USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 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: B 2 SER OG : rot -101:sc= 0.0357 USER MOD Set 1.2: B 5 GLN : amide:sc= 0.0336 K(o=0.069,f=-2.3!) USER MOD Set 2.1: A 2 SER OG : rot -101:sc= 0.0302 USER MOD Set 2.2: A 5 GLN : amide:sc= 0.0284 K(o=0.059,f=-2.1!) USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0127 (180deg=0) USER MOD Single : A 3 MET CE :methyl -166:sc= -0.0818 (180deg=-0.417) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -169:sc= -0.0191 (180deg=-0.172) USER MOD Single : A 15 SER OG : rot 71:sc= 0.871 USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= -0.0463 (180deg=-0.286) USER MOD Single : A 17 ASN : amide:sc= -1.97 K(o=-2,f=-3.4!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.335 X(o=-0.33,f=0.072) USER MOD Single : A 22 ASN : amide:sc= 1.13 K(o=1.1,f=-0.018) USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= -0.0218 (180deg=-0.187) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -138:sc= 0.0132 (180deg=0) USER MOD Single : B 3 MET CE :methyl -167:sc= -0.0754 (180deg=-0.402) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ -169:sc= -0.0212 (180deg=-0.173) USER MOD Single : B 15 SER OG : rot 70:sc= 0.881 USER MOD Single : B 16 LYS NZ :NH3+ 166:sc= -0.0482 (180deg=-0.286) USER MOD Single : B 17 ASN : amide:sc= -1.96 K(o=-2,f=-3.4!) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= -0.355 X(o=-0.35,f=0.079) USER MOD Single : B 22 ASN : amide:sc= 1.17 K(o=1.2,f=-0.033) USER MOD Single : B 28 LYS NZ :NH3+ -166:sc= -0.0221 (180deg=-0.188) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.150 -0.176 -5.275 1.00 0.00 N ATOM 2 CA GLY A 1 24.683 1.212 -5.047 1.00 0.00 C ATOM 3 C GLY A 1 23.175 1.314 -5.107 1.00 0.00 C ATOM 4 O GLY A 1 22.472 0.406 -4.652 1.00 0.00 O ATOM 0 H1 GLY A 1 25.916 -0.398 -4.608 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.360 -0.837 -5.128 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.502 -0.268 -6.249 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.032 1.558 -4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.122 1.871 -5.796 1.00 0.00 H new ATOM 10 N SER A 2 22.684 2.426 -5.654 1.00 0.00 N ATOM 11 CA SER A 2 21.245 2.651 -5.830 1.00 0.00 C ATOM 12 C SER A 2 20.583 2.901 -4.481 1.00 0.00 C ATOM 13 O SER A 2 19.385 2.680 -4.311 1.00 0.00 O ATOM 14 CB SER A 2 20.582 1.462 -6.539 1.00 0.00 C ATOM 15 OG SER A 2 21.176 1.219 -7.805 1.00 0.00 O ATOM 0 H SER A 2 23.267 3.194 -5.987 1.00 0.00 H new ATOM 0 HA SER A 2 21.113 3.533 -6.457 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.669 0.571 -5.917 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.518 1.659 -6.666 1.00 0.00 H new ATOM 0 HG SER A 2 20.606 1.591 -8.510 1.00 0.00 H new ATOM 21 N MET A 3 21.372 3.389 -3.534 1.00 0.00 N ATOM 22 CA MET A 3 20.886 3.666 -2.189 1.00 0.00 C ATOM 23 C MET A 3 19.817 4.749 -2.213 1.00 0.00 C ATOM 24 O MET A 3 18.861 4.716 -1.437 1.00 0.00 O ATOM 25 CB MET A 3 22.043 4.086 -1.287 1.00 0.00 C ATOM 26 CG MET A 3 22.986 2.949 -0.936 1.00 0.00 C ATOM 27 SD MET A 3 22.136 1.543 -0.189 1.00 0.00 S ATOM 28 CE MET A 3 21.387 2.311 1.247 1.00 0.00 C ATOM 0 H MET A 3 22.359 3.603 -3.674 1.00 0.00 H new ATOM 0 HA MET A 3 20.440 2.754 -1.791 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.609 4.876 -1.781 1.00 0.00 H new ATOM 0 HB3 MET A 3 21.640 4.509 -0.367 1.00 0.00 H new ATOM 0 HG2 MET A 3 23.502 2.619 -1.838 1.00 0.00 H new ATOM 0 HG3 MET A 3 23.749 3.314 -0.248 1.00 0.00 H new ATOM 0 HE1 MET A 3 21.042 1.539 1.934 1.00 0.00 H new ATOM 0 HE2 MET A 3 22.122 2.941 1.748 1.00 0.00 H new ATOM 0 HE3 MET A 3 20.540 2.922 0.933 1.00 0.00 H new ATOM 38 N LYS A 4 19.977 5.697 -3.127 1.00 0.00 N ATOM 39 CA LYS A 4 19.006 6.768 -3.293 1.00 0.00 C ATOM 40 C LYS A 4 17.718 6.212 -3.882 1.00 0.00 C ATOM 41 O LYS A 4 16.622 6.641 -3.533 1.00 0.00 O ATOM 42 CB LYS A 4 19.557 7.866 -4.209 1.00 0.00 C ATOM 43 CG LYS A 4 20.728 8.644 -3.629 1.00 0.00 C ATOM 44 CD LYS A 4 21.305 9.601 -4.657 1.00 0.00 C ATOM 45 CE LYS A 4 22.537 10.317 -4.129 1.00 0.00 C ATOM 46 NZ LYS A 4 23.165 11.180 -5.164 1.00 0.00 N ATOM 0 H LYS A 4 20.771 5.745 -3.765 1.00 0.00 H new ATOM 0 HA LYS A 4 18.803 7.201 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.869 7.413 -5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 4 18.753 8.564 -4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.401 9.201 -2.751 1.00 0.00 H new ATOM 0 HG3 LYS A 4 21.501 7.951 -3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.564 9.051 -5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 4 20.549 10.335 -4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 4 22.262 10.926 -3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.262 9.582 -3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 24.002 11.650 -4.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 23.452 10.596 -5.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 22.482 11.898 -5.478 1.00 0.00 H new ATOM 60 N GLN A 5 17.866 5.232 -4.760 1.00 0.00 N ATOM 61 CA GLN A 5 16.725 4.631 -5.431 1.00 0.00 C ATOM 62 C GLN A 5 15.951 3.724 -4.479 1.00 0.00 C ATOM 63 O GLN A 5 14.726 3.778 -4.423 1.00 0.00 O ATOM 64 CB GLN A 5 17.189 3.845 -6.660 1.00 0.00 C ATOM 65 CG GLN A 5 17.919 4.705 -7.681 1.00 0.00 C ATOM 66 CD GLN A 5 18.345 3.930 -8.911 1.00 0.00 C ATOM 67 OE1 GLN A 5 18.627 2.734 -8.840 1.00 0.00 O ATOM 68 NE2 GLN A 5 18.394 4.605 -10.046 1.00 0.00 N ATOM 0 H GLN A 5 18.768 4.835 -5.025 1.00 0.00 H new ATOM 0 HA GLN A 5 16.058 5.429 -5.756 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.846 3.037 -6.339 1.00 0.00 H new ATOM 0 HB3 GLN A 5 16.324 3.383 -7.136 1.00 0.00 H new ATOM 0 HG2 GLN A 5 17.272 5.529 -7.983 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.799 5.146 -7.213 1.00 0.00 H new ATOM 0 HE21 GLN A 5 18.152 5.596 -10.061 1.00 0.00 H new ATOM 0 HE22 GLN A 5 18.674 4.135 -10.907 1.00 0.00 H new ATOM 77 N LEU A 6 16.677 2.911 -3.714 1.00 0.00 N ATOM 78 CA LEU A 6 16.056 1.981 -2.770 1.00 0.00 C ATOM 79 C LEU A 6 15.252 2.716 -1.701 1.00 0.00 C ATOM 80 O LEU A 6 14.131 2.317 -1.378 1.00 0.00 O ATOM 81 CB LEU A 6 17.115 1.088 -2.107 1.00 0.00 C ATOM 82 CG LEU A 6 17.377 -0.261 -2.792 1.00 0.00 C ATOM 83 CD1 LEU A 6 16.134 -1.138 -2.746 1.00 0.00 C ATOM 84 CD2 LEU A 6 17.833 -0.067 -4.229 1.00 0.00 C ATOM 0 H LEU A 6 17.696 2.877 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 6 15.369 1.355 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 6 18.054 1.641 -2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.810 0.898 -1.078 1.00 0.00 H new ATOM 0 HG LEU A 6 18.177 -0.761 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 6 16.341 -2.089 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 6 15.854 -1.319 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 6 15.315 -0.635 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 6 18.011 -1.039 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 6 17.061 0.463 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 6 18.755 0.515 -4.243 1.00 0.00 H new ATOM 96 N GLU A 7 15.812 3.796 -1.162 1.00 0.00 N ATOM 97 CA GLU A 7 15.129 4.556 -0.120 1.00 0.00 C ATOM 98 C GLU A 7 13.902 5.265 -0.688 1.00 0.00 C ATOM 99 O GLU A 7 12.938 5.533 0.026 1.00 0.00 O ATOM 100 CB GLU A 7 16.077 5.570 0.536 1.00 0.00 C ATOM 101 CG GLU A 7 16.530 6.687 -0.391 1.00 0.00 C ATOM 102 CD GLU A 7 17.472 7.662 0.287 1.00 0.00 C ATOM 103 OE1 GLU A 7 18.701 7.499 0.139 1.00 0.00 O ATOM 104 OE2 GLU A 7 16.981 8.589 0.964 1.00 0.00 O ATOM 0 H GLU A 7 16.727 4.161 -1.426 1.00 0.00 H new ATOM 0 HA GLU A 7 14.801 3.853 0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.580 6.009 1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.955 5.042 0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.025 6.254 -1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.657 7.227 -0.757 1.00 0.00 H new ATOM 111 N ASP A 8 13.937 5.553 -1.983 1.00 0.00 N ATOM 112 CA ASP A 8 12.811 6.196 -2.645 1.00 0.00 C ATOM 113 C ASP A 8 11.718 5.189 -2.951 1.00 0.00 C ATOM 114 O ASP A 8 10.543 5.535 -2.956 1.00 0.00 O ATOM 115 CB ASP A 8 13.250 6.898 -3.928 1.00 0.00 C ATOM 116 CG ASP A 8 13.624 8.347 -3.690 1.00 0.00 C ATOM 117 OD1 ASP A 8 12.764 9.223 -3.916 1.00 0.00 O ATOM 118 OD2 ASP A 8 14.769 8.608 -3.272 1.00 0.00 O ATOM 0 H ASP A 8 14.730 5.352 -2.593 1.00 0.00 H new ATOM 0 HA ASP A 8 12.415 6.947 -1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.103 6.370 -4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.445 6.848 -4.661 1.00 0.00 H new ATOM 123 N LYS A 9 12.104 3.942 -3.192 1.00 0.00 N ATOM 124 CA LYS A 9 11.138 2.889 -3.489 1.00 0.00 C ATOM 125 C LYS A 9 10.236 2.624 -2.290 1.00 0.00 C ATOM 126 O LYS A 9 9.012 2.560 -2.426 1.00 0.00 O ATOM 127 CB LYS A 9 11.845 1.598 -3.904 1.00 0.00 C ATOM 128 CG LYS A 9 12.573 1.703 -5.231 1.00 0.00 C ATOM 129 CD LYS A 9 13.239 0.392 -5.608 1.00 0.00 C ATOM 130 CE LYS A 9 13.986 0.508 -6.927 1.00 0.00 C ATOM 131 NZ LYS A 9 13.079 0.832 -8.059 1.00 0.00 N ATOM 0 H LYS A 9 13.077 3.635 -3.188 1.00 0.00 H new ATOM 0 HA LYS A 9 10.523 3.232 -4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.559 1.319 -3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.111 0.795 -3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.869 1.992 -6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.325 2.490 -5.173 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.932 0.095 -4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.486 -0.392 -5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.750 1.281 -6.843 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.502 -0.429 -7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.591 0.719 -8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.261 0.190 -8.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.750 1.814 -7.970 1.00 0.00 H new ATOM 145 N VAL A 10 10.838 2.491 -1.115 1.00 0.00 N ATOM 146 CA VAL A 10 10.077 2.220 0.097 1.00 0.00 C ATOM 147 C VAL A 10 9.172 3.405 0.447 1.00 0.00 C ATOM 148 O VAL A 10 8.051 3.218 0.912 1.00 0.00 O ATOM 149 CB VAL A 10 10.998 1.862 1.293 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.940 3.005 1.636 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.173 1.459 2.507 1.00 0.00 C ATOM 0 H VAL A 10 11.846 2.566 -0.976 1.00 0.00 H new ATOM 0 HA VAL A 10 9.451 1.351 -0.103 1.00 0.00 H new ATOM 0 HB VAL A 10 11.610 1.011 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.569 2.718 2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.568 3.230 0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.359 3.888 1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.839 1.212 3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.525 2.286 2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.563 0.590 2.260 1.00 0.00 H new ATOM 161 N GLU A 11 9.645 4.623 0.189 1.00 0.00 N ATOM 162 CA GLU A 11 8.840 5.818 0.429 1.00 0.00 C ATOM 163 C GLU A 11 7.762 5.964 -0.641 1.00 0.00 C ATOM 164 O GLU A 11 6.661 6.447 -0.366 1.00 0.00 O ATOM 165 CB GLU A 11 9.724 7.064 0.460 1.00 0.00 C ATOM 166 CG GLU A 11 10.673 7.111 1.647 1.00 0.00 C ATOM 167 CD GLU A 11 9.948 7.153 2.979 1.00 0.00 C ATOM 168 OE1 GLU A 11 9.753 8.264 3.511 1.00 0.00 O ATOM 169 OE2 GLU A 11 9.577 6.074 3.487 1.00 0.00 O ATOM 0 H GLU A 11 10.576 4.807 -0.184 1.00 0.00 H new ATOM 0 HA GLU A 11 8.354 5.711 1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.306 7.109 -0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.088 7.949 0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.324 6.237 1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.314 7.989 1.560 1.00 0.00 H new ATOM 176 N GLU A 12 8.092 5.551 -1.857 1.00 0.00 N ATOM 177 CA GLU A 12 7.142 5.557 -2.963 1.00 0.00 C ATOM 178 C GLU A 12 5.913 4.718 -2.627 1.00 0.00 C ATOM 179 O GLU A 12 4.788 5.219 -2.651 1.00 0.00 O ATOM 180 CB GLU A 12 7.809 5.035 -4.240 1.00 0.00 C ATOM 181 CG GLU A 12 6.884 4.988 -5.444 1.00 0.00 C ATOM 182 CD GLU A 12 7.596 4.552 -6.711 1.00 0.00 C ATOM 183 OE1 GLU A 12 7.975 5.433 -7.511 1.00 0.00 O ATOM 184 OE2 GLU A 12 7.776 3.332 -6.902 1.00 0.00 O ATOM 0 H GLU A 12 9.019 5.204 -2.105 1.00 0.00 H new ATOM 0 HA GLU A 12 6.819 6.585 -3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.664 5.668 -4.476 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.196 4.033 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.062 4.302 -5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.445 5.974 -5.599 1.00 0.00 H new ATOM 191 N LEU A 13 6.120 3.443 -2.312 1.00 0.00 N ATOM 192 CA LEU A 13 4.998 2.576 -1.952 1.00 0.00 C ATOM 193 C LEU A 13 4.404 2.931 -0.591 1.00 0.00 C ATOM 194 O LEU A 13 3.240 2.636 -0.338 1.00 0.00 O ATOM 195 CB LEU A 13 5.357 1.087 -2.011 1.00 0.00 C ATOM 196 CG LEU A 13 5.476 0.528 -3.429 1.00 0.00 C ATOM 197 CD1 LEU A 13 6.845 0.822 -4.021 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.183 -0.963 -3.446 1.00 0.00 C ATOM 0 H LEU A 13 7.035 2.992 -2.298 1.00 0.00 H new ATOM 0 HA LEU A 13 4.235 2.758 -2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.302 0.931 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.599 0.520 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 13 4.732 1.026 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.901 0.413 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.002 1.900 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.616 0.364 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.273 -1.340 -4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.895 -1.481 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.171 -1.139 -3.082 1.00 0.00 H new ATOM 210 N LEU A 14 5.191 3.566 0.276 1.00 0.00 N ATOM 211 CA LEU A 14 4.669 4.102 1.529 1.00 0.00 C ATOM 212 C LEU A 14 3.599 5.150 1.221 1.00 0.00 C ATOM 213 O LEU A 14 2.556 5.217 1.876 1.00 0.00 O ATOM 214 CB LEU A 14 5.833 4.684 2.362 1.00 0.00 C ATOM 215 CG LEU A 14 5.504 5.289 3.737 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.866 6.661 3.604 1.00 0.00 C ATOM 217 CD2 LEU A 14 4.615 4.357 4.550 1.00 0.00 C ATOM 0 H LEU A 14 6.189 3.721 0.133 1.00 0.00 H new ATOM 0 HA LEU A 14 4.202 3.314 2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.565 3.891 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.318 5.456 1.765 1.00 0.00 H new ATOM 0 HG LEU A 14 6.446 5.411 4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.647 7.058 4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.552 7.333 3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.941 6.578 3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.399 4.812 5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.682 4.185 4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.127 3.407 4.702 1.00 0.00 H new ATOM 229 N SER A 15 3.866 5.962 0.209 1.00 0.00 N ATOM 230 CA SER A 15 2.899 6.934 -0.270 1.00 0.00 C ATOM 231 C SER A 15 1.779 6.225 -1.032 1.00 0.00 C ATOM 232 O SER A 15 0.616 6.635 -0.979 1.00 0.00 O ATOM 233 CB SER A 15 3.591 7.958 -1.170 1.00 0.00 C ATOM 234 OG SER A 15 4.711 8.539 -0.518 1.00 0.00 O ATOM 0 H SER A 15 4.751 5.965 -0.298 1.00 0.00 H new ATOM 0 HA SER A 15 2.464 7.456 0.583 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.913 7.476 -2.093 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.883 8.739 -1.448 1.00 0.00 H new ATOM 0 HG SER A 15 5.428 7.875 -0.445 1.00 0.00 H new ATOM 240 N LYS A 16 2.142 5.151 -1.728 1.00 0.00 N ATOM 241 CA LYS A 16 1.185 4.357 -2.489 1.00 0.00 C ATOM 242 C LYS A 16 0.118 3.756 -1.577 1.00 0.00 C ATOM 243 O LYS A 16 -1.077 3.970 -1.792 1.00 0.00 O ATOM 244 CB LYS A 16 1.920 3.244 -3.237 1.00 0.00 C ATOM 245 CG LYS A 16 1.045 2.432 -4.175 1.00 0.00 C ATOM 246 CD LYS A 16 1.858 1.351 -4.873 1.00 0.00 C ATOM 247 CE LYS A 16 1.020 0.566 -5.868 1.00 0.00 C ATOM 248 NZ LYS A 16 0.472 1.436 -6.941 1.00 0.00 N ATOM 0 H LYS A 16 3.102 4.809 -1.780 1.00 0.00 H new ATOM 0 HA LYS A 16 0.687 5.012 -3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.734 3.686 -3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.372 2.571 -2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.230 1.975 -3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.592 3.089 -4.917 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.702 1.808 -5.390 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.271 0.670 -4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.629 -0.220 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.200 0.076 -5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.113 0.845 -7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.304 2.013 -6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.223 2.060 -7.299 1.00 0.00 H new ATOM 262 N ASN A 17 0.545 3.022 -0.549 1.00 0.00 N ATOM 263 CA ASN A 17 -0.394 2.373 0.359 1.00 0.00 C ATOM 264 C ASN A 17 -1.145 3.410 1.186 1.00 0.00 C ATOM 265 O ASN A 17 -2.236 3.145 1.679 1.00 0.00 O ATOM 266 CB ASN A 17 0.309 1.361 1.282 1.00 0.00 C ATOM 267 CG ASN A 17 1.104 2.007 2.405 1.00 0.00 C ATOM 268 OD1 ASN A 17 2.284 2.298 2.260 1.00 0.00 O ATOM 269 ND2 ASN A 17 0.464 2.213 3.545 1.00 0.00 N ATOM 0 H ASN A 17 1.528 2.864 -0.327 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.109 1.822 -0.252 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.439 0.696 1.714 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.978 0.742 0.685 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.955 2.627 4.338 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.520 1.958 3.631 1.00 0.00 H new ATOM 276 N TYR A 18 -0.562 4.593 1.327 1.00 0.00 N ATOM 277 CA TYR A 18 -1.221 5.684 2.030 1.00 0.00 C ATOM 278 C TYR A 18 -2.476 6.118 1.277 1.00 0.00 C ATOM 279 O TYR A 18 -3.568 6.178 1.844 1.00 0.00 O ATOM 280 CB TYR A 18 -0.268 6.871 2.200 1.00 0.00 C ATOM 281 CG TYR A 18 -0.921 8.084 2.821 1.00 0.00 C ATOM 282 CD1 TYR A 18 -1.181 9.219 2.065 1.00 0.00 C ATOM 283 CD2 TYR A 18 -1.290 8.087 4.159 1.00 0.00 C ATOM 284 CE1 TYR A 18 -1.789 10.322 2.624 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.897 9.190 4.727 1.00 0.00 C ATOM 286 CZ TYR A 18 -2.145 10.304 3.954 1.00 0.00 C ATOM 287 OH TYR A 18 -2.757 11.402 4.510 1.00 0.00 O ATOM 0 H TYR A 18 0.364 4.821 0.965 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.510 5.330 3.019 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.575 6.564 2.820 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.136 7.145 1.225 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.902 9.238 1.022 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.100 7.214 4.765 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.985 11.197 2.022 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.176 9.180 5.770 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.944 11.228 5.456 1.00 0.00 H new ATOM 297 N HIS A 19 -2.319 6.400 -0.010 1.00 0.00 N ATOM 298 CA HIS A 19 -3.444 6.816 -0.840 1.00 0.00 C ATOM 299 C HIS A 19 -4.427 5.670 -1.021 1.00 0.00 C ATOM 300 O HIS A 19 -5.638 5.879 -1.083 1.00 0.00 O ATOM 301 CB HIS A 19 -2.965 7.310 -2.207 1.00 0.00 C ATOM 302 CG HIS A 19 -2.367 8.682 -2.183 1.00 0.00 C ATOM 303 ND1 HIS A 19 -2.978 9.777 -2.754 1.00 0.00 N ATOM 304 CD2 HIS A 19 -1.203 9.136 -1.661 1.00 0.00 C ATOM 305 CE1 HIS A 19 -2.218 10.842 -2.582 1.00 0.00 C ATOM 306 NE2 HIS A 19 -1.136 10.480 -1.923 1.00 0.00 N ATOM 0 H HIS A 19 -1.427 6.349 -0.501 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.947 7.638 -0.331 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.226 6.610 -2.597 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.807 7.304 -2.900 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.465 8.548 -1.136 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.445 11.841 -2.924 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.372 11.099 -1.652 1.00 0.00 H new ATOM 315 N LEU A 20 -3.895 4.460 -1.084 1.00 0.00 N ATOM 316 CA LEU A 20 -4.698 3.273 -1.274 1.00 0.00 C ATOM 317 C LEU A 20 -5.514 2.964 -0.015 1.00 0.00 C ATOM 318 O LEU A 20 -6.638 2.472 -0.097 1.00 0.00 O ATOM 319 CB LEU A 20 -3.775 2.112 -1.636 1.00 0.00 C ATOM 320 CG LEU A 20 -4.465 0.799 -1.975 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.382 0.963 -3.178 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.429 -0.281 -2.234 1.00 0.00 C ATOM 0 H LEU A 20 -2.895 4.278 -1.004 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.408 3.433 -2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.164 2.410 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.095 1.939 -0.802 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.078 0.500 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.864 0.011 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.143 1.711 -2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.797 1.284 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.932 -1.217 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.794 0.016 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.816 -0.418 -1.343 1.00 0.00 H new ATOM 334 N GLU A 21 -4.951 3.270 1.151 1.00 0.00 N ATOM 335 CA GLU A 21 -5.670 3.107 2.413 1.00 0.00 C ATOM 336 C GLU A 21 -6.826 4.099 2.482 1.00 0.00 C ATOM 337 O GLU A 21 -7.914 3.776 2.967 1.00 0.00 O ATOM 338 CB GLU A 21 -4.729 3.309 3.605 1.00 0.00 C ATOM 339 CG GLU A 21 -5.378 3.019 4.949 1.00 0.00 C ATOM 340 CD GLU A 21 -4.443 3.266 6.118 1.00 0.00 C ATOM 341 OE1 GLU A 21 -4.502 4.366 6.703 1.00 0.00 O ATOM 342 OE2 GLU A 21 -3.651 2.358 6.446 1.00 0.00 O ATOM 0 H GLU A 21 -4.002 3.631 1.249 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.065 2.092 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.859 2.663 3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.366 4.337 3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.265 3.642 5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.712 1.982 4.970 1.00 0.00 H new ATOM 349 N ASN A 22 -6.586 5.302 1.972 1.00 0.00 N ATOM 350 CA ASN A 22 -7.620 6.327 1.903 1.00 0.00 C ATOM 351 C ASN A 22 -8.710 5.921 0.914 1.00 0.00 C ATOM 352 O ASN A 22 -9.841 6.403 0.973 1.00 0.00 O ATOM 353 CB ASN A 22 -7.016 7.679 1.506 1.00 0.00 C ATOM 354 CG ASN A 22 -6.402 8.412 2.686 1.00 0.00 C ATOM 355 OD1 ASN A 22 -7.072 9.195 3.362 1.00 0.00 O ATOM 356 ND2 ASN A 22 -5.129 8.170 2.947 1.00 0.00 N ATOM 0 H ASN A 22 -5.682 5.591 1.599 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.068 6.427 2.892 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.253 7.522 0.743 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.791 8.302 1.059 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.671 8.638 3.729 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.605 7.516 2.366 1.00 0.00 H new ATOM 363 N GLU A 23 -8.361 5.003 0.020 1.00 0.00 N ATOM 364 CA GLU A 23 -9.284 4.508 -0.989 1.00 0.00 C ATOM 365 C GLU A 23 -10.290 3.546 -0.358 1.00 0.00 C ATOM 366 O GLU A 23 -11.477 3.579 -0.681 1.00 0.00 O ATOM 367 CB GLU A 23 -8.500 3.818 -2.113 1.00 0.00 C ATOM 368 CG GLU A 23 -9.362 3.263 -3.235 1.00 0.00 C ATOM 369 CD GLU A 23 -10.074 4.336 -4.031 1.00 0.00 C ATOM 370 OE1 GLU A 23 -9.428 4.960 -4.898 1.00 0.00 O ATOM 371 OE2 GLU A 23 -11.280 4.547 -3.793 1.00 0.00 O ATOM 0 H GLU A 23 -7.432 4.583 -0.024 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.837 5.346 -1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.792 4.531 -2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.916 3.004 -1.684 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.737 2.676 -3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.102 2.583 -2.813 1.00 0.00 H new ATOM 378 N VAL A 24 -9.813 2.709 0.560 1.00 0.00 N ATOM 379 CA VAL A 24 -10.689 1.767 1.252 1.00 0.00 C ATOM 380 C VAL A 24 -11.663 2.524 2.146 1.00 0.00 C ATOM 381 O VAL A 24 -12.849 2.200 2.213 1.00 0.00 O ATOM 382 CB VAL A 24 -9.907 0.762 2.134 1.00 0.00 C ATOM 383 CG1 VAL A 24 -10.836 -0.332 2.645 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.735 0.149 1.385 1.00 0.00 C ATOM 0 H VAL A 24 -8.833 2.663 0.840 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.216 1.208 0.479 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.505 1.314 2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.271 -1.030 3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.633 0.115 3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.270 -0.865 1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.212 -0.550 2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.102 -0.380 0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.049 0.937 1.074 1.00 0.00 H new ATOM 394 N ALA A 25 -11.151 3.558 2.807 1.00 0.00 N ATOM 395 CA ALA A 25 -11.931 4.314 3.780 1.00 0.00 C ATOM 396 C ALA A 25 -13.160 4.958 3.151 1.00 0.00 C ATOM 397 O ALA A 25 -14.239 4.954 3.748 1.00 0.00 O ATOM 398 CB ALA A 25 -11.073 5.373 4.448 1.00 0.00 C ATOM 0 H ALA A 25 -10.195 3.892 2.685 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.276 3.606 4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.674 5.926 5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.238 4.895 4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.690 6.060 3.693 1.00 0.00 H new ATOM 404 N ARG A 26 -13.012 5.514 1.949 1.00 0.00 N ATOM 405 CA ARG A 26 -14.145 6.135 1.290 1.00 0.00 C ATOM 406 C ARG A 26 -15.204 5.107 0.920 1.00 0.00 C ATOM 407 O ARG A 26 -16.395 5.362 1.094 1.00 0.00 O ATOM 408 CB ARG A 26 -13.738 6.965 0.067 1.00 0.00 C ATOM 409 CG ARG A 26 -12.549 6.451 -0.732 1.00 0.00 C ATOM 410 CD ARG A 26 -12.409 7.259 -2.014 1.00 0.00 C ATOM 411 NE ARG A 26 -11.030 7.370 -2.484 1.00 0.00 N ATOM 412 CZ ARG A 26 -10.700 7.836 -3.692 1.00 0.00 C ATOM 413 NH1 ARG A 26 -11.651 8.180 -4.554 1.00 0.00 N ATOM 414 NH2 ARG A 26 -9.425 7.963 -4.038 1.00 0.00 N ATOM 0 H ARG A 26 -12.137 5.544 1.426 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.577 6.828 2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.596 7.032 -0.602 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.514 7.978 0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.638 6.530 -0.139 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.685 5.396 -0.968 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.014 6.797 -2.794 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.810 8.259 -1.850 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.280 7.077 -1.858 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.633 8.088 -4.293 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.399 8.536 -5.476 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.690 7.704 -3.380 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.180 8.319 -4.962 1.00 0.00 H new ATOM 428 N LEU A 27 -14.788 3.943 0.434 1.00 0.00 N ATOM 429 CA LEU A 27 -15.748 2.884 0.127 1.00 0.00 C ATOM 430 C LEU A 27 -16.454 2.413 1.391 1.00 0.00 C ATOM 431 O LEU A 27 -17.639 2.093 1.361 1.00 0.00 O ATOM 432 CB LEU A 27 -15.093 1.689 -0.570 1.00 0.00 C ATOM 433 CG LEU A 27 -14.889 1.832 -2.082 1.00 0.00 C ATOM 434 CD1 LEU A 27 -13.993 3.014 -2.419 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.322 0.552 -2.665 1.00 0.00 C ATOM 0 H LEU A 27 -13.813 3.709 0.246 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.477 3.314 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.123 1.508 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.704 0.805 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.865 2.020 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.872 3.082 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.446 3.932 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.017 2.876 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.184 0.672 -3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.362 0.333 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.012 -0.270 -2.477 1.00 0.00 H new ATOM 447 N LYS A 28 -15.721 2.383 2.501 1.00 0.00 N ATOM 448 CA LYS A 28 -16.289 2.006 3.789 1.00 0.00 C ATOM 449 C LYS A 28 -17.486 2.894 4.137 1.00 0.00 C ATOM 450 O LYS A 28 -18.474 2.426 4.705 1.00 0.00 O ATOM 451 CB LYS A 28 -15.218 2.106 4.883 1.00 0.00 C ATOM 452 CG LYS A 28 -15.641 1.521 6.222 1.00 0.00 C ATOM 453 CD LYS A 28 -15.913 0.028 6.115 1.00 0.00 C ATOM 454 CE LYS A 28 -16.269 -0.578 7.464 1.00 0.00 C ATOM 455 NZ LYS A 28 -15.142 -0.490 8.429 1.00 0.00 N ATOM 0 H LYS A 28 -14.729 2.617 2.532 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.638 0.975 3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.318 1.594 4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.954 3.154 5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.860 1.698 6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.537 2.031 6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.729 -0.144 5.413 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.034 -0.474 5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.138 -0.064 7.874 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.550 -1.622 7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.331 -1.112 9.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.261 -0.787 7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.044 0.491 8.760 1.00 0.00 H new ATOM 469 N LYS A 29 -17.398 4.172 3.777 1.00 0.00 N ATOM 470 CA LYS A 29 -18.480 5.113 4.010 1.00 0.00 C ATOM 471 C LYS A 29 -19.628 4.882 3.037 1.00 0.00 C ATOM 472 O LYS A 29 -20.793 5.072 3.381 1.00 0.00 O ATOM 473 CB LYS A 29 -17.969 6.544 3.873 1.00 0.00 C ATOM 474 CG LYS A 29 -16.945 6.935 4.925 1.00 0.00 C ATOM 475 CD LYS A 29 -17.546 6.906 6.319 1.00 0.00 C ATOM 476 CE LYS A 29 -16.544 7.347 7.370 1.00 0.00 C ATOM 477 NZ LYS A 29 -17.137 7.345 8.731 1.00 0.00 N ATOM 0 H LYS A 29 -16.581 4.578 3.320 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.851 4.955 5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.526 6.668 2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.815 7.229 3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.095 6.254 4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.565 7.934 4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -18.419 7.557 6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -17.891 5.897 6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.679 6.684 7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.184 8.348 7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.422 7.652 9.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.947 7.997 8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -17.458 6.385 8.968 1.00 0.00 H new ATOM 491 N LEU A 30 -19.297 4.477 1.818 1.00 0.00 N ATOM 492 CA LEU A 30 -20.311 4.172 0.814 1.00 0.00 C ATOM 493 C LEU A 30 -21.086 2.919 1.204 1.00 0.00 C ATOM 494 O LEU A 30 -22.278 2.798 0.916 1.00 0.00 O ATOM 495 CB LEU A 30 -19.679 3.998 -0.572 1.00 0.00 C ATOM 496 CG LEU A 30 -19.559 5.277 -1.413 1.00 0.00 C ATOM 497 CD1 LEU A 30 -18.701 6.319 -0.716 1.00 0.00 C ATOM 498 CD2 LEU A 30 -18.988 4.957 -2.783 1.00 0.00 C ATOM 0 H LEU A 30 -18.336 4.352 1.500 1.00 0.00 H new ATOM 0 HA LEU A 30 -21.003 5.013 0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.683 3.573 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.268 3.271 -1.131 1.00 0.00 H new ATOM 0 HG LEU A 30 -20.560 5.692 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -18.636 7.212 -1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -19.149 6.577 0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -17.701 5.917 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.909 5.874 -3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -17.999 4.512 -2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -19.645 4.255 -3.296 1.00 0.00 H new ATOM 510 N VAL A 31 -20.406 1.994 1.871 1.00 0.00 N ATOM 511 CA VAL A 31 -21.050 0.783 2.366 1.00 0.00 C ATOM 512 C VAL A 31 -21.798 1.081 3.668 1.00 0.00 C ATOM 513 O VAL A 31 -22.811 0.450 3.976 1.00 0.00 O ATOM 514 CB VAL A 31 -20.030 -0.361 2.600 1.00 0.00 C ATOM 515 CG1 VAL A 31 -20.737 -1.637 3.034 1.00 0.00 C ATOM 516 CG2 VAL A 31 -19.211 -0.616 1.346 1.00 0.00 C ATOM 0 H VAL A 31 -19.410 2.059 2.081 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.754 0.452 1.603 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.356 -0.051 3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -20.001 -2.425 3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -21.279 -1.455 3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -21.438 -1.946 2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.502 -1.422 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.875 -0.898 0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.668 0.290 1.076 1.00 0.00 H new ATOM 526 N GLY A 32 -21.307 2.067 4.412 1.00 0.00 N ATOM 527 CA GLY A 32 -21.914 2.415 5.681 1.00 0.00 C ATOM 528 C GLY A 32 -23.146 3.274 5.506 1.00 0.00 C ATOM 529 O GLY A 32 -24.210 2.945 6.025 1.00 0.00 O ATOM 0 H GLY A 32 -20.497 2.632 4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -22.181 1.504 6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -21.187 2.945 6.297 1.00 0.00 H new ATOM 533 N GLU A 33 -22.992 4.371 4.768 1.00 0.00 N ATOM 534 CA GLU A 33 -24.088 5.291 4.481 1.00 0.00 C ATOM 535 C GLU A 33 -24.685 5.838 5.776 1.00 0.00 C ATOM 536 O GLU A 33 -24.074 6.753 6.363 1.00 0.00 O ATOM 537 CB GLU A 33 -25.164 4.599 3.630 1.00 0.00 C ATOM 538 CG GLU A 33 -26.245 5.537 3.115 1.00 0.00 C ATOM 539 CD GLU A 33 -25.696 6.621 2.204 1.00 0.00 C ATOM 540 OE1 GLU A 33 -25.473 7.750 2.690 1.00 0.00 O ATOM 541 OE2 GLU A 33 -25.485 6.340 1.008 1.00 0.00 O ATOM 542 OXT GLU A 33 -25.753 5.356 6.203 1.00 0.00 O ATOM 0 H GLU A 33 -22.102 4.647 4.352 1.00 0.00 H new ATOM 0 HA GLU A 33 -23.692 6.131 3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -24.684 4.114 2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -25.632 3.813 4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -26.994 4.959 2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -26.751 6.001 3.962 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 25.180 -0.022 4.545 1.00 0.00 N ATOM 551 CA GLY B 1 24.717 -1.413 4.329 1.00 0.00 C ATOM 552 C GLY B 1 23.209 -1.518 4.385 1.00 0.00 C ATOM 553 O GLY B 1 22.509 -0.619 3.915 1.00 0.00 O ATOM 0 H1 GLY B 1 25.948 0.196 3.878 1.00 0.00 H new ATOM 0 H2 GLY B 1 24.389 0.635 4.389 1.00 0.00 H new ATOM 0 H3 GLY B 1 25.528 0.081 5.520 1.00 0.00 H new ATOM 0 HA2 GLY B 1 25.070 -1.768 3.361 1.00 0.00 H new ATOM 0 HA3 GLY B 1 25.155 -2.064 5.086 1.00 0.00 H new ATOM 559 N SER B 2 22.714 -2.622 4.951 1.00 0.00 N ATOM 560 CA SER B 2 21.273 -2.839 5.131 1.00 0.00 C ATOM 561 C SER B 2 20.599 -3.092 3.790 1.00 0.00 C ATOM 562 O SER B 2 19.399 -2.877 3.628 1.00 0.00 O ATOM 563 CB SER B 2 20.623 -1.642 5.840 1.00 0.00 C ATOM 564 OG SER B 2 21.230 -1.403 7.100 1.00 0.00 O ATOM 0 H SER B 2 23.295 -3.386 5.296 1.00 0.00 H new ATOM 0 HA SER B 2 21.140 -3.720 5.758 1.00 0.00 H new ATOM 0 HB2 SER B 2 20.712 -0.753 5.215 1.00 0.00 H new ATOM 0 HB3 SER B 2 19.558 -1.830 5.976 1.00 0.00 H new ATOM 0 HG SER B 2 20.663 -1.769 7.811 1.00 0.00 H new ATOM 570 N MET B 3 21.382 -3.589 2.842 1.00 0.00 N ATOM 571 CA MET B 3 20.892 -3.869 1.501 1.00 0.00 C ATOM 572 C MET B 3 19.824 -4.950 1.536 1.00 0.00 C ATOM 573 O MET B 3 18.866 -4.924 0.761 1.00 0.00 O ATOM 574 CB MET B 3 22.046 -4.299 0.601 1.00 0.00 C ATOM 575 CG MET B 3 22.990 -3.167 0.235 1.00 0.00 C ATOM 576 SD MET B 3 22.144 -1.766 -0.523 1.00 0.00 S ATOM 577 CE MET B 3 21.380 -2.544 -1.944 1.00 0.00 C ATOM 0 H MET B 3 22.369 -3.808 2.980 1.00 0.00 H new ATOM 0 HA MET B 3 20.448 -2.959 1.098 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.612 -5.085 1.101 1.00 0.00 H new ATOM 0 HB3 MET B 3 21.640 -4.732 -0.313 1.00 0.00 H new ATOM 0 HG2 MET B 3 23.510 -2.829 1.132 1.00 0.00 H new ATOM 0 HG3 MET B 3 23.749 -3.541 -0.452 1.00 0.00 H new ATOM 0 HE1 MET B 3 21.020 -1.777 -2.629 1.00 0.00 H new ATOM 0 HE2 MET B 3 22.112 -3.170 -2.453 1.00 0.00 H new ATOM 0 HE3 MET B 3 20.542 -3.159 -1.615 1.00 0.00 H new ATOM 587 N LYS B 4 19.989 -5.892 2.453 1.00 0.00 N ATOM 588 CA LYS B 4 19.016 -6.960 2.633 1.00 0.00 C ATOM 589 C LYS B 4 17.731 -6.393 3.221 1.00 0.00 C ATOM 590 O LYS B 4 16.632 -6.817 2.873 1.00 0.00 O ATOM 591 CB LYS B 4 19.565 -8.052 3.555 1.00 0.00 C ATOM 592 CG LYS B 4 20.731 -8.837 2.974 1.00 0.00 C ATOM 593 CD LYS B 4 21.305 -9.793 4.004 1.00 0.00 C ATOM 594 CE LYS B 4 22.531 -10.514 3.478 1.00 0.00 C ATOM 595 NZ LYS B 4 23.153 -11.377 4.516 1.00 0.00 N ATOM 0 H LYS B 4 20.788 -5.939 3.085 1.00 0.00 H new ATOM 0 HA LYS B 4 18.810 -7.403 1.658 1.00 0.00 H new ATOM 0 HB2 LYS B 4 19.882 -7.594 4.492 1.00 0.00 H new ATOM 0 HB3 LYS B 4 18.760 -8.746 3.796 1.00 0.00 H new ATOM 0 HG2 LYS B 4 20.399 -9.395 2.099 1.00 0.00 H new ATOM 0 HG3 LYS B 4 21.507 -8.149 2.638 1.00 0.00 H new ATOM 0 HD2 LYS B 4 21.567 -9.241 4.907 1.00 0.00 H new ATOM 0 HD3 LYS B 4 20.546 -10.523 4.286 1.00 0.00 H new ATOM 0 HE2 LYS B 4 22.253 -11.123 2.618 1.00 0.00 H new ATOM 0 HE3 LYS B 4 23.260 -9.783 3.129 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 23.988 -11.853 4.118 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 23.441 -10.792 5.326 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 22.466 -12.091 4.831 1.00 0.00 H new ATOM 609 N GLN B 5 17.884 -5.410 4.094 1.00 0.00 N ATOM 610 CA GLN B 5 16.749 -4.803 4.768 1.00 0.00 C ATOM 611 C GLN B 5 15.973 -3.900 3.815 1.00 0.00 C ATOM 612 O GLN B 5 14.745 -3.948 3.774 1.00 0.00 O ATOM 613 CB GLN B 5 17.219 -4.012 5.990 1.00 0.00 C ATOM 614 CG GLN B 5 17.944 -4.868 7.016 1.00 0.00 C ATOM 615 CD GLN B 5 18.387 -4.083 8.234 1.00 0.00 C ATOM 616 OE1 GLN B 5 18.683 -2.890 8.149 1.00 0.00 O ATOM 617 NE2 GLN B 5 18.435 -4.747 9.378 1.00 0.00 N ATOM 0 H GLN B 5 18.788 -5.015 4.353 1.00 0.00 H new ATOM 0 HA GLN B 5 16.082 -5.598 5.101 1.00 0.00 H new ATOM 0 HB2 GLN B 5 17.881 -3.210 5.663 1.00 0.00 H new ATOM 0 HB3 GLN B 5 16.357 -3.541 6.463 1.00 0.00 H new ATOM 0 HG2 GLN B 5 17.289 -5.680 7.332 1.00 0.00 H new ATOM 0 HG3 GLN B 5 18.816 -5.326 6.549 1.00 0.00 H new ATOM 0 HE21 GLN B 5 18.182 -5.735 9.405 1.00 0.00 H new ATOM 0 HE22 GLN B 5 18.725 -4.271 10.232 1.00 0.00 H new ATOM 626 N LEU B 6 16.694 -3.094 3.040 1.00 0.00 N ATOM 627 CA LEU B 6 16.071 -2.165 2.096 1.00 0.00 C ATOM 628 C LEU B 6 15.257 -2.902 1.035 1.00 0.00 C ATOM 629 O LEU B 6 14.136 -2.503 0.716 1.00 0.00 O ATOM 630 CB LEU B 6 17.130 -1.281 1.424 1.00 0.00 C ATOM 631 CG LEU B 6 17.400 0.072 2.099 1.00 0.00 C ATOM 632 CD1 LEU B 6 16.160 0.953 2.052 1.00 0.00 C ATOM 633 CD2 LEU B 6 17.862 -0.115 3.537 1.00 0.00 C ATOM 0 H LEU B 6 17.714 -3.064 3.046 1.00 0.00 H new ATOM 0 HA LEU B 6 15.390 -1.533 2.666 1.00 0.00 H new ATOM 0 HB2 LEU B 6 18.066 -1.837 1.382 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.822 -1.097 0.395 1.00 0.00 H new ATOM 0 HG LEU B 6 18.199 0.566 1.547 1.00 0.00 H new ATOM 0 HD11 LEU B 6 16.373 1.907 2.535 1.00 0.00 H new ATOM 0 HD12 LEU B 6 15.877 1.128 1.014 1.00 0.00 H new ATOM 0 HD13 LEU B 6 15.341 0.457 2.573 1.00 0.00 H new ATOM 0 HD21 LEU B 6 18.046 0.859 3.990 1.00 0.00 H new ATOM 0 HD22 LEU B 6 17.090 -0.638 4.102 1.00 0.00 H new ATOM 0 HD23 LEU B 6 18.781 -0.700 3.551 1.00 0.00 H new ATOM 645 N GLU B 7 15.813 -3.986 0.499 1.00 0.00 N ATOM 646 CA GLU B 7 15.124 -4.751 -0.536 1.00 0.00 C ATOM 647 C GLU B 7 13.897 -5.453 0.042 1.00 0.00 C ATOM 648 O GLU B 7 12.928 -5.720 -0.666 1.00 0.00 O ATOM 649 CB GLU B 7 16.066 -5.770 -1.190 1.00 0.00 C ATOM 650 CG GLU B 7 16.517 -6.887 -0.264 1.00 0.00 C ATOM 651 CD GLU B 7 17.452 -7.866 -0.945 1.00 0.00 C ATOM 652 OE1 GLU B 7 18.682 -7.690 -0.824 1.00 0.00 O ATOM 653 OE2 GLU B 7 16.956 -8.806 -1.600 1.00 0.00 O ATOM 0 H GLU B 7 16.729 -4.351 0.761 1.00 0.00 H new ATOM 0 HA GLU B 7 14.795 -4.053 -1.306 1.00 0.00 H new ATOM 0 HB2 GLU B 7 15.565 -6.209 -2.053 1.00 0.00 H new ATOM 0 HB3 GLU B 7 16.946 -5.246 -1.564 1.00 0.00 H new ATOM 0 HG2 GLU B 7 17.017 -6.456 0.603 1.00 0.00 H new ATOM 0 HG3 GLU B 7 15.643 -7.423 0.106 1.00 0.00 H new ATOM 660 N ASP B 8 13.939 -5.738 1.337 1.00 0.00 N ATOM 661 CA ASP B 8 12.815 -6.372 2.007 1.00 0.00 C ATOM 662 C ASP B 8 11.724 -5.358 2.309 1.00 0.00 C ATOM 663 O ASP B 8 10.549 -5.700 2.314 1.00 0.00 O ATOM 664 CB ASP B 8 13.257 -7.065 3.295 1.00 0.00 C ATOM 665 CG ASP B 8 13.628 -8.515 3.066 1.00 0.00 C ATOM 666 OD1 ASP B 8 12.772 -9.391 3.309 1.00 0.00 O ATOM 667 OD2 ASP B 8 14.770 -8.778 2.638 1.00 0.00 O ATOM 0 H ASP B 8 14.737 -5.540 1.941 1.00 0.00 H new ATOM 0 HA ASP B 8 12.414 -7.128 1.331 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.112 -6.535 3.716 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.454 -7.009 4.030 1.00 0.00 H new ATOM 672 N LYS B 9 12.116 -4.111 2.542 1.00 0.00 N ATOM 673 CA LYS B 9 11.154 -3.054 2.837 1.00 0.00 C ATOM 674 C LYS B 9 10.249 -2.795 1.641 1.00 0.00 C ATOM 675 O LYS B 9 9.028 -2.730 1.781 1.00 0.00 O ATOM 676 CB LYS B 9 11.868 -1.762 3.242 1.00 0.00 C ATOM 677 CG LYS B 9 12.603 -1.859 4.567 1.00 0.00 C ATOM 678 CD LYS B 9 13.273 -0.547 4.933 1.00 0.00 C ATOM 679 CE LYS B 9 14.025 -0.657 6.249 1.00 0.00 C ATOM 680 NZ LYS B 9 13.121 -0.971 7.389 1.00 0.00 N ATOM 0 H LYS B 9 13.090 -3.807 2.533 1.00 0.00 H new ATOM 0 HA LYS B 9 10.540 -3.389 3.673 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.579 -1.490 2.462 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.136 -0.956 3.301 1.00 0.00 H new ATOM 0 HG2 LYS B 9 11.902 -2.142 5.352 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.353 -2.648 4.510 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.963 -0.256 4.141 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.522 0.239 5.006 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.786 -1.433 6.167 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.545 0.280 6.448 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 13.637 -0.854 8.284 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 12.305 -0.326 7.373 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.788 -1.953 7.308 1.00 0.00 H new ATOM 694 N VAL B 10 10.848 -2.668 0.463 1.00 0.00 N ATOM 695 CA VAL B 10 10.083 -2.401 -0.745 1.00 0.00 C ATOM 696 C VAL B 10 9.173 -3.586 -1.088 1.00 0.00 C ATOM 697 O VAL B 10 8.054 -3.397 -1.559 1.00 0.00 O ATOM 698 CB VAL B 10 11.000 -2.053 -1.945 1.00 0.00 C ATOM 699 CG1 VAL B 10 11.934 -3.202 -2.288 1.00 0.00 C ATOM 700 CG2 VAL B 10 10.174 -1.654 -3.158 1.00 0.00 C ATOM 0 H VAL B 10 11.855 -2.745 0.320 1.00 0.00 H new ATOM 0 HA VAL B 10 9.459 -1.530 -0.546 1.00 0.00 H new ATOM 0 HB VAL B 10 11.616 -1.203 -1.650 1.00 0.00 H new ATOM 0 HG11 VAL B 10 12.561 -2.921 -3.134 1.00 0.00 H new ATOM 0 HG12 VAL B 10 12.565 -3.428 -1.428 1.00 0.00 H new ATOM 0 HG13 VAL B 10 11.347 -4.083 -2.548 1.00 0.00 H new ATOM 0 HG21 VAL B 10 10.839 -1.414 -3.988 1.00 0.00 H new ATOM 0 HG22 VAL B 10 9.522 -2.480 -3.442 1.00 0.00 H new ATOM 0 HG23 VAL B 10 9.568 -0.781 -2.915 1.00 0.00 H new ATOM 710 N GLU B 11 9.642 -4.801 -0.817 1.00 0.00 N ATOM 711 CA GLU B 11 8.836 -5.999 -1.051 1.00 0.00 C ATOM 712 C GLU B 11 7.759 -6.137 0.020 1.00 0.00 C ATOM 713 O GLU B 11 6.655 -6.616 -0.250 1.00 0.00 O ATOM 714 CB GLU B 11 9.721 -7.247 -1.077 1.00 0.00 C ATOM 715 CG GLU B 11 10.655 -7.311 -2.276 1.00 0.00 C ATOM 716 CD GLU B 11 9.911 -7.361 -3.597 1.00 0.00 C ATOM 717 OE1 GLU B 11 9.692 -8.476 -4.113 1.00 0.00 O ATOM 718 OE2 GLU B 11 9.547 -6.283 -4.116 1.00 0.00 O ATOM 0 H GLU B 11 10.571 -4.983 -0.437 1.00 0.00 H new ATOM 0 HA GLU B 11 8.350 -5.899 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.315 -7.279 -0.163 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.085 -8.132 -1.076 1.00 0.00 H new ATOM 0 HG2 GLU B 11 11.312 -6.441 -2.266 1.00 0.00 H new ATOM 0 HG3 GLU B 11 11.291 -8.192 -2.189 1.00 0.00 H new ATOM 725 N GLU B 12 8.091 -5.713 1.234 1.00 0.00 N ATOM 726 CA GLU B 12 7.145 -5.711 2.341 1.00 0.00 C ATOM 727 C GLU B 12 5.918 -4.869 2.004 1.00 0.00 C ATOM 728 O GLU B 12 4.793 -5.368 2.026 1.00 0.00 O ATOM 729 CB GLU B 12 7.818 -5.184 3.612 1.00 0.00 C ATOM 730 CG GLU B 12 6.898 -5.126 4.820 1.00 0.00 C ATOM 731 CD GLU B 12 7.623 -4.699 6.080 1.00 0.00 C ATOM 732 OE1 GLU B 12 7.997 -5.584 6.878 1.00 0.00 O ATOM 733 OE2 GLU B 12 7.820 -3.480 6.267 1.00 0.00 O ATOM 0 H GLU B 12 9.018 -5.363 1.477 1.00 0.00 H new ATOM 0 HA GLU B 12 6.818 -6.736 2.514 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.672 -5.819 3.849 1.00 0.00 H new ATOM 0 HB3 GLU B 12 8.208 -4.185 3.417 1.00 0.00 H new ATOM 0 HG2 GLU B 12 6.083 -4.430 4.620 1.00 0.00 H new ATOM 0 HG3 GLU B 12 6.448 -6.106 4.978 1.00 0.00 H new ATOM 740 N LEU B 13 6.129 -3.595 1.687 1.00 0.00 N ATOM 741 CA LEU B 13 5.010 -2.728 1.326 1.00 0.00 C ATOM 742 C LEU B 13 4.409 -3.090 -0.031 1.00 0.00 C ATOM 743 O LEU B 13 3.243 -2.797 -0.280 1.00 0.00 O ATOM 744 CB LEU B 13 5.374 -1.240 1.377 1.00 0.00 C ATOM 745 CG LEU B 13 5.502 -0.674 2.792 1.00 0.00 C ATOM 746 CD1 LEU B 13 6.872 -0.967 3.382 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.213 0.819 2.803 1.00 0.00 C ATOM 0 H LEU B 13 7.045 -3.146 1.672 1.00 0.00 H new ATOM 0 HA LEU B 13 4.248 -2.903 2.085 1.00 0.00 H new ATOM 0 HB2 LEU B 13 6.317 -1.090 0.851 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.615 -0.673 0.838 1.00 0.00 H new ATOM 0 HG LEU B 13 4.760 -1.169 3.418 1.00 0.00 H new ATOM 0 HD11 LEU B 13 6.931 -0.552 4.388 1.00 0.00 H new ATOM 0 HD12 LEU B 13 7.027 -2.045 3.425 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.642 -0.514 2.757 1.00 0.00 H new ATOM 0 HD21 LEU B 13 5.310 1.201 3.819 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.923 1.332 2.154 1.00 0.00 H new ATOM 0 HD23 LEU B 13 4.199 0.996 2.444 1.00 0.00 H new ATOM 759 N LEU B 14 5.191 -3.731 -0.897 1.00 0.00 N ATOM 760 CA LEU B 14 4.662 -4.274 -2.144 1.00 0.00 C ATOM 761 C LEU B 14 3.591 -5.319 -1.826 1.00 0.00 C ATOM 762 O LEU B 14 2.544 -5.385 -2.478 1.00 0.00 O ATOM 763 CB LEU B 14 5.822 -4.864 -2.977 1.00 0.00 C ATOM 764 CG LEU B 14 5.486 -5.476 -4.346 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.844 -6.848 -4.202 1.00 0.00 C ATOM 766 CD2 LEU B 14 4.596 -4.548 -5.163 1.00 0.00 C ATOM 0 H LEU B 14 6.190 -3.886 -0.758 1.00 0.00 H new ATOM 0 HA LEU B 14 4.194 -3.489 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.556 -4.074 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.307 -5.634 -2.377 1.00 0.00 H new ATOM 0 HG LEU B 14 6.426 -5.602 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.620 -7.250 -5.190 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.530 -7.518 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU B 14 3.921 -6.760 -3.629 1.00 0.00 H new ATOM 0 HD21 LEU B 14 4.376 -5.009 -6.126 1.00 0.00 H new ATOM 0 HD22 LEU B 14 3.665 -4.370 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU B 14 5.109 -3.600 -5.324 1.00 0.00 H new ATOM 778 N SER B 15 3.860 -6.125 -0.812 1.00 0.00 N ATOM 779 CA SER B 15 2.891 -7.092 -0.322 1.00 0.00 C ATOM 780 C SER B 15 1.775 -6.377 0.443 1.00 0.00 C ATOM 781 O SER B 15 0.610 -6.784 0.399 1.00 0.00 O ATOM 782 CB SER B 15 3.587 -8.113 0.582 1.00 0.00 C ATOM 783 OG SER B 15 4.704 -8.701 -0.075 1.00 0.00 O ATOM 0 H SER B 15 4.747 -6.128 -0.309 1.00 0.00 H new ATOM 0 HA SER B 15 2.450 -7.616 -1.170 1.00 0.00 H new ATOM 0 HB2 SER B 15 3.916 -7.626 1.500 1.00 0.00 H new ATOM 0 HB3 SER B 15 2.879 -8.891 0.870 1.00 0.00 H new ATOM 0 HG SER B 15 5.416 -8.034 -0.170 1.00 0.00 H new ATOM 789 N LYS B 16 2.144 -5.298 1.130 1.00 0.00 N ATOM 790 CA LYS B 16 1.196 -4.498 1.890 1.00 0.00 C ATOM 791 C LYS B 16 0.123 -3.899 0.979 1.00 0.00 C ATOM 792 O LYS B 16 -1.071 -4.108 1.201 1.00 0.00 O ATOM 793 CB LYS B 16 1.936 -3.386 2.629 1.00 0.00 C ATOM 794 CG LYS B 16 1.069 -2.566 3.568 1.00 0.00 C ATOM 795 CD LYS B 16 1.887 -1.484 4.255 1.00 0.00 C ATOM 796 CE LYS B 16 1.055 -0.691 5.246 1.00 0.00 C ATOM 797 NZ LYS B 16 0.505 -1.549 6.327 1.00 0.00 N ATOM 0 H LYS B 16 3.105 -4.958 1.173 1.00 0.00 H new ATOM 0 HA LYS B 16 0.701 -5.147 2.612 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.751 -3.828 3.201 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.387 -2.718 1.895 1.00 0.00 H new ATOM 0 HG2 LYS B 16 0.251 -2.110 3.010 1.00 0.00 H new ATOM 0 HG3 LYS B 16 0.619 -3.218 4.317 1.00 0.00 H new ATOM 0 HD2 LYS B 16 2.731 -1.940 4.772 1.00 0.00 H new ATOM 0 HD3 LYS B 16 2.300 -0.809 3.505 1.00 0.00 H new ATOM 0 HE2 LYS B 16 1.668 0.096 5.685 1.00 0.00 H new ATOM 0 HE3 LYS B 16 0.235 -0.201 4.720 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 0.151 -0.950 7.099 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -0.275 -2.125 5.950 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 1.253 -2.174 6.689 1.00 0.00 H new ATOM 811 N ASN B 17 0.548 -3.171 -0.054 1.00 0.00 N ATOM 812 CA ASN B 17 -0.394 -2.525 -0.962 1.00 0.00 C ATOM 813 C ASN B 17 -1.150 -3.566 -1.781 1.00 0.00 C ATOM 814 O ASN B 17 -2.243 -3.301 -2.269 1.00 0.00 O ATOM 815 CB ASN B 17 0.309 -1.520 -1.894 1.00 0.00 C ATOM 816 CG ASN B 17 1.098 -2.173 -3.017 1.00 0.00 C ATOM 817 OD1 ASN B 17 2.277 -2.469 -2.875 1.00 0.00 O ATOM 818 ND2 ASN B 17 0.452 -2.384 -4.152 1.00 0.00 N ATOM 0 H ASN B 17 1.530 -3.016 -0.280 1.00 0.00 H new ATOM 0 HA ASN B 17 -1.106 -1.970 -0.352 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -0.439 -0.856 -2.327 1.00 0.00 H new ATOM 0 HB3 ASN B 17 0.982 -0.900 -1.302 1.00 0.00 H new ATOM 0 HD21 ASN B 17 0.937 -2.806 -4.944 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -0.531 -2.125 -4.235 1.00 0.00 H new ATOM 825 N TYR B 18 -0.571 -4.752 -1.920 1.00 0.00 N ATOM 826 CA TYR B 18 -1.235 -5.845 -2.614 1.00 0.00 C ATOM 827 C TYR B 18 -2.488 -6.271 -1.853 1.00 0.00 C ATOM 828 O TYR B 18 -3.581 -6.337 -2.418 1.00 0.00 O ATOM 829 CB TYR B 18 -0.286 -7.035 -2.780 1.00 0.00 C ATOM 830 CG TYR B 18 -0.945 -8.249 -3.391 1.00 0.00 C ATOM 831 CD1 TYR B 18 -1.204 -9.380 -2.627 1.00 0.00 C ATOM 832 CD2 TYR B 18 -1.321 -8.260 -4.729 1.00 0.00 C ATOM 833 CE1 TYR B 18 -1.820 -10.486 -3.177 1.00 0.00 C ATOM 834 CE2 TYR B 18 -1.935 -9.363 -5.287 1.00 0.00 C ATOM 835 CZ TYR B 18 -2.183 -10.474 -4.507 1.00 0.00 C ATOM 836 OH TYR B 18 -2.806 -11.572 -5.056 1.00 0.00 O ATOM 0 H TYR B 18 0.356 -4.980 -1.561 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.527 -5.496 -3.605 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.555 -6.735 -3.405 1.00 0.00 H new ATOM 0 HB3 TYR B 18 0.121 -7.304 -1.805 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.919 -9.394 -1.585 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.130 -7.392 -5.342 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -2.017 -11.356 -2.569 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -2.220 -9.357 -6.329 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.996 -11.401 -6.002 1.00 0.00 H new ATOM 846 N HIS B 19 -2.328 -6.543 -0.564 1.00 0.00 N ATOM 847 CA HIS B 19 -3.451 -6.951 0.276 1.00 0.00 C ATOM 848 C HIS B 19 -4.429 -5.801 0.456 1.00 0.00 C ATOM 849 O HIS B 19 -5.639 -6.005 0.531 1.00 0.00 O ATOM 850 CB HIS B 19 -2.965 -7.437 1.644 1.00 0.00 C ATOM 851 CG HIS B 19 -2.373 -8.811 1.623 1.00 0.00 C ATOM 852 ND1 HIS B 19 -2.986 -9.899 2.200 1.00 0.00 N ATOM 853 CD2 HIS B 19 -1.215 -9.269 1.096 1.00 0.00 C ATOM 854 CE1 HIS B 19 -2.232 -10.967 2.029 1.00 0.00 C ATOM 855 NE2 HIS B 19 -1.153 -10.613 1.361 1.00 0.00 N ATOM 0 H HIS B 19 -1.434 -6.489 -0.076 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.959 -7.775 -0.225 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.221 -6.737 2.024 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.802 -7.423 2.342 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -0.477 -8.685 0.566 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -2.460 -11.963 2.378 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -0.395 -11.237 1.086 1.00 0.00 H new ATOM 864 N LEU B 20 -3.892 -4.591 0.503 1.00 0.00 N ATOM 865 CA LEU B 20 -4.691 -3.400 0.693 1.00 0.00 C ATOM 866 C LEU B 20 -5.512 -3.095 -0.562 1.00 0.00 C ATOM 867 O LEU B 20 -6.635 -2.600 -0.477 1.00 0.00 O ATOM 868 CB LEU B 20 -3.763 -2.240 1.046 1.00 0.00 C ATOM 869 CG LEU B 20 -4.449 -0.926 1.382 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.357 -1.081 2.593 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.410 0.155 1.629 1.00 0.00 C ATOM 0 H LEU B 20 -2.892 -4.412 0.410 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.397 -3.554 1.509 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.149 -2.536 1.897 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -3.087 -2.072 0.208 1.00 0.00 H new ATOM 0 HG LEU B 20 -5.068 -0.633 0.534 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -5.836 -0.127 2.813 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -6.120 -1.830 2.382 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -4.766 -1.397 3.453 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.911 1.093 1.869 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -2.771 -0.138 2.462 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.802 0.287 0.734 1.00 0.00 H new ATOM 883 N GLU B 21 -4.954 -3.409 -1.728 1.00 0.00 N ATOM 884 CA GLU B 21 -5.678 -3.253 -2.985 1.00 0.00 C ATOM 885 C GLU B 21 -6.836 -4.240 -3.043 1.00 0.00 C ATOM 886 O GLU B 21 -7.925 -3.914 -3.517 1.00 0.00 O ATOM 887 CB GLU B 21 -4.743 -3.467 -4.179 1.00 0.00 C ATOM 888 CG GLU B 21 -5.395 -3.184 -5.521 1.00 0.00 C ATOM 889 CD GLU B 21 -4.467 -3.444 -6.692 1.00 0.00 C ATOM 890 OE1 GLU B 21 -4.533 -4.550 -7.268 1.00 0.00 O ATOM 891 OE2 GLU B 21 -3.673 -2.543 -7.029 1.00 0.00 O ATOM 0 H GLU B 21 -4.006 -3.772 -1.828 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.071 -2.237 -3.035 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -3.870 -2.824 -4.066 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.384 -4.496 -4.169 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -6.286 -3.804 -5.625 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -5.724 -2.145 -5.548 1.00 0.00 H new ATOM 898 N ASN B 22 -6.596 -5.441 -2.532 1.00 0.00 N ATOM 899 CA ASN B 22 -7.634 -6.464 -2.453 1.00 0.00 C ATOM 900 C ASN B 22 -8.722 -6.048 -1.463 1.00 0.00 C ATOM 901 O ASN B 22 -9.852 -6.534 -1.510 1.00 0.00 O ATOM 902 CB ASN B 22 -7.035 -7.814 -2.049 1.00 0.00 C ATOM 903 CG ASN B 22 -6.425 -8.561 -3.223 1.00 0.00 C ATOM 904 OD1 ASN B 22 -7.094 -9.356 -3.882 1.00 0.00 O ATOM 905 ND2 ASN B 22 -5.154 -8.314 -3.498 1.00 0.00 N ATOM 0 H ASN B 22 -5.690 -5.732 -2.165 1.00 0.00 H new ATOM 0 HA ASN B 22 -8.084 -6.569 -3.440 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.270 -7.654 -1.289 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.812 -8.430 -1.596 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -4.699 -8.789 -4.278 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -4.629 -7.648 -2.930 1.00 0.00 H new ATOM 912 N GLU B 23 -8.366 -5.125 -0.576 1.00 0.00 N ATOM 913 CA GLU B 23 -9.284 -4.624 0.435 1.00 0.00 C ATOM 914 C GLU B 23 -10.289 -3.663 -0.197 1.00 0.00 C ATOM 915 O GLU B 23 -11.475 -3.691 0.131 1.00 0.00 O ATOM 916 CB GLU B 23 -8.494 -3.929 1.553 1.00 0.00 C ATOM 917 CG GLU B 23 -9.353 -3.366 2.676 1.00 0.00 C ATOM 918 CD GLU B 23 -10.058 -4.434 3.484 1.00 0.00 C ATOM 919 OE1 GLU B 23 -9.400 -5.063 4.336 1.00 0.00 O ATOM 920 OE2 GLU B 23 -11.271 -4.639 3.267 1.00 0.00 O ATOM 0 H GLU B 23 -7.437 -4.706 -0.539 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.836 -5.459 0.866 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -7.785 -4.641 1.976 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -7.910 -3.118 1.118 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -8.726 -2.772 3.341 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -10.096 -2.691 2.252 1.00 0.00 H new ATOM 927 N VAL B 24 -9.815 -2.832 -1.118 1.00 0.00 N ATOM 928 CA VAL B 24 -10.690 -1.891 -1.812 1.00 0.00 C ATOM 929 C VAL B 24 -11.670 -2.651 -2.699 1.00 0.00 C ATOM 930 O VAL B 24 -12.854 -2.322 -2.765 1.00 0.00 O ATOM 931 CB VAL B 24 -9.910 -0.891 -2.700 1.00 0.00 C ATOM 932 CG1 VAL B 24 -10.838 0.204 -3.210 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.730 -0.279 -1.962 1.00 0.00 C ATOM 0 H VAL B 24 -8.836 -2.789 -1.401 1.00 0.00 H new ATOM 0 HA VAL B 24 -11.213 -1.327 -1.040 1.00 0.00 H new ATOM 0 HB VAL B 24 -9.515 -1.449 -3.549 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -10.274 0.898 -3.832 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -11.639 -0.243 -3.799 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -11.266 0.741 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -8.210 0.417 -2.621 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -9.088 0.254 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -8.044 -1.068 -1.654 1.00 0.00 H new ATOM 943 N ALA B 25 -11.163 -3.688 -3.357 1.00 0.00 N ATOM 944 CA ALA B 25 -11.951 -4.446 -4.322 1.00 0.00 C ATOM 945 C ALA B 25 -13.180 -5.082 -3.685 1.00 0.00 C ATOM 946 O ALA B 25 -14.261 -5.073 -4.275 1.00 0.00 O ATOM 947 CB ALA B 25 -11.100 -5.508 -4.990 1.00 0.00 C ATOM 0 H ALA B 25 -10.207 -4.024 -3.239 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.299 -3.740 -5.076 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -11.706 -6.063 -5.706 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.268 -5.034 -5.510 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -10.714 -6.193 -4.235 1.00 0.00 H new ATOM 953 N ARG B 26 -13.029 -5.633 -2.482 1.00 0.00 N ATOM 954 CA ARG B 26 -14.162 -6.249 -1.814 1.00 0.00 C ATOM 955 C ARG B 26 -15.216 -5.214 -1.443 1.00 0.00 C ATOM 956 O ARG B 26 -16.408 -5.464 -1.606 1.00 0.00 O ATOM 957 CB ARG B 26 -13.751 -7.072 -0.588 1.00 0.00 C ATOM 958 CG ARG B 26 -12.557 -6.559 0.205 1.00 0.00 C ATOM 959 CD ARG B 26 -12.414 -7.363 1.490 1.00 0.00 C ATOM 960 NE ARG B 26 -11.030 -7.478 1.953 1.00 0.00 N ATOM 961 CZ ARG B 26 -10.695 -7.940 3.161 1.00 0.00 C ATOM 962 NH1 ARG B 26 -11.641 -8.270 4.031 1.00 0.00 N ATOM 963 NH2 ARG B 26 -9.419 -8.070 3.500 1.00 0.00 N ATOM 0 H ARG B 26 -12.151 -5.664 -1.963 1.00 0.00 H new ATOM 0 HA ARG B 26 -14.599 -6.945 -2.530 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -14.607 -7.133 0.085 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -13.531 -8.088 -0.917 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -11.648 -6.643 -0.391 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -12.689 -5.502 0.438 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -13.013 -6.895 2.271 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -12.821 -8.362 1.332 1.00 0.00 H new ATOM 0 HE ARG B 26 -10.283 -7.191 1.321 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -12.624 -8.171 3.778 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -11.385 -8.623 4.953 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -8.687 -7.817 2.837 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -9.170 -8.423 4.424 1.00 0.00 H new ATOM 977 N LEU B 27 -14.792 -4.048 -0.966 1.00 0.00 N ATOM 978 CA LEU B 27 -15.748 -2.984 -0.660 1.00 0.00 C ATOM 979 C LEU B 27 -16.455 -2.516 -1.924 1.00 0.00 C ATOM 980 O LEU B 27 -17.637 -2.183 -1.891 1.00 0.00 O ATOM 981 CB LEU B 27 -15.088 -1.788 0.029 1.00 0.00 C ATOM 982 CG LEU B 27 -14.877 -1.924 1.541 1.00 0.00 C ATOM 983 CD1 LEU B 27 -13.984 -3.106 1.881 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.305 -0.644 2.115 1.00 0.00 C ATOM 0 H LEU B 27 -13.815 -3.816 -0.785 1.00 0.00 H new ATOM 0 HA LEU B 27 -16.476 -3.408 0.031 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -14.120 -1.611 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -15.698 -0.904 -0.156 1.00 0.00 H new ATOM 0 HG LEU B 27 -15.852 -2.108 1.993 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -13.859 -3.168 2.962 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -14.442 -4.025 1.515 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.010 -2.973 1.410 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.162 -0.759 3.189 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -13.347 -0.430 1.642 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -14.994 0.179 1.927 1.00 0.00 H new ATOM 996 N LYS B 28 -15.727 -2.497 -3.036 1.00 0.00 N ATOM 997 CA LYS B 28 -16.298 -2.127 -4.326 1.00 0.00 C ATOM 998 C LYS B 28 -17.500 -3.013 -4.661 1.00 0.00 C ATOM 999 O LYS B 28 -18.491 -2.547 -5.226 1.00 0.00 O ATOM 1000 CB LYS B 28 -15.233 -2.235 -5.424 1.00 0.00 C ATOM 1001 CG LYS B 28 -15.661 -1.657 -6.765 1.00 0.00 C ATOM 1002 CD LYS B 28 -15.932 -0.163 -6.664 1.00 0.00 C ATOM 1003 CE LYS B 28 -16.299 0.435 -8.013 1.00 0.00 C ATOM 1004 NZ LYS B 28 -15.182 0.337 -8.988 1.00 0.00 N ATOM 0 H LYS B 28 -14.736 -2.735 -3.069 1.00 0.00 H new ATOM 0 HA LYS B 28 -16.642 -1.094 -4.268 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -14.330 -1.722 -5.091 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.972 -3.285 -5.560 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -14.882 -1.838 -7.506 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.558 -2.168 -7.114 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -16.742 0.013 -5.956 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -15.049 0.341 -6.271 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -17.174 -0.079 -8.411 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -16.576 1.481 -7.883 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -15.377 0.954 -9.802 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -14.296 0.635 -8.532 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.090 -0.647 -9.313 1.00 0.00 H new ATOM 1018 N LYS B 29 -17.414 -4.289 -4.293 1.00 0.00 N ATOM 1019 CA LYS B 29 -18.497 -5.228 -4.518 1.00 0.00 C ATOM 1020 C LYS B 29 -19.642 -4.989 -3.542 1.00 0.00 C ATOM 1021 O LYS B 29 -20.805 -5.173 -3.888 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.988 -6.658 -4.374 1.00 0.00 C ATOM 1023 CG LYS B 29 -16.972 -7.056 -5.429 1.00 0.00 C ATOM 1024 CD LYS B 29 -17.579 -7.030 -6.821 1.00 0.00 C ATOM 1025 CE LYS B 29 -16.586 -7.484 -7.874 1.00 0.00 C ATOM 1026 NZ LYS B 29 -17.192 -7.500 -9.229 1.00 0.00 N ATOM 0 H LYS B 29 -16.597 -4.693 -3.835 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.871 -5.076 -5.531 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.539 -6.776 -3.388 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.835 -7.342 -4.423 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.120 -6.378 -5.389 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.594 -8.056 -5.214 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -18.458 -7.675 -6.847 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.918 -6.020 -7.052 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.722 -6.820 -7.870 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -16.223 -8.481 -7.626 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -16.484 -7.815 -9.922 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -18.002 -8.153 -9.240 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -17.516 -6.543 -9.476 1.00 0.00 H new ATOM 1040 N LEU B 30 -19.306 -4.579 -2.326 1.00 0.00 N ATOM 1041 CA LEU B 30 -20.316 -4.264 -1.322 1.00 0.00 C ATOM 1042 C LEU B 30 -21.088 -3.010 -1.716 1.00 0.00 C ATOM 1043 O LEU B 30 -22.273 -2.881 -1.417 1.00 0.00 O ATOM 1044 CB LEU B 30 -19.678 -4.083 0.060 1.00 0.00 C ATOM 1045 CG LEU B 30 -19.557 -5.355 0.908 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -18.704 -6.401 0.212 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -18.977 -5.027 2.274 1.00 0.00 C ATOM 0 H LEU B 30 -18.344 -4.457 -2.010 1.00 0.00 H new ATOM 0 HA LEU B 30 -21.012 -5.101 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.682 -3.661 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -20.263 -3.351 0.617 1.00 0.00 H new ATOM 0 HG LEU B 30 -20.557 -5.768 1.038 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -18.637 -7.291 0.838 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -19.157 -6.663 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -17.704 -6.001 0.042 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -18.897 -5.940 2.864 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -17.988 -4.586 2.153 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -19.629 -4.320 2.786 1.00 0.00 H new ATOM 1059 N VAL B 31 -20.409 -2.091 -2.392 1.00 0.00 N ATOM 1060 CA VAL B 31 -21.051 -0.883 -2.889 1.00 0.00 C ATOM 1061 C VAL B 31 -21.805 -1.184 -4.184 1.00 0.00 C ATOM 1062 O VAL B 31 -22.817 -0.553 -4.490 1.00 0.00 O ATOM 1063 CB VAL B 31 -20.030 0.261 -3.130 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -20.735 1.535 -3.566 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -19.204 0.520 -1.883 1.00 0.00 C ATOM 0 H VAL B 31 -19.415 -2.160 -2.608 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.752 -0.548 -2.124 1.00 0.00 H new ATOM 0 HB VAL B 31 -19.360 -0.054 -3.930 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -19.998 2.321 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -21.279 1.351 -4.492 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -21.434 1.848 -2.790 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -18.496 1.326 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.863 0.805 -1.063 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.659 -0.385 -1.613 1.00 0.00 H new ATOM 1075 N GLY B 32 -21.320 -2.173 -4.927 1.00 0.00 N ATOM 1076 CA GLY B 32 -21.938 -2.527 -6.187 1.00 0.00 C ATOM 1077 C GLY B 32 -23.174 -3.376 -5.995 1.00 0.00 C ATOM 1078 O GLY B 32 -24.246 -3.039 -6.503 1.00 0.00 O ATOM 0 H GLY B 32 -20.507 -2.736 -4.676 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -22.203 -1.619 -6.728 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -21.220 -3.067 -6.804 1.00 0.00 H new ATOM 1082 N GLU B 33 -23.015 -4.475 -5.259 1.00 0.00 N ATOM 1083 CA GLU B 33 -24.110 -5.394 -4.967 1.00 0.00 C ATOM 1084 C GLU B 33 -24.711 -5.949 -6.260 1.00 0.00 C ATOM 1085 O GLU B 33 -24.106 -6.876 -6.839 1.00 0.00 O ATOM 1086 CB GLU B 33 -25.181 -4.693 -4.117 1.00 0.00 C ATOM 1087 CG GLU B 33 -26.267 -5.621 -3.592 1.00 0.00 C ATOM 1088 CD GLU B 33 -25.723 -6.701 -2.679 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -25.536 -7.839 -3.155 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -25.479 -6.406 -1.490 1.00 0.00 O ATOM 1091 OXT GLU B 33 -25.776 -5.464 -6.692 1.00 0.00 O ATOM 0 H GLU B 33 -22.123 -4.752 -4.849 1.00 0.00 H new ATOM 0 HA GLU B 33 -23.716 -6.234 -4.395 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -24.696 -4.205 -3.272 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -25.646 -3.909 -4.714 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -27.010 -5.035 -3.052 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -26.779 -6.087 -4.434 1.00 0.00 H new TER 1098 GLU B 33