USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 805 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 68 SER OG : rot -140:sc= -0.761 USER MOD Set 1.2: A 71 GLN : amide:sc=-0.00172 X(o=-0.76,f=-0.88) USER MOD Set 2.1: A 39 SER OG : rot 180:sc= 1.08 USER MOD Set 2.2: A 42 THR OG1 : rot 76:sc= 1.24 USER MOD Set 3.1: A 27 TYR OH : rot 180:sc= 0.0305 USER MOD Set 3.2: A 40 SER OG : rot 128:sc= 1.72 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 0.364 (180deg=0.187) USER MOD Single : A 4 GLN : amide:sc= -1.28 X(o=-1.3,f=-1) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0255 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0532 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0276) USER MOD Single : A 21 GLN : amide:sc= -0.701 K(o=-0.7,f=-1.7) USER MOD Single : A 26 HIS : no HD1:sc= -3.84 X(o=-3.8,f=-4.3) USER MOD Single : A 28 THR OG1 : rot 90:sc= -0.815 USER MOD Single : A 30 THR OG1 : rot 80:sc= 0.655 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0.0884 X(o=0.088,f=0) USER MOD Single : A 67 MET CE :methyl -170:sc= -3.89 (180deg=-4.47) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 20:sc= -0.134 USER MOD Single : A 78 SER OG : rot 74:sc= 0.118 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -10:sc= 0.427 USER MOD Single : A 85 SER OG : rot 180:sc= 0.105 USER MOD Single : A 88 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.61) USER MOD Single : A 95 ASN : amide:sc= -2.9 K(o=-2.9,f=-4.3!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0485 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.46 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.599 -0.870 0.717 1.00 0.00 N ATOM 2 CA MET A 1 1.956 -0.304 -0.579 1.00 0.00 C ATOM 3 C MET A 1 1.367 -1.134 -1.715 1.00 0.00 C ATOM 4 O MET A 1 1.062 -2.313 -1.543 1.00 0.00 O ATOM 5 CB MET A 1 3.477 -0.226 -0.723 1.00 0.00 C ATOM 6 CG MET A 1 4.078 1.043 -0.141 1.00 0.00 C ATOM 7 SD MET A 1 4.251 0.971 1.652 1.00 0.00 S ATOM 8 CE MET A 1 3.459 2.505 2.130 1.00 0.00 C ATOM 0 H1 MET A 1 2.278 -0.547 1.436 1.00 0.00 H new ATOM 0 H2 MET A 1 0.642 -0.559 0.980 1.00 0.00 H new ATOM 0 H3 MET A 1 1.622 -1.908 0.661 1.00 0.00 H new ATOM 0 HA MET A 1 1.541 0.702 -0.636 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.925 -1.089 -0.231 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.738 -0.290 -1.779 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.056 1.216 -0.590 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.450 1.893 -0.408 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.486 2.606 3.215 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.986 3.344 1.675 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.423 2.500 1.792 1.00 0.00 H new ATOM 18 N GLY A 2 1.211 -0.509 -2.879 1.00 0.00 N ATOM 19 CA GLY A 2 0.659 -1.205 -4.026 1.00 0.00 C ATOM 20 C GLY A 2 -0.847 -1.062 -4.121 1.00 0.00 C ATOM 21 O GLY A 2 -1.435 -1.293 -5.178 1.00 0.00 O ATOM 0 H GLY A 2 1.457 0.466 -3.047 1.00 0.00 H new ATOM 0 HA2 GLY A 2 1.116 -0.818 -4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.917 -2.262 -3.965 1.00 0.00 H new ATOM 25 N VAL A 3 -1.476 -0.682 -3.013 1.00 0.00 N ATOM 26 CA VAL A 3 -2.923 -0.510 -2.976 1.00 0.00 C ATOM 27 C VAL A 3 -3.315 0.645 -2.061 1.00 0.00 C ATOM 28 O VAL A 3 -2.616 0.948 -1.094 1.00 0.00 O ATOM 29 CB VAL A 3 -3.629 -1.793 -2.497 1.00 0.00 C ATOM 30 CG1 VAL A 3 -3.366 -2.026 -1.017 1.00 0.00 C ATOM 31 CG2 VAL A 3 -5.122 -1.714 -2.776 1.00 0.00 C ATOM 0 H VAL A 3 -1.006 -0.487 -2.129 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.242 -0.288 -3.994 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.223 -2.640 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.872 -2.936 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.294 -2.129 -0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.743 -1.180 -0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.605 -2.628 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.546 -0.859 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.286 -1.598 -3.847 1.00 0.00 H new ATOM 41 N GLN A 4 -4.438 1.284 -2.372 1.00 0.00 N ATOM 42 CA GLN A 4 -4.923 2.406 -1.577 1.00 0.00 C ATOM 43 C GLN A 4 -6.445 2.383 -1.476 1.00 0.00 C ATOM 44 O GLN A 4 -7.134 1.991 -2.417 1.00 0.00 O ATOM 45 CB GLN A 4 -4.460 3.729 -2.188 1.00 0.00 C ATOM 46 CG GLN A 4 -3.567 4.545 -1.267 1.00 0.00 C ATOM 47 CD GLN A 4 -2.385 3.751 -0.747 1.00 0.00 C ATOM 48 OE1 GLN A 4 -2.291 3.467 0.448 1.00 0.00 O ATOM 49 NE2 GLN A 4 -1.476 3.386 -1.643 1.00 0.00 N ATOM 0 H GLN A 4 -5.029 1.044 -3.168 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.509 2.314 -0.573 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -3.922 3.524 -3.114 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.335 4.323 -2.453 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.203 5.422 -1.803 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -4.155 4.908 -0.424 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.594 3.643 -2.623 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -0.660 2.849 -1.351 1.00 0.00 H new ATOM 58 N VAL A 5 -6.963 2.807 -0.328 1.00 0.00 N ATOM 59 CA VAL A 5 -8.404 2.837 -0.104 1.00 0.00 C ATOM 60 C VAL A 5 -8.893 4.260 0.140 1.00 0.00 C ATOM 61 O VAL A 5 -8.507 4.903 1.116 1.00 0.00 O ATOM 62 CB VAL A 5 -8.804 1.956 1.095 1.00 0.00 C ATOM 63 CG1 VAL A 5 -10.312 1.969 1.288 1.00 0.00 C ATOM 64 CG2 VAL A 5 -8.294 0.536 0.905 1.00 0.00 C ATOM 0 H VAL A 5 -6.407 3.135 0.462 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.873 2.445 -1.007 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.344 2.365 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.575 1.341 2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -10.646 2.990 1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.797 1.585 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.585 -0.073 1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.723 0.114 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.207 0.548 0.821 1.00 0.00 H new ATOM 74 N VAL A 6 -9.747 4.748 -0.755 1.00 0.00 N ATOM 75 CA VAL A 6 -10.291 6.095 -0.638 1.00 0.00 C ATOM 76 C VAL A 6 -11.721 6.066 -0.110 1.00 0.00 C ATOM 77 O VAL A 6 -12.671 5.871 -0.869 1.00 0.00 O ATOM 78 CB VAL A 6 -10.270 6.829 -1.991 1.00 0.00 C ATOM 79 CG1 VAL A 6 -10.668 8.287 -1.815 1.00 0.00 C ATOM 80 CG2 VAL A 6 -8.896 6.718 -2.636 1.00 0.00 C ATOM 0 H VAL A 6 -10.077 4.230 -1.569 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.657 6.632 0.067 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.997 6.356 -2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.647 8.789 -2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.674 8.342 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.968 8.776 -1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.899 7.242 -3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.149 7.164 -1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.655 5.668 -2.799 1.00 0.00 H new ATOM 90 N THR A 7 -11.868 6.262 1.197 1.00 0.00 N ATOM 91 CA THR A 7 -13.182 6.258 1.827 1.00 0.00 C ATOM 92 C THR A 7 -14.150 7.175 1.087 1.00 0.00 C ATOM 93 O THR A 7 -13.825 8.325 0.787 1.00 0.00 O ATOM 94 CB THR A 7 -13.100 6.699 3.300 1.00 0.00 C ATOM 95 OG1 THR A 7 -11.926 6.151 3.911 1.00 0.00 O ATOM 96 CG2 THR A 7 -14.334 6.250 4.069 1.00 0.00 C ATOM 0 H THR A 7 -11.093 6.425 1.839 1.00 0.00 H new ATOM 0 HA THR A 7 -13.551 5.233 1.782 1.00 0.00 H new ATOM 0 HB THR A 7 -13.050 7.787 3.328 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.880 6.438 4.847 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.253 6.573 5.107 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.223 6.692 3.620 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.410 5.163 4.032 1.00 0.00 H new ATOM 104 N LEU A 8 -15.340 6.661 0.796 1.00 0.00 N ATOM 105 CA LEU A 8 -16.356 7.434 0.092 1.00 0.00 C ATOM 106 C LEU A 8 -17.588 7.641 0.968 1.00 0.00 C ATOM 107 O LEU A 8 -18.078 8.760 1.113 1.00 0.00 O ATOM 108 CB LEU A 8 -16.752 6.730 -1.207 1.00 0.00 C ATOM 109 CG LEU A 8 -15.642 6.562 -2.244 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.955 5.404 -3.179 1.00 0.00 C ATOM 111 CD2 LEU A 8 -15.449 7.849 -3.033 1.00 0.00 C ATOM 0 H LEU A 8 -15.625 5.712 1.037 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.934 8.411 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -17.141 5.743 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -17.568 7.288 -1.665 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.713 6.338 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.153 5.300 -3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -16.041 4.483 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -16.895 5.598 -3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -14.655 7.710 -3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.376 8.104 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.177 8.656 -2.352 1.00 0.00 H new ATOM 123 N ALA A 9 -18.081 6.553 1.551 1.00 0.00 N ATOM 124 CA ALA A 9 -19.253 6.615 2.416 1.00 0.00 C ATOM 125 C ALA A 9 -19.082 5.718 3.637 1.00 0.00 C ATOM 126 O ALA A 9 -19.199 4.496 3.542 1.00 0.00 O ATOM 127 CB ALA A 9 -20.502 6.224 1.642 1.00 0.00 C ATOM 0 H ALA A 9 -17.687 5.619 1.440 1.00 0.00 H new ATOM 0 HA ALA A 9 -19.362 7.642 2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -21.369 6.275 2.301 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.641 6.909 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.393 5.207 1.264 1.00 0.00 H new ATOM 133 N ALA A 10 -18.804 6.331 4.783 1.00 0.00 N ATOM 134 CA ALA A 10 -18.618 5.587 6.022 1.00 0.00 C ATOM 135 C ALA A 10 -19.782 4.633 6.270 1.00 0.00 C ATOM 136 O ALA A 10 -20.912 4.899 5.862 1.00 0.00 O ATOM 137 CB ALA A 10 -18.460 6.545 7.194 1.00 0.00 C ATOM 0 H ALA A 10 -18.703 7.341 4.879 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.709 4.993 5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.322 5.976 8.113 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.592 7.183 7.028 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.353 7.164 7.281 1.00 0.00 H new ATOM 143 N GLY A 11 -19.498 3.521 6.940 1.00 0.00 N ATOM 144 CA GLY A 11 -20.531 2.544 7.229 1.00 0.00 C ATOM 145 C GLY A 11 -20.586 2.175 8.698 1.00 0.00 C ATOM 146 O GLY A 11 -20.807 3.034 9.553 1.00 0.00 O ATOM 0 H GLY A 11 -18.570 3.279 7.288 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -21.498 2.941 6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -20.352 1.645 6.638 1.00 0.00 H new ATOM 150 N ASP A 12 -20.386 0.896 8.993 1.00 0.00 N ATOM 151 CA ASP A 12 -20.414 0.415 10.369 1.00 0.00 C ATOM 152 C ASP A 12 -19.114 0.755 11.091 1.00 0.00 C ATOM 153 O ASP A 12 -19.120 1.096 12.273 1.00 0.00 O ATOM 154 CB ASP A 12 -20.648 -1.097 10.399 1.00 0.00 C ATOM 155 CG ASP A 12 -22.075 -1.469 10.047 1.00 0.00 C ATOM 156 OD1 ASP A 12 -22.589 -0.953 9.033 1.00 0.00 O ATOM 157 OD2 ASP A 12 -22.677 -2.276 10.786 1.00 0.00 O ATOM 0 H ASP A 12 -20.203 0.173 8.297 1.00 0.00 H new ATOM 0 HA ASP A 12 -21.235 0.913 10.884 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -19.966 -1.581 9.700 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -20.410 -1.479 11.392 1.00 0.00 H new ATOM 162 N GLU A 13 -18.001 0.659 10.370 1.00 0.00 N ATOM 163 CA GLU A 13 -16.693 0.955 10.943 1.00 0.00 C ATOM 164 C GLU A 13 -16.480 0.182 12.241 1.00 0.00 C ATOM 165 O GLU A 13 -15.803 0.654 13.154 1.00 0.00 O ATOM 166 CB GLU A 13 -16.553 2.457 11.203 1.00 0.00 C ATOM 167 CG GLU A 13 -16.730 3.309 9.958 1.00 0.00 C ATOM 168 CD GLU A 13 -16.455 4.778 10.212 1.00 0.00 C ATOM 169 OE1 GLU A 13 -16.813 5.268 11.304 1.00 0.00 O ATOM 170 OE2 GLU A 13 -15.883 5.439 9.320 1.00 0.00 O ATOM 0 H GLU A 13 -17.979 0.379 9.389 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.933 0.645 10.226 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.290 2.759 11.947 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.570 2.653 11.630 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.061 2.948 9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.747 3.193 9.585 1.00 0.00 H new ATOM 177 N ALA A 14 -17.063 -1.010 12.316 1.00 0.00 N ATOM 178 CA ALA A 14 -16.937 -1.850 13.500 1.00 0.00 C ATOM 179 C ALA A 14 -16.778 -3.318 13.117 1.00 0.00 C ATOM 180 O ALA A 14 -15.977 -4.042 13.709 1.00 0.00 O ATOM 181 CB ALA A 14 -18.143 -1.667 14.409 1.00 0.00 C ATOM 0 H ALA A 14 -17.628 -1.416 11.570 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.041 -1.543 14.039 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.035 -2.301 15.289 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.210 -0.624 14.719 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.049 -1.945 13.871 1.00 0.00 H new ATOM 187 N THR A 15 -17.548 -3.752 12.124 1.00 0.00 N ATOM 188 CA THR A 15 -17.494 -5.134 11.664 1.00 0.00 C ATOM 189 C THR A 15 -16.591 -5.272 10.444 1.00 0.00 C ATOM 190 O THR A 15 -16.934 -4.822 9.350 1.00 0.00 O ATOM 191 CB THR A 15 -18.897 -5.664 11.312 1.00 0.00 C ATOM 192 OG1 THR A 15 -19.833 -4.581 11.268 1.00 0.00 O ATOM 193 CG2 THR A 15 -19.356 -6.696 12.331 1.00 0.00 C ATOM 0 H THR A 15 -18.216 -3.166 11.623 1.00 0.00 H new ATOM 0 HA THR A 15 -17.086 -5.724 12.484 1.00 0.00 H new ATOM 0 HB THR A 15 -18.847 -6.140 10.333 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.722 -4.926 11.042 1.00 0.00 H new ATOM 0 HG21 THR A 15 -20.349 -7.056 12.062 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.657 -7.532 12.342 1.00 0.00 H new ATOM 0 HG23 THR A 15 -19.391 -6.240 13.320 1.00 0.00 H new ATOM 201 N TYR A 16 -15.435 -5.898 10.637 1.00 0.00 N ATOM 202 CA TYR A 16 -14.481 -6.094 9.552 1.00 0.00 C ATOM 203 C TYR A 16 -14.285 -7.578 9.261 1.00 0.00 C ATOM 204 O TYR A 16 -14.465 -8.436 10.125 1.00 0.00 O ATOM 205 CB TYR A 16 -13.138 -5.450 9.902 1.00 0.00 C ATOM 206 CG TYR A 16 -13.224 -3.957 10.131 1.00 0.00 C ATOM 207 CD1 TYR A 16 -13.771 -3.445 11.301 1.00 0.00 C ATOM 208 CD2 TYR A 16 -12.759 -3.060 9.178 1.00 0.00 C ATOM 209 CE1 TYR A 16 -13.852 -2.082 11.515 1.00 0.00 C ATOM 210 CE2 TYR A 16 -12.835 -1.696 9.383 1.00 0.00 C ATOM 211 CZ TYR A 16 -13.382 -1.212 10.553 1.00 0.00 C ATOM 212 OH TYR A 16 -13.461 0.146 10.761 1.00 0.00 O ATOM 0 H TYR A 16 -15.136 -6.278 11.535 1.00 0.00 H new ATOM 0 HA TYR A 16 -14.883 -5.617 8.658 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -12.740 -5.924 10.799 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.430 -5.646 9.097 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -14.139 -4.124 12.056 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -12.330 -3.435 8.261 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.281 -1.700 12.430 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.468 -1.013 8.631 1.00 0.00 H new ATOM 0 HH TYR A 16 -13.086 0.618 9.988 1.00 0.00 H new ATOM 222 N PRO A 17 -13.905 -7.890 8.013 1.00 0.00 N ATOM 223 CA PRO A 17 -13.674 -9.271 7.577 1.00 0.00 C ATOM 224 C PRO A 17 -12.429 -9.879 8.213 1.00 0.00 C ATOM 225 O PRO A 17 -11.321 -9.368 8.045 1.00 0.00 O ATOM 226 CB PRO A 17 -13.492 -9.139 6.063 1.00 0.00 C ATOM 227 CG PRO A 17 -13.013 -7.743 5.859 1.00 0.00 C ATOM 228 CD PRO A 17 -13.671 -6.919 6.931 1.00 0.00 C ATOM 0 HA PRO A 17 -14.491 -9.932 7.866 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.771 -9.864 5.686 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.429 -9.317 5.535 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.927 -7.688 5.936 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.281 -7.379 4.867 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.031 -6.100 7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.603 -6.475 6.581 1.00 0.00 H new ATOM 236 N LYS A 18 -12.617 -10.973 8.943 1.00 0.00 N ATOM 237 CA LYS A 18 -11.508 -11.652 9.603 1.00 0.00 C ATOM 238 C LYS A 18 -10.668 -12.429 8.594 1.00 0.00 C ATOM 239 O LYS A 18 -11.194 -12.978 7.626 1.00 0.00 O ATOM 240 CB LYS A 18 -12.035 -12.601 10.682 1.00 0.00 C ATOM 241 CG LYS A 18 -11.031 -12.885 11.785 1.00 0.00 C ATOM 242 CD LYS A 18 -11.542 -13.946 12.746 1.00 0.00 C ATOM 243 CE LYS A 18 -11.332 -15.347 12.192 1.00 0.00 C ATOM 244 NZ LYS A 18 -9.912 -15.781 12.308 1.00 0.00 N ATOM 0 H LYS A 18 -13.527 -11.409 9.093 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.876 -10.896 10.069 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.935 -12.172 11.123 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.326 -13.542 10.216 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.090 -13.214 11.345 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.822 -11.966 12.333 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.027 -13.851 13.702 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.603 -13.784 12.938 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.971 -16.049 12.727 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.636 -15.373 11.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.831 -16.780 12.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.319 -15.199 11.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.594 -15.668 13.292 1.00 0.00 H new ATOM 258 N ALA A 19 -9.360 -12.471 8.828 1.00 0.00 N ATOM 259 CA ALA A 19 -8.448 -13.183 7.941 1.00 0.00 C ATOM 260 C ALA A 19 -8.836 -14.653 7.820 1.00 0.00 C ATOM 261 O ALA A 19 -8.736 -15.412 8.783 1.00 0.00 O ATOM 262 CB ALA A 19 -7.017 -13.052 8.441 1.00 0.00 C ATOM 0 H ALA A 19 -8.909 -12.020 9.624 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.518 -12.733 6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.346 -13.588 7.770 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.736 -11.999 8.469 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.942 -13.475 9.443 1.00 0.00 H new ATOM 268 N GLY A 20 -9.280 -15.047 6.631 1.00 0.00 N ATOM 269 CA GLY A 20 -9.678 -16.425 6.406 1.00 0.00 C ATOM 270 C GLY A 20 -11.181 -16.610 6.457 1.00 0.00 C ATOM 271 O GLY A 20 -11.680 -17.725 6.304 1.00 0.00 O ATOM 0 H GLY A 20 -9.371 -14.437 5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.307 -16.753 5.435 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.211 -17.062 7.157 1.00 0.00 H new ATOM 275 N GLN A 21 -11.904 -15.516 6.675 1.00 0.00 N ATOM 276 CA GLN A 21 -13.359 -15.565 6.748 1.00 0.00 C ATOM 277 C GLN A 21 -13.986 -15.094 5.439 1.00 0.00 C ATOM 278 O GLN A 21 -13.339 -14.424 4.634 1.00 0.00 O ATOM 279 CB GLN A 21 -13.862 -14.703 7.907 1.00 0.00 C ATOM 280 CG GLN A 21 -14.515 -15.503 9.022 1.00 0.00 C ATOM 281 CD GLN A 21 -15.628 -14.741 9.713 1.00 0.00 C ATOM 282 OE1 GLN A 21 -16.701 -15.287 9.972 1.00 0.00 O ATOM 283 NE2 GLN A 21 -15.379 -13.473 10.016 1.00 0.00 N ATOM 0 H GLN A 21 -11.506 -14.586 6.804 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.654 -16.600 6.920 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -13.025 -14.138 8.318 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.579 -13.977 7.524 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.915 -16.430 8.612 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.759 -15.779 9.757 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.476 -13.061 9.783 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -16.091 -12.911 10.482 1.00 0.00 H new ATOM 292 N VAL A 22 -15.250 -15.449 5.233 1.00 0.00 N ATOM 293 CA VAL A 22 -15.965 -15.063 4.023 1.00 0.00 C ATOM 294 C VAL A 22 -16.550 -13.661 4.154 1.00 0.00 C ATOM 295 O VAL A 22 -17.026 -13.273 5.220 1.00 0.00 O ATOM 296 CB VAL A 22 -17.101 -16.053 3.701 1.00 0.00 C ATOM 297 CG1 VAL A 22 -17.780 -15.679 2.392 1.00 0.00 C ATOM 298 CG2 VAL A 22 -16.566 -17.476 3.647 1.00 0.00 C ATOM 0 H VAL A 22 -15.800 -16.004 5.889 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.240 -15.077 3.209 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.845 -15.998 4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -18.579 -16.389 2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -18.198 -14.676 2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -17.050 -15.704 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.381 -18.163 3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.803 -17.549 2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.131 -17.738 4.611 1.00 0.00 H new ATOM 308 N ALA A 23 -16.511 -12.905 3.061 1.00 0.00 N ATOM 309 CA ALA A 23 -17.040 -11.547 3.053 1.00 0.00 C ATOM 310 C ALA A 23 -17.698 -11.222 1.716 1.00 0.00 C ATOM 311 O ALA A 23 -17.205 -11.614 0.658 1.00 0.00 O ATOM 312 CB ALA A 23 -15.932 -10.548 3.355 1.00 0.00 C ATOM 0 H ALA A 23 -16.119 -13.210 2.170 1.00 0.00 H new ATOM 0 HA ALA A 23 -17.801 -11.475 3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.341 -9.538 3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.509 -10.760 4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.152 -10.630 2.599 1.00 0.00 H new ATOM 318 N VAL A 24 -18.815 -10.503 1.771 1.00 0.00 N ATOM 319 CA VAL A 24 -19.540 -10.125 0.564 1.00 0.00 C ATOM 320 C VAL A 24 -19.517 -8.615 0.360 1.00 0.00 C ATOM 321 O VAL A 24 -19.896 -7.851 1.248 1.00 0.00 O ATOM 322 CB VAL A 24 -21.004 -10.603 0.616 1.00 0.00 C ATOM 323 CG1 VAL A 24 -21.677 -10.411 -0.734 1.00 0.00 C ATOM 324 CG2 VAL A 24 -21.073 -12.058 1.054 1.00 0.00 C ATOM 0 H VAL A 24 -19.237 -10.171 2.638 1.00 0.00 H new ATOM 0 HA VAL A 24 -19.037 -10.609 -0.273 1.00 0.00 H new ATOM 0 HB VAL A 24 -21.539 -10.001 1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -22.710 -10.754 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -21.660 -9.355 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -21.144 -10.986 -1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -22.114 -12.380 1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -20.523 -12.678 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -20.631 -12.161 2.045 1.00 0.00 H new ATOM 334 N VAL A 25 -19.070 -8.189 -0.818 1.00 0.00 N ATOM 335 CA VAL A 25 -18.999 -6.769 -1.141 1.00 0.00 C ATOM 336 C VAL A 25 -19.303 -6.525 -2.615 1.00 0.00 C ATOM 337 O VAL A 25 -19.289 -7.452 -3.424 1.00 0.00 O ATOM 338 CB VAL A 25 -17.612 -6.187 -0.810 1.00 0.00 C ATOM 339 CG1 VAL A 25 -17.123 -6.702 0.535 1.00 0.00 C ATOM 340 CG2 VAL A 25 -16.617 -6.523 -1.911 1.00 0.00 C ATOM 0 H VAL A 25 -18.752 -8.807 -1.564 1.00 0.00 H new ATOM 0 HA VAL A 25 -19.750 -6.267 -0.531 1.00 0.00 H new ATOM 0 HB VAL A 25 -17.699 -5.102 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.142 -6.280 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.825 -6.407 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.051 -7.789 0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.642 -6.104 -1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.533 -7.605 -2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.962 -6.100 -2.855 1.00 0.00 H new ATOM 350 N HIS A 26 -19.576 -5.270 -2.957 1.00 0.00 N ATOM 351 CA HIS A 26 -19.882 -4.902 -4.335 1.00 0.00 C ATOM 352 C HIS A 26 -18.710 -4.163 -4.973 1.00 0.00 C ATOM 353 O HIS A 26 -18.232 -3.161 -4.442 1.00 0.00 O ATOM 354 CB HIS A 26 -21.138 -4.032 -4.386 1.00 0.00 C ATOM 355 CG HIS A 26 -22.359 -4.769 -4.840 1.00 0.00 C ATOM 356 ND1 HIS A 26 -22.443 -5.407 -6.060 1.00 0.00 N ATOM 357 CD2 HIS A 26 -23.551 -4.969 -4.230 1.00 0.00 C ATOM 358 CE1 HIS A 26 -23.634 -5.966 -6.181 1.00 0.00 C ATOM 359 NE2 HIS A 26 -24.325 -5.715 -5.084 1.00 0.00 N ATOM 0 H HIS A 26 -19.592 -4.491 -2.299 1.00 0.00 H new ATOM 0 HA HIS A 26 -20.061 -5.818 -4.898 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -21.322 -3.616 -3.395 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -20.961 -3.191 -5.057 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -23.839 -4.609 -3.254 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -23.983 -6.532 -7.032 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -25.279 -6.025 -4.901 1.00 0.00 H new ATOM 367 N TYR A 27 -18.251 -4.665 -6.114 1.00 0.00 N ATOM 368 CA TYR A 27 -17.133 -4.054 -6.823 1.00 0.00 C ATOM 369 C TYR A 27 -17.620 -3.277 -8.042 1.00 0.00 C ATOM 370 O TYR A 27 -18.567 -3.684 -8.717 1.00 0.00 O ATOM 371 CB TYR A 27 -16.130 -5.125 -7.255 1.00 0.00 C ATOM 372 CG TYR A 27 -16.685 -6.103 -8.265 1.00 0.00 C ATOM 373 CD1 TYR A 27 -16.767 -5.771 -9.612 1.00 0.00 C ATOM 374 CD2 TYR A 27 -17.127 -7.361 -7.873 1.00 0.00 C ATOM 375 CE1 TYR A 27 -17.274 -6.661 -10.538 1.00 0.00 C ATOM 376 CE2 TYR A 27 -17.635 -8.258 -8.793 1.00 0.00 C ATOM 377 CZ TYR A 27 -17.707 -7.904 -10.124 1.00 0.00 C ATOM 378 OH TYR A 27 -18.211 -8.794 -11.043 1.00 0.00 O ATOM 0 H TYR A 27 -18.636 -5.493 -6.568 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.642 -3.358 -6.143 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -15.251 -4.638 -7.678 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.797 -5.675 -6.375 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -16.428 -4.800 -9.940 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -17.072 -7.642 -6.832 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -17.331 -6.386 -11.581 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -17.974 -9.232 -8.471 1.00 0.00 H new ATOM 0 HH TYR A 27 -18.470 -9.622 -10.588 1.00 0.00 H new ATOM 388 N THR A 28 -16.966 -2.153 -8.320 1.00 0.00 N ATOM 389 CA THR A 28 -17.331 -1.317 -9.457 1.00 0.00 C ATOM 390 C THR A 28 -16.098 -0.895 -10.247 1.00 0.00 C ATOM 391 O THR A 28 -15.161 -0.321 -9.694 1.00 0.00 O ATOM 392 CB THR A 28 -18.094 -0.057 -9.005 1.00 0.00 C ATOM 393 OG1 THR A 28 -19.358 -0.425 -8.443 1.00 0.00 O ATOM 394 CG2 THR A 28 -18.309 0.893 -10.174 1.00 0.00 C ATOM 0 H THR A 28 -16.181 -1.801 -7.773 1.00 0.00 H new ATOM 0 HA THR A 28 -17.980 -1.916 -10.095 1.00 0.00 H new ATOM 0 HB THR A 28 -17.496 0.452 -8.249 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.257 -0.574 -7.480 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.850 1.775 -9.831 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.343 1.194 -10.580 1.00 0.00 H new ATOM 0 HG23 THR A 28 -18.888 0.391 -10.949 1.00 0.00 H new ATOM 402 N GLY A 29 -16.106 -1.183 -11.545 1.00 0.00 N ATOM 403 CA GLY A 29 -14.982 -0.825 -12.391 1.00 0.00 C ATOM 404 C GLY A 29 -14.788 0.675 -12.493 1.00 0.00 C ATOM 405 O GLY A 29 -15.757 1.432 -12.553 1.00 0.00 O ATOM 0 H GLY A 29 -16.870 -1.658 -12.026 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -14.074 -1.280 -11.995 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.136 -1.237 -13.388 1.00 0.00 H new ATOM 409 N THR A 30 -13.531 1.107 -12.512 1.00 0.00 N ATOM 410 CA THR A 30 -13.212 2.527 -12.605 1.00 0.00 C ATOM 411 C THR A 30 -11.721 2.741 -12.839 1.00 0.00 C ATOM 412 O THR A 30 -10.886 2.031 -12.277 1.00 0.00 O ATOM 413 CB THR A 30 -13.634 3.281 -11.330 1.00 0.00 C ATOM 414 OG1 THR A 30 -14.183 2.365 -10.377 1.00 0.00 O ATOM 415 CG2 THR A 30 -14.659 4.358 -11.653 1.00 0.00 C ATOM 0 H THR A 30 -12.717 0.494 -12.464 1.00 0.00 H new ATOM 0 HA THR A 30 -13.770 2.922 -13.454 1.00 0.00 H new ATOM 0 HB THR A 30 -12.749 3.757 -10.907 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.455 1.905 -9.908 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.942 4.877 -10.737 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.228 5.071 -12.356 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.542 3.898 -12.097 1.00 0.00 H new ATOM 423 N LEU A 31 -11.393 3.724 -13.670 1.00 0.00 N ATOM 424 CA LEU A 31 -10.001 4.033 -13.977 1.00 0.00 C ATOM 425 C LEU A 31 -9.504 5.204 -13.135 1.00 0.00 C ATOM 426 O LEU A 31 -10.298 5.978 -12.601 1.00 0.00 O ATOM 427 CB LEU A 31 -9.847 4.358 -15.464 1.00 0.00 C ATOM 428 CG LEU A 31 -9.812 3.160 -16.413 1.00 0.00 C ATOM 429 CD1 LEU A 31 -9.695 3.625 -17.856 1.00 0.00 C ATOM 430 CD2 LEU A 31 -8.663 2.229 -16.055 1.00 0.00 C ATOM 0 H LEU A 31 -12.072 4.321 -14.143 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.399 3.157 -13.738 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.671 5.007 -15.761 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.928 4.929 -15.597 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.746 2.609 -16.306 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.672 2.758 -18.517 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.552 4.250 -18.107 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.778 4.200 -17.980 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.654 1.382 -16.741 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.719 2.769 -16.133 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.792 1.868 -15.035 1.00 0.00 H new ATOM 442 N ALA A 32 -8.186 5.328 -13.023 1.00 0.00 N ATOM 443 CA ALA A 32 -7.583 6.407 -12.250 1.00 0.00 C ATOM 444 C ALA A 32 -8.013 7.770 -12.782 1.00 0.00 C ATOM 445 O ALA A 32 -7.960 8.771 -12.067 1.00 0.00 O ATOM 446 CB ALA A 32 -6.067 6.285 -12.267 1.00 0.00 C ATOM 0 H ALA A 32 -7.515 4.695 -13.458 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.931 6.322 -11.221 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.630 7.097 -11.686 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.774 5.329 -11.832 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.709 6.341 -13.295 1.00 0.00 H new ATOM 452 N ASP A 33 -8.437 7.802 -14.040 1.00 0.00 N ATOM 453 CA ASP A 33 -8.876 9.043 -14.668 1.00 0.00 C ATOM 454 C ASP A 33 -10.324 9.353 -14.303 1.00 0.00 C ATOM 455 O ASP A 33 -10.795 10.475 -14.488 1.00 0.00 O ATOM 456 CB ASP A 33 -8.728 8.951 -16.187 1.00 0.00 C ATOM 457 CG ASP A 33 -9.052 10.259 -16.881 1.00 0.00 C ATOM 458 OD1 ASP A 33 -8.142 11.106 -17.003 1.00 0.00 O ATOM 459 OD2 ASP A 33 -10.215 10.437 -17.301 1.00 0.00 O ATOM 0 H ASP A 33 -8.486 6.983 -14.646 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.246 9.852 -14.298 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.708 8.656 -16.432 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.386 8.169 -16.566 1.00 0.00 H new ATOM 464 N GLY A 34 -11.027 8.351 -13.785 1.00 0.00 N ATOM 465 CA GLY A 34 -12.415 8.537 -13.403 1.00 0.00 C ATOM 466 C GLY A 34 -13.370 7.777 -14.303 1.00 0.00 C ATOM 467 O GLY A 34 -14.536 7.582 -13.959 1.00 0.00 O ATOM 0 H GLY A 34 -10.660 7.413 -13.623 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.552 8.209 -12.373 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.658 9.599 -13.434 1.00 0.00 H new ATOM 471 N LYS A 35 -12.876 7.348 -15.459 1.00 0.00 N ATOM 472 CA LYS A 35 -13.693 6.606 -16.412 1.00 0.00 C ATOM 473 C LYS A 35 -14.384 5.427 -15.734 1.00 0.00 C ATOM 474 O LYS A 35 -13.728 4.507 -15.246 1.00 0.00 O ATOM 475 CB LYS A 35 -12.831 6.106 -17.573 1.00 0.00 C ATOM 476 CG LYS A 35 -13.600 5.935 -18.872 1.00 0.00 C ATOM 477 CD LYS A 35 -12.673 5.956 -20.076 1.00 0.00 C ATOM 478 CE LYS A 35 -12.370 7.379 -20.520 1.00 0.00 C ATOM 479 NZ LYS A 35 -11.334 7.417 -21.589 1.00 0.00 N ATOM 0 H LYS A 35 -11.913 7.501 -15.759 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.458 7.280 -16.799 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.012 6.807 -17.735 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.383 5.151 -17.297 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.148 4.993 -18.850 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.338 6.731 -18.966 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.743 5.445 -19.829 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -13.130 5.406 -20.899 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.284 7.849 -20.883 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.030 7.962 -19.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.155 8.404 -21.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.454 6.992 -21.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.668 6.882 -22.416 1.00 0.00 H new ATOM 493 N VAL A 36 -15.713 5.460 -15.709 1.00 0.00 N ATOM 494 CA VAL A 36 -16.493 4.393 -15.093 1.00 0.00 C ATOM 495 C VAL A 36 -16.494 3.142 -15.963 1.00 0.00 C ATOM 496 O VAL A 36 -16.496 3.226 -17.191 1.00 0.00 O ATOM 497 CB VAL A 36 -17.947 4.834 -14.844 1.00 0.00 C ATOM 498 CG1 VAL A 36 -18.708 4.935 -16.158 1.00 0.00 C ATOM 499 CG2 VAL A 36 -18.639 3.871 -13.891 1.00 0.00 C ATOM 0 H VAL A 36 -16.272 6.214 -16.108 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.021 4.166 -14.137 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.935 5.821 -14.382 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.733 5.248 -15.961 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.223 5.667 -16.804 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.713 3.963 -16.651 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.666 4.197 -13.726 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.641 2.870 -14.323 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -18.106 3.854 -12.940 1.00 0.00 H new ATOM 509 N PHE A 37 -16.494 1.980 -15.318 1.00 0.00 N ATOM 510 CA PHE A 37 -16.495 0.709 -16.033 1.00 0.00 C ATOM 511 C PHE A 37 -17.609 -0.201 -15.524 1.00 0.00 C ATOM 512 O PHE A 37 -18.416 0.198 -14.684 1.00 0.00 O ATOM 513 CB PHE A 37 -15.141 0.011 -15.879 1.00 0.00 C ATOM 514 CG PHE A 37 -14.163 0.354 -16.966 1.00 0.00 C ATOM 515 CD1 PHE A 37 -13.557 1.599 -17.004 1.00 0.00 C ATOM 516 CD2 PHE A 37 -13.851 -0.570 -17.951 1.00 0.00 C ATOM 517 CE1 PHE A 37 -12.656 1.917 -18.004 1.00 0.00 C ATOM 518 CE2 PHE A 37 -12.951 -0.258 -18.952 1.00 0.00 C ATOM 519 CZ PHE A 37 -12.354 0.988 -18.979 1.00 0.00 C ATOM 0 H PHE A 37 -16.493 1.892 -14.302 1.00 0.00 H new ATOM 0 HA PHE A 37 -16.672 0.915 -17.089 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.710 0.281 -14.915 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -15.296 -1.068 -15.868 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.791 2.330 -16.244 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -14.316 -1.544 -17.936 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.189 2.891 -18.022 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.714 -0.987 -19.713 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.652 1.234 -19.762 1.00 0.00 H new ATOM 529 N ASP A 38 -17.646 -1.425 -16.038 1.00 0.00 N ATOM 530 CA ASP A 38 -18.661 -2.393 -15.636 1.00 0.00 C ATOM 531 C ASP A 38 -18.635 -2.612 -14.127 1.00 0.00 C ATOM 532 O ASP A 38 -17.569 -2.760 -13.529 1.00 0.00 O ATOM 533 CB ASP A 38 -18.444 -3.722 -16.361 1.00 0.00 C ATOM 534 CG ASP A 38 -19.740 -4.472 -16.596 1.00 0.00 C ATOM 535 OD1 ASP A 38 -20.423 -4.176 -17.600 1.00 0.00 O ATOM 536 OD2 ASP A 38 -20.072 -5.354 -15.778 1.00 0.00 O ATOM 0 H ASP A 38 -16.985 -1.771 -16.734 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.638 -1.994 -15.910 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -17.957 -3.535 -17.318 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.768 -4.345 -15.776 1.00 0.00 H new ATOM 541 N SER A 39 -19.815 -2.630 -13.516 1.00 0.00 N ATOM 542 CA SER A 39 -19.928 -2.825 -12.075 1.00 0.00 C ATOM 543 C SER A 39 -20.827 -4.016 -11.758 1.00 0.00 C ATOM 544 O SER A 39 -21.724 -4.355 -12.530 1.00 0.00 O ATOM 545 CB SER A 39 -20.479 -1.563 -11.409 1.00 0.00 C ATOM 546 OG SER A 39 -21.709 -1.173 -11.995 1.00 0.00 O ATOM 0 H SER A 39 -20.707 -2.512 -13.996 1.00 0.00 H new ATOM 0 HA SER A 39 -18.932 -3.028 -11.681 1.00 0.00 H new ATOM 0 HB2 SER A 39 -20.621 -1.743 -10.343 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.755 -0.753 -11.502 1.00 0.00 H new ATOM 0 HG SER A 39 -22.041 -0.365 -11.551 1.00 0.00 H new ATOM 552 N SER A 40 -20.581 -4.647 -10.614 1.00 0.00 N ATOM 553 CA SER A 40 -21.365 -5.803 -10.194 1.00 0.00 C ATOM 554 C SER A 40 -22.707 -5.367 -9.615 1.00 0.00 C ATOM 555 O SER A 40 -23.623 -6.176 -9.464 1.00 0.00 O ATOM 556 CB SER A 40 -20.592 -6.622 -9.159 1.00 0.00 C ATOM 557 OG SER A 40 -20.557 -7.993 -9.516 1.00 0.00 O ATOM 0 H SER A 40 -19.845 -4.377 -9.961 1.00 0.00 H new ATOM 0 HA SER A 40 -21.551 -6.423 -11.071 1.00 0.00 H new ATOM 0 HB2 SER A 40 -19.575 -6.239 -9.074 1.00 0.00 H new ATOM 0 HB3 SER A 40 -21.058 -6.510 -8.180 1.00 0.00 H new ATOM 0 HG SER A 40 -19.630 -8.310 -9.505 1.00 0.00 H new ATOM 563 N ARG A 41 -22.816 -4.082 -9.292 1.00 0.00 N ATOM 564 CA ARG A 41 -24.045 -3.538 -8.728 1.00 0.00 C ATOM 565 C ARG A 41 -25.089 -3.311 -9.818 1.00 0.00 C ATOM 566 O ARG A 41 -26.293 -3.372 -9.563 1.00 0.00 O ATOM 567 CB ARG A 41 -23.759 -2.223 -8.000 1.00 0.00 C ATOM 568 CG ARG A 41 -22.694 -2.343 -6.923 1.00 0.00 C ATOM 569 CD ARG A 41 -21.921 -1.044 -6.756 1.00 0.00 C ATOM 570 NE ARG A 41 -22.772 0.041 -6.275 1.00 0.00 N ATOM 571 CZ ARG A 41 -22.356 1.295 -6.135 1.00 0.00 C ATOM 572 NH1 ARG A 41 -21.107 1.620 -6.439 1.00 0.00 N ATOM 573 NH2 ARG A 41 -23.190 2.226 -5.692 1.00 0.00 N ATOM 0 H ARG A 41 -22.068 -3.399 -9.411 1.00 0.00 H new ATOM 0 HA ARG A 41 -24.440 -4.262 -8.015 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -23.445 -1.475 -8.728 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -24.682 -1.860 -7.548 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -23.161 -2.614 -5.976 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -22.005 -3.147 -7.180 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -21.100 -1.198 -6.056 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -21.477 -0.761 -7.710 1.00 0.00 H new ATOM 0 HE ARG A 41 -23.739 -0.176 -6.033 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -20.463 0.907 -6.781 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -20.790 2.583 -6.331 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -24.152 1.980 -5.458 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -22.870 3.188 -5.585 1.00 0.00 H new ATOM 587 N THR A 42 -24.621 -3.049 -11.034 1.00 0.00 N ATOM 588 CA THR A 42 -25.513 -2.811 -12.162 1.00 0.00 C ATOM 589 C THR A 42 -26.546 -3.925 -12.290 1.00 0.00 C ATOM 590 O THR A 42 -27.659 -3.700 -12.766 1.00 0.00 O ATOM 591 CB THR A 42 -24.730 -2.698 -13.483 1.00 0.00 C ATOM 592 OG1 THR A 42 -23.828 -1.588 -13.425 1.00 0.00 O ATOM 593 CG2 THR A 42 -25.678 -2.527 -14.661 1.00 0.00 C ATOM 0 H THR A 42 -23.628 -2.996 -11.263 1.00 0.00 H new ATOM 0 HA THR A 42 -26.023 -1.867 -11.969 1.00 0.00 H new ATOM 0 HB THR A 42 -24.163 -3.618 -13.624 1.00 0.00 H new ATOM 0 HG1 THR A 42 -23.053 -1.825 -12.874 1.00 0.00 H new ATOM 0 HG21 THR A 42 -25.102 -2.449 -15.583 1.00 0.00 H new ATOM 0 HG22 THR A 42 -26.344 -3.388 -14.720 1.00 0.00 H new ATOM 0 HG23 THR A 42 -26.268 -1.621 -14.524 1.00 0.00 H new ATOM 601 N ARG A 43 -26.171 -5.125 -11.861 1.00 0.00 N ATOM 602 CA ARG A 43 -27.066 -6.274 -11.929 1.00 0.00 C ATOM 603 C ARG A 43 -27.518 -6.694 -10.533 1.00 0.00 C ATOM 604 O ARG A 43 -28.451 -7.482 -10.382 1.00 0.00 O ATOM 605 CB ARG A 43 -26.373 -7.447 -12.625 1.00 0.00 C ATOM 606 CG ARG A 43 -27.228 -8.702 -12.701 1.00 0.00 C ATOM 607 CD ARG A 43 -26.658 -9.705 -13.691 1.00 0.00 C ATOM 608 NE ARG A 43 -27.395 -10.966 -13.678 1.00 0.00 N ATOM 609 CZ ARG A 43 -27.036 -12.034 -14.381 1.00 0.00 C ATOM 610 NH1 ARG A 43 -25.955 -11.995 -15.148 1.00 0.00 N ATOM 611 NH2 ARG A 43 -27.759 -13.145 -14.317 1.00 0.00 N ATOM 0 H ARG A 43 -25.254 -5.327 -11.463 1.00 0.00 H new ATOM 0 HA ARG A 43 -27.944 -5.985 -12.506 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -26.094 -7.146 -13.635 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -25.449 -7.679 -12.095 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -27.293 -9.160 -11.714 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -28.243 -8.435 -12.996 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -26.685 -9.280 -14.694 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -25.611 -9.894 -13.453 1.00 0.00 H new ATOM 0 HE ARG A 43 -28.231 -11.030 -13.097 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -25.397 -11.143 -15.199 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -25.682 -12.817 -15.687 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -28.591 -13.179 -13.728 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -27.483 -13.965 -14.857 1.00 0.00 H new ATOM 625 N GLY A 44 -26.850 -6.160 -9.514 1.00 0.00 N ATOM 626 CA GLY A 44 -27.198 -6.491 -8.145 1.00 0.00 C ATOM 627 C GLY A 44 -26.586 -7.802 -7.692 1.00 0.00 C ATOM 628 O GLY A 44 -27.135 -8.488 -6.829 1.00 0.00 O ATOM 0 H GLY A 44 -26.075 -5.505 -9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -26.864 -5.690 -7.485 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -28.283 -6.549 -8.053 1.00 0.00 H new ATOM 632 N LYS A 45 -25.446 -8.155 -8.277 1.00 0.00 N ATOM 633 CA LYS A 45 -24.758 -9.393 -7.930 1.00 0.00 C ATOM 634 C LYS A 45 -23.419 -9.102 -7.259 1.00 0.00 C ATOM 635 O LYS A 45 -22.385 -8.973 -7.914 1.00 0.00 O ATOM 636 CB LYS A 45 -24.539 -10.246 -9.181 1.00 0.00 C ATOM 637 CG LYS A 45 -23.907 -9.485 -10.334 1.00 0.00 C ATOM 638 CD LYS A 45 -22.901 -10.343 -11.083 1.00 0.00 C ATOM 639 CE LYS A 45 -23.567 -11.546 -11.731 1.00 0.00 C ATOM 640 NZ LYS A 45 -22.685 -12.191 -12.743 1.00 0.00 N ATOM 0 H LYS A 45 -24.979 -7.600 -8.994 1.00 0.00 H new ATOM 0 HA LYS A 45 -25.384 -9.943 -7.227 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -23.904 -11.094 -8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -25.497 -10.651 -9.506 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -24.685 -9.151 -11.021 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.413 -8.591 -9.954 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -22.408 -9.743 -11.848 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -22.126 -10.682 -10.395 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -23.830 -12.273 -10.963 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.497 -11.234 -12.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.176 -13.007 -13.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.454 -11.505 -13.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -21.808 -12.512 -12.285 1.00 0.00 H new ATOM 654 N PRO A 46 -23.437 -8.997 -5.922 1.00 0.00 N ATOM 655 CA PRO A 46 -22.231 -8.723 -5.134 1.00 0.00 C ATOM 656 C PRO A 46 -21.262 -9.900 -5.128 1.00 0.00 C ATOM 657 O PRO A 46 -21.676 -11.058 -5.190 1.00 0.00 O ATOM 658 CB PRO A 46 -22.778 -8.472 -3.726 1.00 0.00 C ATOM 659 CG PRO A 46 -24.070 -9.211 -3.684 1.00 0.00 C ATOM 660 CD PRO A 46 -24.634 -9.140 -5.077 1.00 0.00 C ATOM 0 HA PRO A 46 -21.660 -7.888 -5.540 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -22.089 -8.835 -2.963 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -22.925 -7.408 -3.542 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -23.918 -10.246 -3.377 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -24.753 -8.762 -2.963 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -25.198 -10.038 -5.328 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -25.312 -8.294 -5.194 1.00 0.00 H new ATOM 668 N PHE A 47 -19.971 -9.597 -5.051 1.00 0.00 N ATOM 669 CA PHE A 47 -18.942 -10.631 -5.037 1.00 0.00 C ATOM 670 C PHE A 47 -18.618 -11.055 -3.608 1.00 0.00 C ATOM 671 O PHE A 47 -18.374 -10.217 -2.740 1.00 0.00 O ATOM 672 CB PHE A 47 -17.675 -10.129 -5.732 1.00 0.00 C ATOM 673 CG PHE A 47 -16.896 -11.216 -6.415 1.00 0.00 C ATOM 674 CD1 PHE A 47 -17.374 -11.806 -7.574 1.00 0.00 C ATOM 675 CD2 PHE A 47 -15.685 -11.648 -5.898 1.00 0.00 C ATOM 676 CE1 PHE A 47 -16.659 -12.806 -8.205 1.00 0.00 C ATOM 677 CE2 PHE A 47 -14.965 -12.647 -6.525 1.00 0.00 C ATOM 678 CZ PHE A 47 -15.453 -13.228 -7.680 1.00 0.00 C ATOM 0 H PHE A 47 -19.612 -8.644 -4.997 1.00 0.00 H new ATOM 0 HA PHE A 47 -19.325 -11.497 -5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -17.949 -9.372 -6.467 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -17.035 -9.642 -4.996 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -18.316 -11.480 -7.989 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.300 -11.199 -4.995 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.043 -13.257 -9.108 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -14.022 -12.973 -6.113 1.00 0.00 H new ATOM 0 HZ PHE A 47 -14.893 -14.010 -8.171 1.00 0.00 H new ATOM 688 N ARG A 48 -18.617 -12.363 -3.371 1.00 0.00 N ATOM 689 CA ARG A 48 -18.325 -12.900 -2.047 1.00 0.00 C ATOM 690 C ARG A 48 -17.188 -13.916 -2.112 1.00 0.00 C ATOM 691 O ARG A 48 -17.114 -14.723 -3.039 1.00 0.00 O ATOM 692 CB ARG A 48 -19.573 -13.553 -1.451 1.00 0.00 C ATOM 693 CG ARG A 48 -20.153 -14.660 -2.316 1.00 0.00 C ATOM 694 CD ARG A 48 -20.674 -15.812 -1.470 1.00 0.00 C ATOM 695 NE ARG A 48 -21.061 -16.959 -2.287 1.00 0.00 N ATOM 696 CZ ARG A 48 -20.191 -17.824 -2.799 1.00 0.00 C ATOM 697 NH1 ARG A 48 -18.893 -17.672 -2.579 1.00 0.00 N ATOM 698 NH2 ARG A 48 -20.621 -18.843 -3.532 1.00 0.00 N ATOM 0 H ARG A 48 -18.815 -13.070 -4.079 1.00 0.00 H new ATOM 0 HA ARG A 48 -18.016 -12.074 -1.407 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -19.326 -13.961 -0.471 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -20.334 -12.788 -1.296 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -20.963 -14.260 -2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -19.388 -15.027 -3.001 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -19.906 -16.116 -0.759 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.532 -15.475 -0.888 1.00 0.00 H new ATOM 0 HE ARG A 48 -22.053 -17.104 -2.475 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -18.559 -16.890 -2.016 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -18.228 -18.337 -2.973 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -21.619 -18.963 -3.703 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.953 -19.506 -3.925 1.00 0.00 H new ATOM 712 N PHE A 49 -16.303 -13.870 -1.121 1.00 0.00 N ATOM 713 CA PHE A 49 -15.169 -14.785 -1.066 1.00 0.00 C ATOM 714 C PHE A 49 -14.476 -14.710 0.291 1.00 0.00 C ATOM 715 O PHE A 49 -14.840 -13.899 1.144 1.00 0.00 O ATOM 716 CB PHE A 49 -14.171 -14.462 -2.180 1.00 0.00 C ATOM 717 CG PHE A 49 -13.608 -13.072 -2.095 1.00 0.00 C ATOM 718 CD1 PHE A 49 -14.248 -12.012 -2.717 1.00 0.00 C ATOM 719 CD2 PHE A 49 -12.438 -12.826 -1.395 1.00 0.00 C ATOM 720 CE1 PHE A 49 -13.732 -10.732 -2.641 1.00 0.00 C ATOM 721 CE2 PHE A 49 -11.918 -11.548 -1.315 1.00 0.00 C ATOM 722 CZ PHE A 49 -12.565 -10.500 -1.940 1.00 0.00 C ATOM 0 H PHE A 49 -16.350 -13.209 -0.346 1.00 0.00 H new ATOM 0 HA PHE A 49 -15.544 -15.799 -1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -13.352 -15.180 -2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -14.662 -14.588 -3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -15.160 -12.188 -3.267 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -11.927 -13.642 -0.906 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -14.241 -9.914 -3.129 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -11.006 -11.369 -0.764 1.00 0.00 H new ATOM 0 HZ PHE A 49 -12.159 -9.501 -1.881 1.00 0.00 H new ATOM 732 N THR A 50 -13.473 -15.561 0.485 1.00 0.00 N ATOM 733 CA THR A 50 -12.729 -15.594 1.738 1.00 0.00 C ATOM 734 C THR A 50 -11.539 -14.642 1.695 1.00 0.00 C ATOM 735 O THR A 50 -10.586 -14.857 0.947 1.00 0.00 O ATOM 736 CB THR A 50 -12.224 -17.014 2.055 1.00 0.00 C ATOM 737 OG1 THR A 50 -13.322 -17.934 2.060 1.00 0.00 O ATOM 738 CG2 THR A 50 -11.520 -17.050 3.402 1.00 0.00 C ATOM 0 H THR A 50 -13.157 -16.237 -0.210 1.00 0.00 H new ATOM 0 HA THR A 50 -13.417 -15.278 2.522 1.00 0.00 H new ATOM 0 HB THR A 50 -11.511 -17.303 1.283 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.993 -18.835 2.261 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.172 -18.063 3.604 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.668 -16.370 3.385 1.00 0.00 H new ATOM 0 HG23 THR A 50 -12.214 -16.742 4.184 1.00 0.00 H new ATOM 746 N VAL A 51 -11.601 -13.588 2.503 1.00 0.00 N ATOM 747 CA VAL A 51 -10.527 -12.604 2.559 1.00 0.00 C ATOM 748 C VAL A 51 -9.223 -13.239 3.029 1.00 0.00 C ATOM 749 O VAL A 51 -9.048 -13.517 4.214 1.00 0.00 O ATOM 750 CB VAL A 51 -10.884 -11.436 3.499 1.00 0.00 C ATOM 751 CG1 VAL A 51 -9.864 -10.316 3.370 1.00 0.00 C ATOM 752 CG2 VAL A 51 -12.287 -10.927 3.205 1.00 0.00 C ATOM 0 H VAL A 51 -12.384 -13.394 3.128 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.397 -12.220 1.547 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.861 -11.799 4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.133 -9.500 4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.875 -10.692 3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.852 -9.952 2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.523 -10.102 3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.339 -10.580 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.005 -11.733 3.353 1.00 0.00 H new ATOM 762 N GLY A 52 -8.309 -13.465 2.090 1.00 0.00 N ATOM 763 CA GLY A 52 -7.032 -14.066 2.427 1.00 0.00 C ATOM 764 C GLY A 52 -6.725 -15.287 1.583 1.00 0.00 C ATOM 765 O GLY A 52 -5.582 -15.739 1.527 1.00 0.00 O ATOM 0 H GLY A 52 -8.430 -13.242 1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.241 -13.328 2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.033 -14.347 3.480 1.00 0.00 H new ATOM 769 N ARG A 53 -7.749 -15.823 0.927 1.00 0.00 N ATOM 770 CA ARG A 53 -7.583 -17.001 0.084 1.00 0.00 C ATOM 771 C ARG A 53 -6.990 -16.623 -1.270 1.00 0.00 C ATOM 772 O ARG A 53 -6.882 -15.444 -1.604 1.00 0.00 O ATOM 773 CB ARG A 53 -8.927 -17.705 -0.114 1.00 0.00 C ATOM 774 CG ARG A 53 -9.304 -18.632 1.030 1.00 0.00 C ATOM 775 CD ARG A 53 -8.461 -19.897 1.023 1.00 0.00 C ATOM 776 NE ARG A 53 -8.308 -20.460 2.362 1.00 0.00 N ATOM 777 CZ ARG A 53 -9.293 -21.051 3.028 1.00 0.00 C ATOM 778 NH1 ARG A 53 -10.497 -21.157 2.481 1.00 0.00 N ATOM 779 NH2 ARG A 53 -9.076 -21.539 4.243 1.00 0.00 N ATOM 0 H ARG A 53 -8.702 -15.461 0.963 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.894 -17.681 0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.707 -16.953 -0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.894 -18.279 -1.040 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.174 -18.112 1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.359 -18.896 0.953 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.923 -20.637 0.369 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.478 -19.675 0.608 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.394 -20.396 2.810 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.667 -20.784 1.547 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.252 -21.611 2.994 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.151 -21.460 4.667 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.834 -21.993 4.753 1.00 0.00 H new ATOM 793 N GLY A 54 -6.606 -17.633 -2.045 1.00 0.00 N ATOM 794 CA GLY A 54 -6.029 -17.385 -3.353 1.00 0.00 C ATOM 795 C GLY A 54 -7.071 -17.371 -4.454 1.00 0.00 C ATOM 796 O GLY A 54 -6.741 -17.514 -5.631 1.00 0.00 O ATOM 0 H GLY A 54 -6.684 -18.618 -1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.506 -16.429 -3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.286 -18.152 -3.570 1.00 0.00 H new ATOM 800 N GLU A 55 -8.332 -17.199 -4.071 1.00 0.00 N ATOM 801 CA GLU A 55 -9.425 -17.169 -5.035 1.00 0.00 C ATOM 802 C GLU A 55 -9.584 -15.775 -5.635 1.00 0.00 C ATOM 803 O GLU A 55 -10.143 -15.614 -6.720 1.00 0.00 O ATOM 804 CB GLU A 55 -10.733 -17.602 -4.370 1.00 0.00 C ATOM 805 CG GLU A 55 -10.710 -19.030 -3.852 1.00 0.00 C ATOM 806 CD GLU A 55 -10.414 -20.041 -4.943 1.00 0.00 C ATOM 807 OE1 GLU A 55 -11.225 -20.153 -5.885 1.00 0.00 O ATOM 808 OE2 GLU A 55 -9.370 -20.721 -4.853 1.00 0.00 O ATOM 0 H GLU A 55 -8.622 -17.078 -3.100 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.186 -17.866 -5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.950 -16.928 -3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.547 -17.498 -5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.958 -19.116 -3.068 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.673 -19.263 -3.397 1.00 0.00 H new ATOM 815 N VAL A 56 -9.087 -14.770 -4.921 1.00 0.00 N ATOM 816 CA VAL A 56 -9.173 -13.389 -5.382 1.00 0.00 C ATOM 817 C VAL A 56 -7.785 -12.796 -5.602 1.00 0.00 C ATOM 818 O VAL A 56 -6.774 -13.477 -5.428 1.00 0.00 O ATOM 819 CB VAL A 56 -9.942 -12.509 -4.379 1.00 0.00 C ATOM 820 CG1 VAL A 56 -11.430 -12.820 -4.428 1.00 0.00 C ATOM 821 CG2 VAL A 56 -9.395 -12.702 -2.973 1.00 0.00 C ATOM 0 H VAL A 56 -8.621 -14.886 -4.021 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.713 -13.404 -6.329 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.804 -11.464 -4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.957 -12.189 -3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.809 -12.627 -5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.591 -13.868 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.950 -12.073 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.501 -13.747 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.341 -12.425 -2.951 1.00 0.00 H new ATOM 831 N ILE A 57 -7.745 -11.524 -5.983 1.00 0.00 N ATOM 832 CA ILE A 57 -6.482 -10.839 -6.225 1.00 0.00 C ATOM 833 C ILE A 57 -5.993 -10.127 -4.968 1.00 0.00 C ATOM 834 O ILE A 57 -6.762 -9.898 -4.034 1.00 0.00 O ATOM 835 CB ILE A 57 -6.607 -9.814 -7.367 1.00 0.00 C ATOM 836 CG1 ILE A 57 -7.741 -8.829 -7.075 1.00 0.00 C ATOM 837 CG2 ILE A 57 -6.841 -10.523 -8.692 1.00 0.00 C ATOM 838 CD1 ILE A 57 -7.437 -7.412 -7.507 1.00 0.00 C ATOM 0 H ILE A 57 -8.573 -10.947 -6.131 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.759 -11.603 -6.511 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.674 -9.254 -7.437 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.645 -9.168 -7.581 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.952 -8.837 -6.006 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.927 -9.785 -9.489 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.003 -11.188 -8.902 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.761 -11.105 -8.636 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.285 -6.769 -7.269 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.551 -7.054 -6.982 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.256 -7.390 -8.582 1.00 0.00 H new ATOM 850 N ARG A 58 -4.711 -9.777 -4.953 1.00 0.00 N ATOM 851 CA ARG A 58 -4.120 -9.090 -3.811 1.00 0.00 C ATOM 852 C ARG A 58 -4.898 -7.820 -3.479 1.00 0.00 C ATOM 853 O ARG A 58 -5.259 -7.584 -2.327 1.00 0.00 O ATOM 854 CB ARG A 58 -2.658 -8.745 -4.098 1.00 0.00 C ATOM 855 CG ARG A 58 -1.842 -9.923 -4.604 1.00 0.00 C ATOM 856 CD ARG A 58 -1.903 -11.099 -3.642 1.00 0.00 C ATOM 857 NE ARG A 58 -0.880 -12.099 -3.932 1.00 0.00 N ATOM 858 CZ ARG A 58 -0.869 -13.316 -3.400 1.00 0.00 C ATOM 859 NH1 ARG A 58 -1.822 -13.681 -2.554 1.00 0.00 N ATOM 860 NH2 ARG A 58 0.097 -14.170 -3.714 1.00 0.00 N ATOM 0 H ARG A 58 -4.062 -9.958 -5.719 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.166 -9.759 -2.952 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.621 -7.944 -4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.199 -8.360 -3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.214 -10.231 -5.581 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.805 -9.617 -4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.778 -10.738 -2.621 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.888 -11.562 -3.698 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.132 -11.849 -4.579 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.566 -13.027 -2.310 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.812 -14.616 -2.147 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.832 -13.892 -4.364 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.105 -15.104 -3.305 1.00 0.00 H new ATOM 874 N GLY A 59 -5.152 -7.004 -4.498 1.00 0.00 N ATOM 875 CA GLY A 59 -5.884 -5.768 -4.293 1.00 0.00 C ATOM 876 C GLY A 59 -7.141 -5.968 -3.469 1.00 0.00 C ATOM 877 O GLY A 59 -7.311 -5.341 -2.423 1.00 0.00 O ATOM 0 H GLY A 59 -4.864 -7.177 -5.461 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.238 -5.045 -3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.151 -5.343 -5.260 1.00 0.00 H new ATOM 881 N TRP A 60 -8.023 -6.841 -3.941 1.00 0.00 N ATOM 882 CA TRP A 60 -9.271 -7.121 -3.241 1.00 0.00 C ATOM 883 C TRP A 60 -9.002 -7.615 -1.824 1.00 0.00 C ATOM 884 O TRP A 60 -9.650 -7.181 -0.871 1.00 0.00 O ATOM 885 CB TRP A 60 -10.090 -8.159 -4.010 1.00 0.00 C ATOM 886 CG TRP A 60 -10.851 -7.580 -5.164 1.00 0.00 C ATOM 887 CD1 TRP A 60 -10.901 -6.266 -5.535 1.00 0.00 C ATOM 888 CD2 TRP A 60 -11.670 -8.294 -6.095 1.00 0.00 C ATOM 889 NE1 TRP A 60 -11.704 -6.122 -6.641 1.00 0.00 N ATOM 890 CE2 TRP A 60 -12.187 -7.351 -7.005 1.00 0.00 C ATOM 891 CE3 TRP A 60 -12.017 -9.639 -6.250 1.00 0.00 C ATOM 892 CZ2 TRP A 60 -13.031 -7.711 -8.052 1.00 0.00 C ATOM 893 CZ3 TRP A 60 -12.855 -9.995 -7.289 1.00 0.00 C ATOM 894 CH2 TRP A 60 -13.354 -9.035 -8.180 1.00 0.00 C ATOM 0 H TRP A 60 -7.897 -7.367 -4.806 1.00 0.00 H new ATOM 0 HA TRP A 60 -9.840 -6.193 -3.180 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.422 -8.937 -4.379 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -10.791 -8.638 -3.326 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -10.386 -5.460 -5.034 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -11.908 -5.242 -7.114 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -11.637 -10.387 -5.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -13.417 -6.972 -8.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -13.130 -11.031 -7.417 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -14.006 -9.346 -8.983 1.00 0.00 H new ATOM 905 N ASP A 61 -8.043 -8.525 -1.692 1.00 0.00 N ATOM 906 CA ASP A 61 -7.687 -9.077 -0.390 1.00 0.00 C ATOM 907 C ASP A 61 -7.480 -7.966 0.634 1.00 0.00 C ATOM 908 O ASP A 61 -8.217 -7.868 1.615 1.00 0.00 O ATOM 909 CB ASP A 61 -6.420 -9.927 -0.502 1.00 0.00 C ATOM 910 CG ASP A 61 -6.402 -11.072 0.491 1.00 0.00 C ATOM 911 OD1 ASP A 61 -7.171 -11.018 1.474 1.00 0.00 O ATOM 912 OD2 ASP A 61 -5.617 -12.023 0.287 1.00 0.00 O ATOM 0 H ASP A 61 -7.498 -8.896 -2.471 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.510 -9.707 -0.053 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.342 -10.326 -1.513 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.547 -9.295 -0.340 1.00 0.00 H new ATOM 917 N GLU A 62 -6.473 -7.131 0.399 1.00 0.00 N ATOM 918 CA GLU A 62 -6.169 -6.028 1.303 1.00 0.00 C ATOM 919 C GLU A 62 -7.311 -5.017 1.330 1.00 0.00 C ATOM 920 O GLU A 62 -7.728 -4.563 2.395 1.00 0.00 O ATOM 921 CB GLU A 62 -4.871 -5.336 0.881 1.00 0.00 C ATOM 922 CG GLU A 62 -3.621 -6.135 1.210 1.00 0.00 C ATOM 923 CD GLU A 62 -2.385 -5.264 1.322 1.00 0.00 C ATOM 924 OE1 GLU A 62 -2.522 -4.084 1.709 1.00 0.00 O ATOM 925 OE2 GLU A 62 -1.279 -5.762 1.024 1.00 0.00 O ATOM 0 H GLU A 62 -5.854 -7.197 -0.409 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.045 -6.437 2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.901 -5.150 -0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.811 -4.365 1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.772 -6.668 2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.462 -6.888 0.438 1.00 0.00 H new ATOM 932 N GLY A 63 -7.813 -4.667 0.149 1.00 0.00 N ATOM 933 CA GLY A 63 -8.902 -3.712 0.059 1.00 0.00 C ATOM 934 C GLY A 63 -10.057 -4.061 0.976 1.00 0.00 C ATOM 935 O GLY A 63 -10.374 -3.312 1.900 1.00 0.00 O ATOM 0 H GLY A 63 -7.485 -5.028 -0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.531 -2.718 0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.259 -3.669 -0.970 1.00 0.00 H new ATOM 939 N VAL A 64 -10.690 -5.202 0.720 1.00 0.00 N ATOM 940 CA VAL A 64 -11.817 -5.649 1.529 1.00 0.00 C ATOM 941 C VAL A 64 -11.397 -5.883 2.976 1.00 0.00 C ATOM 942 O VAL A 64 -12.175 -5.659 3.903 1.00 0.00 O ATOM 943 CB VAL A 64 -12.432 -6.945 0.968 1.00 0.00 C ATOM 944 CG1 VAL A 64 -11.478 -8.114 1.158 1.00 0.00 C ATOM 945 CG2 VAL A 64 -13.773 -7.227 1.629 1.00 0.00 C ATOM 0 H VAL A 64 -10.441 -5.833 -0.042 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.565 -4.857 1.495 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.600 -6.815 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.929 -9.021 0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.544 -7.910 0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.276 -8.250 2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.194 -8.146 1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.632 -7.338 2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.455 -6.399 1.436 1.00 0.00 H new ATOM 955 N ALA A 65 -10.161 -6.335 3.161 1.00 0.00 N ATOM 956 CA ALA A 65 -9.636 -6.598 4.495 1.00 0.00 C ATOM 957 C ALA A 65 -9.694 -5.346 5.364 1.00 0.00 C ATOM 958 O ALA A 65 -9.951 -5.425 6.565 1.00 0.00 O ATOM 959 CB ALA A 65 -8.208 -7.116 4.408 1.00 0.00 C ATOM 0 H ALA A 65 -9.505 -6.527 2.404 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.260 -7.361 4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.829 -7.308 5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.191 -8.040 3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.580 -6.371 3.919 1.00 0.00 H new ATOM 965 N GLN A 66 -9.454 -4.192 4.749 1.00 0.00 N ATOM 966 CA GLN A 66 -9.477 -2.924 5.469 1.00 0.00 C ATOM 967 C GLN A 66 -10.804 -2.203 5.256 1.00 0.00 C ATOM 968 O GLN A 66 -10.869 -0.975 5.311 1.00 0.00 O ATOM 969 CB GLN A 66 -8.320 -2.034 5.014 1.00 0.00 C ATOM 970 CG GLN A 66 -6.952 -2.670 5.203 1.00 0.00 C ATOM 971 CD GLN A 66 -5.872 -1.983 4.392 1.00 0.00 C ATOM 972 OE1 GLN A 66 -4.955 -1.375 4.946 1.00 0.00 O ATOM 973 NE2 GLN A 66 -5.973 -2.076 3.071 1.00 0.00 N ATOM 0 H GLN A 66 -9.242 -4.109 3.755 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.366 -3.136 6.532 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.455 -1.788 3.961 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.355 -1.096 5.568 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.684 -2.638 6.259 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.002 -3.721 4.918 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.749 -2.590 2.654 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.274 -1.634 2.474 1.00 0.00 H new ATOM 982 N MET A 67 -11.859 -2.973 5.011 1.00 0.00 N ATOM 983 CA MET A 67 -13.184 -2.407 4.791 1.00 0.00 C ATOM 984 C MET A 67 -14.140 -2.807 5.910 1.00 0.00 C ATOM 985 O MET A 67 -13.953 -3.837 6.559 1.00 0.00 O ATOM 986 CB MET A 67 -13.740 -2.865 3.441 1.00 0.00 C ATOM 987 CG MET A 67 -13.130 -2.137 2.254 1.00 0.00 C ATOM 988 SD MET A 67 -13.986 -0.597 1.869 1.00 0.00 S ATOM 989 CE MET A 67 -15.592 -1.217 1.376 1.00 0.00 C ATOM 0 H MET A 67 -11.822 -3.991 4.960 1.00 0.00 H new ATOM 0 HA MET A 67 -13.091 -1.321 4.788 1.00 0.00 H new ATOM 0 HB2 MET A 67 -13.565 -3.935 3.329 1.00 0.00 H new ATOM 0 HB3 MET A 67 -14.820 -2.716 3.432 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.082 -1.923 2.463 1.00 0.00 H new ATOM 0 HG3 MET A 67 -13.154 -2.789 1.381 1.00 0.00 H new ATOM 0 HE1 MET A 67 -16.177 -0.407 0.940 1.00 0.00 H new ATOM 0 HE2 MET A 67 -15.465 -2.010 0.639 1.00 0.00 H new ATOM 0 HE3 MET A 67 -16.113 -1.612 2.248 1.00 0.00 H new ATOM 999 N SER A 68 -15.163 -1.988 6.131 1.00 0.00 N ATOM 1000 CA SER A 68 -16.145 -2.256 7.175 1.00 0.00 C ATOM 1001 C SER A 68 -17.534 -2.459 6.575 1.00 0.00 C ATOM 1002 O SER A 68 -17.887 -1.837 5.573 1.00 0.00 O ATOM 1003 CB SER A 68 -16.176 -1.105 8.182 1.00 0.00 C ATOM 1004 OG SER A 68 -16.189 0.150 7.524 1.00 0.00 O ATOM 0 H SER A 68 -15.333 -1.133 5.601 1.00 0.00 H new ATOM 0 HA SER A 68 -15.852 -3.172 7.689 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.058 -1.196 8.815 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.306 -1.167 8.836 1.00 0.00 H new ATOM 0 HG SER A 68 -15.612 0.778 8.007 1.00 0.00 H new ATOM 1010 N VAL A 69 -18.317 -3.335 7.196 1.00 0.00 N ATOM 1011 CA VAL A 69 -19.667 -3.620 6.726 1.00 0.00 C ATOM 1012 C VAL A 69 -20.470 -2.337 6.546 1.00 0.00 C ATOM 1013 O VAL A 69 -20.587 -1.531 7.469 1.00 0.00 O ATOM 1014 CB VAL A 69 -20.416 -4.549 7.700 1.00 0.00 C ATOM 1015 CG1 VAL A 69 -21.849 -4.765 7.237 1.00 0.00 C ATOM 1016 CG2 VAL A 69 -19.686 -5.876 7.838 1.00 0.00 C ATOM 0 H VAL A 69 -18.040 -3.859 8.026 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.567 -4.120 5.763 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.444 -4.072 8.680 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.362 -5.424 7.937 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -22.366 -3.806 7.195 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -21.847 -5.220 6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -20.229 -6.520 8.530 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -19.625 -6.361 6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -18.680 -5.700 8.220 1.00 0.00 H new ATOM 1026 N GLY A 70 -21.022 -2.153 5.351 1.00 0.00 N ATOM 1027 CA GLY A 70 -21.807 -0.965 5.071 1.00 0.00 C ATOM 1028 C GLY A 70 -20.946 0.225 4.698 1.00 0.00 C ATOM 1029 O GLY A 70 -21.427 1.357 4.655 1.00 0.00 O ATOM 0 H GLY A 70 -20.940 -2.806 4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -22.502 -1.176 4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -22.407 -0.715 5.946 1.00 0.00 H new ATOM 1033 N GLN A 71 -19.670 -0.031 4.430 1.00 0.00 N ATOM 1034 CA GLN A 71 -18.739 1.030 4.062 1.00 0.00 C ATOM 1035 C GLN A 71 -18.391 0.958 2.579 1.00 0.00 C ATOM 1036 O GLN A 71 -18.198 -0.126 2.028 1.00 0.00 O ATOM 1037 CB GLN A 71 -17.464 0.933 4.902 1.00 0.00 C ATOM 1038 CG GLN A 71 -16.683 2.235 4.974 1.00 0.00 C ATOM 1039 CD GLN A 71 -15.204 2.044 4.704 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -14.431 1.732 5.610 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -14.801 2.231 3.453 1.00 0.00 N ATOM 0 H GLN A 71 -19.257 -0.963 4.461 1.00 0.00 H new ATOM 0 HA GLN A 71 -19.223 1.987 4.257 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.727 0.621 5.912 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -16.822 0.157 4.485 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -17.092 2.940 4.251 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -16.814 2.679 5.961 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.476 2.489 2.733 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.817 2.117 3.212 1.00 0.00 H new ATOM 1050 N ARG A 72 -18.314 2.119 1.937 1.00 0.00 N ATOM 1051 CA ARG A 72 -17.991 2.187 0.517 1.00 0.00 C ATOM 1052 C ARG A 72 -16.759 3.055 0.281 1.00 0.00 C ATOM 1053 O ARG A 72 -16.636 4.142 0.844 1.00 0.00 O ATOM 1054 CB ARG A 72 -19.179 2.743 -0.271 1.00 0.00 C ATOM 1055 CG ARG A 72 -18.915 2.866 -1.763 1.00 0.00 C ATOM 1056 CD ARG A 72 -19.366 4.215 -2.300 1.00 0.00 C ATOM 1057 NE ARG A 72 -20.789 4.450 -2.065 1.00 0.00 N ATOM 1058 CZ ARG A 72 -21.493 5.385 -2.693 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -20.909 6.169 -3.589 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -22.783 5.538 -2.425 1.00 0.00 N ATOM 0 H ARG A 72 -18.471 3.025 2.378 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.774 1.177 0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -20.042 2.096 -0.115 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -19.440 3.724 0.125 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.851 2.733 -1.957 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -19.437 2.069 -2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.785 5.006 -1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -19.162 4.266 -3.370 1.00 0.00 H new ATOM 0 HE ARG A 72 -21.268 3.864 -1.381 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.917 6.055 -3.797 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -21.452 6.886 -4.070 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -23.235 4.937 -1.736 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -23.323 6.256 -2.908 1.00 0.00 H new ATOM 1074 N ALA A 73 -15.849 2.567 -0.556 1.00 0.00 N ATOM 1075 CA ALA A 73 -14.627 3.298 -0.868 1.00 0.00 C ATOM 1076 C ALA A 73 -14.019 2.816 -2.180 1.00 0.00 C ATOM 1077 O ALA A 73 -14.439 1.801 -2.736 1.00 0.00 O ATOM 1078 CB ALA A 73 -13.623 3.156 0.266 1.00 0.00 C ATOM 0 H ALA A 73 -15.935 1.668 -1.030 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.882 4.352 -0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.715 3.707 0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.052 3.556 1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.381 2.103 0.408 1.00 0.00 H new ATOM 1084 N LYS A 74 -13.026 3.550 -2.671 1.00 0.00 N ATOM 1085 CA LYS A 74 -12.358 3.198 -3.919 1.00 0.00 C ATOM 1086 C LYS A 74 -11.123 2.344 -3.652 1.00 0.00 C ATOM 1087 O LYS A 74 -10.329 2.644 -2.759 1.00 0.00 O ATOM 1088 CB LYS A 74 -11.962 4.462 -4.684 1.00 0.00 C ATOM 1089 CG LYS A 74 -12.942 5.610 -4.511 1.00 0.00 C ATOM 1090 CD LYS A 74 -12.539 6.817 -5.342 1.00 0.00 C ATOM 1091 CE LYS A 74 -12.583 6.508 -6.831 1.00 0.00 C ATOM 1092 NZ LYS A 74 -12.834 7.729 -7.644 1.00 0.00 N ATOM 0 H LYS A 74 -12.666 4.393 -2.224 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.055 2.619 -4.524 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.975 4.784 -4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.878 4.224 -5.744 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.941 5.284 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.992 5.892 -3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.206 7.651 -5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.533 7.132 -5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.639 6.056 -7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.365 5.774 -7.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.857 7.476 -8.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.747 8.146 -7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.074 8.419 -7.477 1.00 0.00 H new ATOM 1106 N LEU A 75 -10.965 1.280 -4.432 1.00 0.00 N ATOM 1107 CA LEU A 75 -9.824 0.383 -4.281 1.00 0.00 C ATOM 1108 C LEU A 75 -8.852 0.538 -5.446 1.00 0.00 C ATOM 1109 O LEU A 75 -9.029 -0.073 -6.500 1.00 0.00 O ATOM 1110 CB LEU A 75 -10.300 -1.067 -4.187 1.00 0.00 C ATOM 1111 CG LEU A 75 -9.273 -2.078 -3.675 1.00 0.00 C ATOM 1112 CD1 LEU A 75 -8.659 -1.601 -2.368 1.00 0.00 C ATOM 1113 CD2 LEU A 75 -9.915 -3.447 -3.497 1.00 0.00 C ATOM 0 H LEU A 75 -11.612 1.017 -5.175 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.303 0.648 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.171 -1.101 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.631 -1.385 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.478 -2.165 -4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.931 -2.333 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.163 -0.644 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.443 -1.484 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.170 -4.154 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.730 -3.376 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.305 -3.793 -4.454 1.00 0.00 H new ATOM 1125 N VAL A 76 -7.824 1.357 -5.249 1.00 0.00 N ATOM 1126 CA VAL A 76 -6.822 1.589 -6.282 1.00 0.00 C ATOM 1127 C VAL A 76 -5.581 0.735 -6.045 1.00 0.00 C ATOM 1128 O VAL A 76 -4.775 1.025 -5.161 1.00 0.00 O ATOM 1129 CB VAL A 76 -6.408 3.071 -6.339 1.00 0.00 C ATOM 1130 CG1 VAL A 76 -6.040 3.578 -4.953 1.00 0.00 C ATOM 1131 CG2 VAL A 76 -5.253 3.264 -7.311 1.00 0.00 C ATOM 0 H VAL A 76 -7.663 1.871 -4.383 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.276 1.309 -7.233 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.257 3.653 -6.698 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.750 4.627 -5.014 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.898 3.477 -4.289 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.207 2.994 -4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.973 4.317 -7.339 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.399 2.670 -6.984 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.558 2.943 -8.307 1.00 0.00 H new ATOM 1141 N CYS A 77 -5.434 -0.318 -6.842 1.00 0.00 N ATOM 1142 CA CYS A 77 -4.291 -1.215 -6.719 1.00 0.00 C ATOM 1143 C CYS A 77 -3.567 -1.359 -8.054 1.00 0.00 C ATOM 1144 O CYS A 77 -4.151 -1.138 -9.115 1.00 0.00 O ATOM 1145 CB CYS A 77 -4.744 -2.588 -6.221 1.00 0.00 C ATOM 1146 SG CYS A 77 -3.395 -3.651 -5.656 1.00 0.00 S ATOM 0 H CYS A 77 -6.092 -0.571 -7.580 1.00 0.00 H new ATOM 0 HA CYS A 77 -3.599 -0.784 -5.995 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.451 -2.451 -5.403 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -5.280 -3.095 -7.023 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.354 -2.922 -5.381 1.00 0.00 H new ATOM 1152 N SER A 78 -2.292 -1.729 -7.993 1.00 0.00 N ATOM 1153 CA SER A 78 -1.487 -1.898 -9.197 1.00 0.00 C ATOM 1154 C SER A 78 -1.820 -3.213 -9.894 1.00 0.00 C ATOM 1155 O SER A 78 -2.482 -4.090 -9.338 1.00 0.00 O ATOM 1156 CB SER A 78 0.003 -1.854 -8.850 1.00 0.00 C ATOM 1157 OG SER A 78 0.198 -1.771 -7.449 1.00 0.00 O ATOM 0 H SER A 78 -1.794 -1.917 -7.123 1.00 0.00 H new ATOM 0 HA SER A 78 -1.719 -1.078 -9.877 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.496 -2.746 -9.237 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.468 -0.996 -9.336 1.00 0.00 H new ATOM 0 HG SER A 78 0.004 -2.640 -7.040 1.00 0.00 H new ATOM 1163 N PRO A 79 -1.350 -3.356 -11.142 1.00 0.00 N ATOM 1164 CA PRO A 79 -1.584 -4.561 -11.944 1.00 0.00 C ATOM 1165 C PRO A 79 -0.819 -5.768 -11.413 1.00 0.00 C ATOM 1166 O PRO A 79 -1.266 -6.907 -11.546 1.00 0.00 O ATOM 1167 CB PRO A 79 -1.070 -4.170 -13.331 1.00 0.00 C ATOM 1168 CG PRO A 79 -0.063 -3.102 -13.075 1.00 0.00 C ATOM 1169 CD PRO A 79 -0.553 -2.352 -11.868 1.00 0.00 C ATOM 0 HA PRO A 79 -2.632 -4.861 -11.932 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -0.622 -5.022 -13.842 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -1.879 -3.807 -13.965 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.923 -3.530 -12.895 1.00 0.00 H new ATOM 0 HG3 PRO A 79 0.030 -2.439 -13.935 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.274 -1.981 -11.262 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.155 -1.488 -12.149 1.00 0.00 H new ATOM 1177 N ASP A 80 0.337 -5.511 -10.810 1.00 0.00 N ATOM 1178 CA ASP A 80 1.165 -6.577 -10.257 1.00 0.00 C ATOM 1179 C ASP A 80 0.442 -7.291 -9.119 1.00 0.00 C ATOM 1180 O ASP A 80 0.748 -8.440 -8.800 1.00 0.00 O ATOM 1181 CB ASP A 80 2.495 -6.012 -9.757 1.00 0.00 C ATOM 1182 CG ASP A 80 3.576 -7.071 -9.665 1.00 0.00 C ATOM 1183 OD1 ASP A 80 3.312 -8.225 -10.065 1.00 0.00 O ATOM 1184 OD2 ASP A 80 4.685 -6.746 -9.193 1.00 0.00 O ATOM 0 H ASP A 80 0.722 -4.574 -10.692 1.00 0.00 H new ATOM 0 HA ASP A 80 1.361 -7.299 -11.049 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.824 -5.218 -10.428 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.349 -5.560 -8.776 1.00 0.00 H new ATOM 1189 N TYR A 81 -0.517 -6.603 -8.510 1.00 0.00 N ATOM 1190 CA TYR A 81 -1.281 -7.170 -7.405 1.00 0.00 C ATOM 1191 C TYR A 81 -2.713 -7.476 -7.834 1.00 0.00 C ATOM 1192 O TYR A 81 -3.592 -7.682 -6.998 1.00 0.00 O ATOM 1193 CB TYR A 81 -1.288 -6.209 -6.216 1.00 0.00 C ATOM 1194 CG TYR A 81 -0.279 -6.562 -5.146 1.00 0.00 C ATOM 1195 CD1 TYR A 81 0.958 -7.099 -5.480 1.00 0.00 C ATOM 1196 CD2 TYR A 81 -0.563 -6.358 -3.801 1.00 0.00 C ATOM 1197 CE1 TYR A 81 1.882 -7.424 -4.506 1.00 0.00 C ATOM 1198 CE2 TYR A 81 0.355 -6.678 -2.820 1.00 0.00 C ATOM 1199 CZ TYR A 81 1.576 -7.212 -3.177 1.00 0.00 C ATOM 1200 OH TYR A 81 2.494 -7.533 -2.204 1.00 0.00 O ATOM 0 H TYR A 81 -0.784 -5.652 -8.763 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.802 -8.103 -7.107 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.087 -5.199 -6.574 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.284 -6.198 -5.774 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.201 -7.265 -6.519 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.519 -5.942 -3.518 1.00 0.00 H new ATOM 0 HE1 TYR A 81 2.839 -7.842 -4.783 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.118 -6.511 -1.780 1.00 0.00 H new ATOM 0 HH TYR A 81 2.123 -7.321 -1.322 1.00 0.00 H new ATOM 1210 N ALA A 82 -2.939 -7.505 -9.143 1.00 0.00 N ATOM 1211 CA ALA A 82 -4.262 -7.789 -9.684 1.00 0.00 C ATOM 1212 C ALA A 82 -4.166 -8.388 -11.083 1.00 0.00 C ATOM 1213 O ALA A 82 -3.094 -8.815 -11.514 1.00 0.00 O ATOM 1214 CB ALA A 82 -5.105 -6.523 -9.707 1.00 0.00 C ATOM 0 H ALA A 82 -2.222 -7.335 -9.849 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.743 -8.521 -9.036 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.091 -6.750 -10.113 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.210 -6.138 -8.693 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.619 -5.773 -10.331 1.00 0.00 H new ATOM 1220 N TYR A 83 -5.292 -8.417 -11.788 1.00 0.00 N ATOM 1221 CA TYR A 83 -5.335 -8.967 -13.137 1.00 0.00 C ATOM 1222 C TYR A 83 -5.077 -7.881 -14.177 1.00 0.00 C ATOM 1223 O TYR A 83 -5.353 -8.062 -15.362 1.00 0.00 O ATOM 1224 CB TYR A 83 -6.690 -9.627 -13.399 1.00 0.00 C ATOM 1225 CG TYR A 83 -7.868 -8.785 -12.961 1.00 0.00 C ATOM 1226 CD1 TYR A 83 -8.114 -7.546 -13.538 1.00 0.00 C ATOM 1227 CD2 TYR A 83 -8.735 -9.230 -11.971 1.00 0.00 C ATOM 1228 CE1 TYR A 83 -9.188 -6.773 -13.141 1.00 0.00 C ATOM 1229 CE2 TYR A 83 -9.812 -8.465 -11.568 1.00 0.00 C ATOM 1230 CZ TYR A 83 -10.034 -7.237 -12.156 1.00 0.00 C ATOM 1231 OH TYR A 83 -11.106 -6.471 -11.759 1.00 0.00 O ATOM 0 H TYR A 83 -6.187 -8.066 -11.447 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.550 -9.719 -13.220 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.782 -9.839 -14.464 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.725 -10.584 -12.879 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.454 -7.180 -14.311 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.564 -10.191 -11.508 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.364 -5.811 -13.599 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.477 -8.826 -10.797 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.034 -5.578 -12.155 1.00 0.00 H new ATOM 1241 N GLY A 84 -4.543 -6.751 -13.723 1.00 0.00 N ATOM 1242 CA GLY A 84 -4.255 -5.652 -14.625 1.00 0.00 C ATOM 1243 C GLY A 84 -3.119 -5.966 -15.578 1.00 0.00 C ATOM 1244 O GLY A 84 -3.019 -5.374 -16.653 1.00 0.00 O ATOM 0 H GLY A 84 -4.305 -6.578 -12.746 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.150 -5.413 -15.199 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -4.003 -4.765 -14.043 1.00 0.00 H new ATOM 1248 N SER A 85 -2.258 -6.899 -15.183 1.00 0.00 N ATOM 1249 CA SER A 85 -1.120 -7.287 -16.008 1.00 0.00 C ATOM 1250 C SER A 85 -1.557 -7.560 -17.444 1.00 0.00 C ATOM 1251 O SER A 85 -1.261 -6.784 -18.353 1.00 0.00 O ATOM 1252 CB SER A 85 -0.441 -8.528 -15.425 1.00 0.00 C ATOM 1253 OG SER A 85 -1.399 -9.477 -14.990 1.00 0.00 O ATOM 0 H SER A 85 -2.327 -7.400 -14.297 1.00 0.00 H new ATOM 0 HA SER A 85 -0.409 -6.461 -16.014 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.207 -8.979 -16.177 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.195 -8.239 -14.588 1.00 0.00 H new ATOM 0 HG SER A 85 -0.940 -10.261 -14.623 1.00 0.00 H new ATOM 1259 N ARG A 86 -2.264 -8.668 -17.640 1.00 0.00 N ATOM 1260 CA ARG A 86 -2.742 -9.045 -18.965 1.00 0.00 C ATOM 1261 C ARG A 86 -3.802 -8.066 -19.459 1.00 0.00 C ATOM 1262 O ARG A 86 -3.641 -7.435 -20.503 1.00 0.00 O ATOM 1263 CB ARG A 86 -3.314 -10.464 -18.940 1.00 0.00 C ATOM 1264 CG ARG A 86 -3.739 -10.974 -20.307 1.00 0.00 C ATOM 1265 CD ARG A 86 -5.035 -11.764 -20.229 1.00 0.00 C ATOM 1266 NE ARG A 86 -4.965 -12.834 -19.237 1.00 0.00 N ATOM 1267 CZ ARG A 86 -6.008 -13.575 -18.880 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -7.196 -13.363 -19.432 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -5.865 -14.530 -17.971 1.00 0.00 N ATOM 0 H ARG A 86 -2.519 -9.320 -16.898 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.896 -9.014 -19.651 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.567 -11.141 -18.526 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.173 -10.489 -18.269 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.865 -10.132 -20.987 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.952 -11.604 -20.722 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.855 -11.091 -19.979 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.259 -12.190 -21.207 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.066 -13.022 -18.794 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.310 -12.630 -20.132 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.996 -13.933 -19.156 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.953 -14.696 -17.545 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.667 -15.098 -17.698 1.00 0.00 H new ATOM 1283 N GLY A 87 -4.888 -7.944 -18.701 1.00 0.00 N ATOM 1284 CA GLY A 87 -5.959 -7.041 -19.078 1.00 0.00 C ATOM 1285 C GLY A 87 -6.634 -7.451 -20.372 1.00 0.00 C ATOM 1286 O GLY A 87 -6.423 -8.559 -20.867 1.00 0.00 O ATOM 0 H GLY A 87 -5.045 -8.455 -17.832 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.700 -7.008 -18.280 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.559 -6.032 -19.184 1.00 0.00 H new ATOM 1290 N HIS A 88 -7.451 -6.557 -20.921 1.00 0.00 N ATOM 1291 CA HIS A 88 -8.161 -6.832 -22.165 1.00 0.00 C ATOM 1292 C HIS A 88 -8.435 -5.542 -22.931 1.00 0.00 C ATOM 1293 O HIS A 88 -8.479 -4.451 -22.362 1.00 0.00 O ATOM 1294 CB HIS A 88 -9.475 -7.558 -21.877 1.00 0.00 C ATOM 1295 CG HIS A 88 -9.345 -9.050 -21.860 1.00 0.00 C ATOM 1296 ND1 HIS A 88 -8.699 -9.760 -22.850 1.00 0.00 N ATOM 1297 CD2 HIS A 88 -9.781 -9.966 -20.965 1.00 0.00 C ATOM 1298 CE1 HIS A 88 -8.745 -11.049 -22.565 1.00 0.00 C ATOM 1299 NE2 HIS A 88 -9.396 -11.201 -21.426 1.00 0.00 N ATOM 0 H HIS A 88 -7.638 -5.636 -20.524 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.529 -7.472 -22.781 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.861 -7.224 -20.914 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -10.210 -7.274 -22.630 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -10.330 -9.764 -20.057 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -8.322 -11.844 -23.162 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -9.583 -12.091 -20.964 1.00 0.00 H new ATOM 1307 N PRO A 89 -8.624 -5.666 -24.253 1.00 0.00 N ATOM 1308 CA PRO A 89 -8.897 -4.520 -25.125 1.00 0.00 C ATOM 1309 C PRO A 89 -10.281 -3.925 -24.885 1.00 0.00 C ATOM 1310 O PRO A 89 -11.297 -4.583 -25.105 1.00 0.00 O ATOM 1311 CB PRO A 89 -8.809 -5.116 -26.532 1.00 0.00 C ATOM 1312 CG PRO A 89 -9.123 -6.561 -26.352 1.00 0.00 C ATOM 1313 CD PRO A 89 -8.586 -6.936 -24.998 1.00 0.00 C ATOM 0 HA PRO A 89 -8.201 -3.700 -24.950 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.517 -4.638 -27.209 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.816 -4.977 -26.959 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.197 -6.737 -26.408 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.660 -7.161 -27.135 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -9.199 -7.701 -24.520 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.573 -7.334 -25.063 1.00 0.00 H new ATOM 1321 N GLY A 90 -10.312 -2.676 -24.431 1.00 0.00 N ATOM 1322 CA GLY A 90 -11.576 -2.013 -24.169 1.00 0.00 C ATOM 1323 C GLY A 90 -12.136 -2.353 -22.802 1.00 0.00 C ATOM 1324 O GLY A 90 -13.257 -1.968 -22.468 1.00 0.00 O ATOM 0 H GLY A 90 -9.484 -2.111 -24.240 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.439 -0.934 -24.244 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.298 -2.297 -24.935 1.00 0.00 H new ATOM 1328 N VAL A 91 -11.354 -3.078 -22.007 1.00 0.00 N ATOM 1329 CA VAL A 91 -11.778 -3.470 -20.669 1.00 0.00 C ATOM 1330 C VAL A 91 -10.715 -3.124 -19.632 1.00 0.00 C ATOM 1331 O VAL A 91 -10.967 -2.354 -18.704 1.00 0.00 O ATOM 1332 CB VAL A 91 -12.079 -4.979 -20.595 1.00 0.00 C ATOM 1333 CG1 VAL A 91 -12.684 -5.338 -19.246 1.00 0.00 C ATOM 1334 CG2 VAL A 91 -13.003 -5.394 -21.730 1.00 0.00 C ATOM 0 H VAL A 91 -10.424 -3.405 -22.267 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.690 -2.914 -20.450 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.141 -5.524 -20.702 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.890 -6.408 -19.213 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.983 -5.078 -18.452 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.613 -4.785 -19.105 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.205 -6.463 -21.662 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.940 -4.842 -21.657 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.527 -5.175 -22.686 1.00 0.00 H new ATOM 1344 N ILE A 92 -9.528 -3.697 -19.796 1.00 0.00 N ATOM 1345 CA ILE A 92 -8.426 -3.448 -18.875 1.00 0.00 C ATOM 1346 C ILE A 92 -7.140 -3.128 -19.630 1.00 0.00 C ATOM 1347 O ILE A 92 -6.775 -3.799 -20.595 1.00 0.00 O ATOM 1348 CB ILE A 92 -8.179 -4.656 -17.952 1.00 0.00 C ATOM 1349 CG1 ILE A 92 -9.432 -4.958 -17.126 1.00 0.00 C ATOM 1350 CG2 ILE A 92 -6.989 -4.392 -17.042 1.00 0.00 C ATOM 1351 CD1 ILE A 92 -9.310 -6.206 -16.280 1.00 0.00 C ATOM 0 H ILE A 92 -9.304 -4.337 -20.558 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.711 -2.589 -18.267 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.954 -5.526 -18.568 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.644 -4.108 -16.477 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.283 -5.066 -17.798 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.827 -5.255 -16.396 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.099 -4.220 -17.647 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.187 -3.512 -16.430 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.234 -6.359 -15.722 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.129 -7.066 -16.925 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.479 -6.094 -15.583 1.00 0.00 H new ATOM 1363 N PRO A 93 -6.435 -2.079 -19.180 1.00 0.00 N ATOM 1364 CA PRO A 93 -5.177 -1.648 -19.797 1.00 0.00 C ATOM 1365 C PRO A 93 -4.044 -2.639 -19.556 1.00 0.00 C ATOM 1366 O PRO A 93 -4.084 -3.453 -18.633 1.00 0.00 O ATOM 1367 CB PRO A 93 -4.881 -0.316 -19.103 1.00 0.00 C ATOM 1368 CG PRO A 93 -5.578 -0.409 -17.790 1.00 0.00 C ATOM 1369 CD PRO A 93 -6.811 -1.235 -18.034 1.00 0.00 C ATOM 0 HA PRO A 93 -5.259 -1.570 -20.881 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.809 -0.167 -18.972 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.250 0.526 -19.688 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.938 -0.875 -17.041 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.839 0.581 -17.416 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.072 -1.835 -17.162 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.675 -0.610 -18.261 1.00 0.00 H new ATOM 1377 N PRO A 94 -3.006 -2.570 -20.403 1.00 0.00 N ATOM 1378 CA PRO A 94 -1.841 -3.453 -20.301 1.00 0.00 C ATOM 1379 C PRO A 94 -0.987 -3.147 -19.075 1.00 0.00 C ATOM 1380 O PRO A 94 -0.212 -2.191 -19.070 1.00 0.00 O ATOM 1381 CB PRO A 94 -1.059 -3.159 -21.584 1.00 0.00 C ATOM 1382 CG PRO A 94 -1.460 -1.775 -21.963 1.00 0.00 C ATOM 1383 CD PRO A 94 -2.890 -1.624 -21.525 1.00 0.00 C ATOM 0 HA PRO A 94 -2.131 -4.498 -20.192 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.016 -3.228 -21.417 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.306 -3.872 -22.370 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.823 -1.037 -21.476 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.363 -1.621 -23.038 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.109 -0.603 -21.213 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.584 -1.868 -22.329 1.00 0.00 H new ATOM 1391 N ASN A 95 -1.134 -3.964 -18.038 1.00 0.00 N ATOM 1392 CA ASN A 95 -0.375 -3.780 -16.806 1.00 0.00 C ATOM 1393 C ASN A 95 -0.436 -2.328 -16.341 1.00 0.00 C ATOM 1394 O ASN A 95 0.588 -1.654 -16.241 1.00 0.00 O ATOM 1395 CB ASN A 95 1.082 -4.200 -17.012 1.00 0.00 C ATOM 1396 CG ASN A 95 1.217 -5.365 -17.973 1.00 0.00 C ATOM 1397 OD1 ASN A 95 1.280 -6.523 -17.557 1.00 0.00 O ATOM 1398 ND2 ASN A 95 1.263 -5.064 -19.265 1.00 0.00 N ATOM 0 H ASN A 95 -1.772 -4.760 -18.026 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.822 -4.409 -16.036 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.652 -3.352 -17.391 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.518 -4.473 -16.051 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.354 -5.806 -19.959 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.207 -4.090 -19.564 1.00 0.00 H new ATOM 1405 N ALA A 96 -1.645 -1.854 -16.059 1.00 0.00 N ATOM 1406 CA ALA A 96 -1.840 -0.483 -15.602 1.00 0.00 C ATOM 1407 C ALA A 96 -2.683 -0.443 -14.332 1.00 0.00 C ATOM 1408 O ALA A 96 -3.592 -1.254 -14.150 1.00 0.00 O ATOM 1409 CB ALA A 96 -2.491 0.350 -16.696 1.00 0.00 C ATOM 0 H ALA A 96 -2.504 -2.399 -16.139 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.862 -0.060 -15.372 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.631 1.371 -16.341 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.851 0.357 -17.578 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.459 -0.080 -16.954 1.00 0.00 H new ATOM 1415 N THR A 97 -2.376 0.507 -13.453 1.00 0.00 N ATOM 1416 CA THR A 97 -3.104 0.652 -12.199 1.00 0.00 C ATOM 1417 C THR A 97 -4.600 0.805 -12.446 1.00 0.00 C ATOM 1418 O THR A 97 -5.018 1.424 -13.425 1.00 0.00 O ATOM 1419 CB THR A 97 -2.601 1.866 -11.395 1.00 0.00 C ATOM 1420 OG1 THR A 97 -1.193 2.037 -11.595 1.00 0.00 O ATOM 1421 CG2 THR A 97 -2.890 1.690 -9.912 1.00 0.00 C ATOM 0 H THR A 97 -1.628 1.187 -13.587 1.00 0.00 H new ATOM 0 HA THR A 97 -2.925 -0.256 -11.623 1.00 0.00 H new ATOM 0 HB THR A 97 -3.128 2.752 -11.749 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.881 2.812 -11.082 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.526 2.559 -9.365 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.965 1.590 -9.760 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.387 0.795 -9.547 1.00 0.00 H new ATOM 1429 N LEU A 98 -5.403 0.238 -11.552 1.00 0.00 N ATOM 1430 CA LEU A 98 -6.855 0.312 -11.673 1.00 0.00 C ATOM 1431 C LEU A 98 -7.496 0.652 -10.331 1.00 0.00 C ATOM 1432 O LEU A 98 -6.958 0.327 -9.273 1.00 0.00 O ATOM 1433 CB LEU A 98 -7.411 -1.013 -12.196 1.00 0.00 C ATOM 1434 CG LEU A 98 -6.626 -1.670 -13.331 1.00 0.00 C ATOM 1435 CD1 LEU A 98 -7.051 -3.119 -13.506 1.00 0.00 C ATOM 1436 CD2 LEU A 98 -6.815 -0.896 -14.628 1.00 0.00 C ATOM 0 H LEU A 98 -5.073 -0.278 -10.736 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.096 1.105 -12.381 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.464 -1.715 -11.364 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.433 -0.846 -12.537 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.567 -1.653 -13.072 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.481 -3.570 -14.319 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.863 -3.667 -12.583 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.114 -3.160 -13.742 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.249 -1.378 -15.425 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.872 -0.881 -14.892 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.459 0.126 -14.497 1.00 0.00 H new ATOM 1448 N THR A 99 -8.652 1.308 -10.383 1.00 0.00 N ATOM 1449 CA THR A 99 -9.368 1.691 -9.172 1.00 0.00 C ATOM 1450 C THR A 99 -10.807 1.191 -9.203 1.00 0.00 C ATOM 1451 O THR A 99 -11.666 1.781 -9.858 1.00 0.00 O ATOM 1452 CB THR A 99 -9.371 3.219 -8.982 1.00 0.00 C ATOM 1453 OG1 THR A 99 -8.027 3.707 -8.911 1.00 0.00 O ATOM 1454 CG2 THR A 99 -10.123 3.606 -7.717 1.00 0.00 C ATOM 0 H THR A 99 -9.112 1.585 -11.250 1.00 0.00 H new ATOM 0 HA THR A 99 -8.844 1.229 -8.335 1.00 0.00 H new ATOM 0 HB THR A 99 -9.875 3.668 -9.838 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.038 4.680 -8.792 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.112 4.690 -7.604 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.154 3.259 -7.786 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.643 3.146 -6.853 1.00 0.00 H new ATOM 1462 N PHE A 100 -11.065 0.100 -8.490 1.00 0.00 N ATOM 1463 CA PHE A 100 -12.402 -0.480 -8.436 1.00 0.00 C ATOM 1464 C PHE A 100 -13.099 -0.120 -7.127 1.00 0.00 C ATOM 1465 O PHE A 100 -12.589 -0.400 -6.042 1.00 0.00 O ATOM 1466 CB PHE A 100 -12.328 -2.001 -8.585 1.00 0.00 C ATOM 1467 CG PHE A 100 -12.108 -2.455 -10.000 1.00 0.00 C ATOM 1468 CD1 PHE A 100 -10.979 -2.062 -10.700 1.00 0.00 C ATOM 1469 CD2 PHE A 100 -13.031 -3.274 -10.630 1.00 0.00 C ATOM 1470 CE1 PHE A 100 -10.774 -2.478 -12.003 1.00 0.00 C ATOM 1471 CE2 PHE A 100 -12.831 -3.693 -11.932 1.00 0.00 C ATOM 1472 CZ PHE A 100 -11.702 -3.293 -12.619 1.00 0.00 C ATOM 0 H PHE A 100 -10.366 -0.401 -7.941 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.982 -0.068 -9.262 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.519 -2.380 -7.960 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -13.253 -2.440 -8.211 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.250 -1.423 -10.223 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -13.917 -3.589 -10.098 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -9.889 -2.166 -12.538 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -13.557 -4.333 -12.411 1.00 0.00 H new ATOM 0 HZ PHE A 100 -11.545 -3.617 -13.637 1.00 0.00 H new ATOM 1482 N ASP A 101 -14.267 0.504 -7.238 1.00 0.00 N ATOM 1483 CA ASP A 101 -15.035 0.903 -6.065 1.00 0.00 C ATOM 1484 C ASP A 101 -15.585 -0.318 -5.334 1.00 0.00 C ATOM 1485 O ASP A 101 -16.427 -1.044 -5.863 1.00 0.00 O ATOM 1486 CB ASP A 101 -16.182 1.829 -6.470 1.00 0.00 C ATOM 1487 CG ASP A 101 -15.962 3.258 -6.014 1.00 0.00 C ATOM 1488 OD1 ASP A 101 -14.862 3.796 -6.259 1.00 0.00 O ATOM 1489 OD2 ASP A 101 -16.889 3.838 -5.410 1.00 0.00 O ATOM 0 H ASP A 101 -14.702 0.744 -8.129 1.00 0.00 H new ATOM 0 HA ASP A 101 -14.367 1.438 -5.390 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -16.295 1.810 -7.554 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -17.114 1.455 -6.046 1.00 0.00 H new ATOM 1494 N VAL A 102 -15.101 -0.540 -4.116 1.00 0.00 N ATOM 1495 CA VAL A 102 -15.544 -1.673 -3.312 1.00 0.00 C ATOM 1496 C VAL A 102 -16.347 -1.209 -2.102 1.00 0.00 C ATOM 1497 O VAL A 102 -15.925 -0.312 -1.373 1.00 0.00 O ATOM 1498 CB VAL A 102 -14.351 -2.519 -2.829 1.00 0.00 C ATOM 1499 CG1 VAL A 102 -14.831 -3.676 -1.966 1.00 0.00 C ATOM 1500 CG2 VAL A 102 -13.543 -3.026 -4.015 1.00 0.00 C ATOM 0 H VAL A 102 -14.402 0.050 -3.664 1.00 0.00 H new ATOM 0 HA VAL A 102 -16.179 -2.286 -3.952 1.00 0.00 H new ATOM 0 HB VAL A 102 -13.703 -1.888 -2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.974 -4.262 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -15.362 -3.286 -1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -15.501 -4.310 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.704 -3.622 -3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.179 -3.641 -4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.167 -2.178 -4.588 1.00 0.00 H new ATOM 1510 N GLU A 103 -17.506 -1.826 -1.895 1.00 0.00 N ATOM 1511 CA GLU A 103 -18.367 -1.475 -0.773 1.00 0.00 C ATOM 1512 C GLU A 103 -18.815 -2.724 -0.019 1.00 0.00 C ATOM 1513 O GLU A 103 -19.414 -3.632 -0.598 1.00 0.00 O ATOM 1514 CB GLU A 103 -19.590 -0.697 -1.263 1.00 0.00 C ATOM 1515 CG GLU A 103 -20.536 -1.525 -2.117 1.00 0.00 C ATOM 1516 CD GLU A 103 -21.605 -0.683 -2.787 1.00 0.00 C ATOM 1517 OE1 GLU A 103 -21.245 0.235 -3.552 1.00 0.00 O ATOM 1518 OE2 GLU A 103 -22.802 -0.944 -2.545 1.00 0.00 O ATOM 0 H GLU A 103 -17.870 -2.571 -2.489 1.00 0.00 H new ATOM 0 HA GLU A 103 -17.794 -0.846 -0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -20.135 -0.312 -0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -19.255 0.166 -1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -19.963 -2.053 -2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -21.012 -2.283 -1.495 1.00 0.00 H new ATOM 1525 N LEU A 104 -18.519 -2.764 1.276 1.00 0.00 N ATOM 1526 CA LEU A 104 -18.890 -3.902 2.110 1.00 0.00 C ATOM 1527 C LEU A 104 -20.404 -3.982 2.281 1.00 0.00 C ATOM 1528 O LEU A 104 -21.059 -2.983 2.583 1.00 0.00 O ATOM 1529 CB LEU A 104 -18.216 -3.796 3.479 1.00 0.00 C ATOM 1530 CG LEU A 104 -17.836 -5.120 4.145 1.00 0.00 C ATOM 1531 CD1 LEU A 104 -19.000 -6.098 4.089 1.00 0.00 C ATOM 1532 CD2 LEU A 104 -16.604 -5.716 3.481 1.00 0.00 C ATOM 0 H LEU A 104 -18.024 -2.022 1.771 1.00 0.00 H new ATOM 0 HA LEU A 104 -18.551 -4.811 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -17.314 -3.194 3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.883 -3.254 4.149 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.602 -4.925 5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -18.712 -7.034 4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -19.858 -5.673 4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -19.265 -6.288 3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.348 -6.657 3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -16.811 -5.897 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -15.769 -5.021 3.573 1.00 0.00 H new ATOM 1544 N LEU A 105 -20.953 -5.176 2.088 1.00 0.00 N ATOM 1545 CA LEU A 105 -22.390 -5.387 2.223 1.00 0.00 C ATOM 1546 C LEU A 105 -22.701 -6.257 3.436 1.00 0.00 C ATOM 1547 O LEU A 105 -23.693 -6.038 4.132 1.00 0.00 O ATOM 1548 CB LEU A 105 -22.951 -6.039 0.957 1.00 0.00 C ATOM 1549 CG LEU A 105 -23.571 -5.089 -0.068 1.00 0.00 C ATOM 1550 CD1 LEU A 105 -22.495 -4.488 -0.959 1.00 0.00 C ATOM 1551 CD2 LEU A 105 -24.615 -5.815 -0.905 1.00 0.00 C ATOM 0 H LEU A 105 -20.425 -6.012 1.838 1.00 0.00 H new ATOM 0 HA LEU A 105 -22.863 -4.415 2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.148 -6.592 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -23.707 -6.767 1.252 1.00 0.00 H new ATOM 0 HG LEU A 105 -24.064 -4.278 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -22.956 -3.815 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -21.784 -3.932 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -21.973 -5.286 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -25.046 -5.124 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -24.146 -6.646 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -25.402 -6.196 -0.254 1.00 0.00 H new ATOM 1563 N ARG A 106 -21.846 -7.244 3.686 1.00 0.00 N ATOM 1564 CA ARG A 106 -22.029 -8.146 4.816 1.00 0.00 C ATOM 1565 C ARG A 106 -20.784 -9.000 5.037 1.00 0.00 C ATOM 1566 O ARG A 106 -19.950 -9.143 4.142 1.00 0.00 O ATOM 1567 CB ARG A 106 -23.244 -9.046 4.586 1.00 0.00 C ATOM 1568 CG ARG A 106 -23.306 -9.640 3.188 1.00 0.00 C ATOM 1569 CD ARG A 106 -24.614 -10.382 2.956 1.00 0.00 C ATOM 1570 NE ARG A 106 -25.775 -9.565 3.300 1.00 0.00 N ATOM 1571 CZ ARG A 106 -26.268 -8.619 2.510 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -25.705 -8.371 1.335 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -27.328 -7.918 2.893 1.00 0.00 N ATOM 0 H ARG A 106 -21.020 -7.439 3.121 1.00 0.00 H new ATOM 0 HA ARG A 106 -22.197 -7.542 5.708 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -23.229 -9.856 5.315 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -24.152 -8.470 4.768 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -23.201 -8.846 2.449 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -22.469 -10.323 3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -24.680 -10.683 1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -24.624 -11.295 3.552 1.00 0.00 H new ATOM 0 HE ARG A 106 -26.232 -9.731 4.197 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -24.891 -8.908 1.036 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -26.086 -7.643 0.730 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -27.765 -8.106 3.795 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -27.706 -7.191 2.285 1.00 0.00 H new ATOM 1587 N VAL A 107 -20.665 -9.566 6.234 1.00 0.00 N ATOM 1588 CA VAL A 107 -19.523 -10.406 6.572 1.00 0.00 C ATOM 1589 C VAL A 107 -19.976 -11.766 7.092 1.00 0.00 C ATOM 1590 O VAL A 107 -21.005 -11.875 7.757 1.00 0.00 O ATOM 1591 CB VAL A 107 -18.628 -9.737 7.631 1.00 0.00 C ATOM 1592 CG1 VAL A 107 -19.360 -9.632 8.960 1.00 0.00 C ATOM 1593 CG2 VAL A 107 -17.325 -10.506 7.790 1.00 0.00 C ATOM 0 H VAL A 107 -21.346 -9.458 6.986 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.949 -10.543 5.656 1.00 0.00 H new ATOM 0 HB VAL A 107 -18.389 -8.728 7.295 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -18.712 -9.157 9.696 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -20.263 -9.035 8.832 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -19.631 -10.629 9.306 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.705 -10.019 8.542 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -17.541 -11.527 8.104 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -16.794 -10.523 6.838 1.00 0.00 H new ATOM 1603 N GLU A 108 -19.200 -12.800 6.783 1.00 0.00 N ATOM 1604 CA GLU A 108 -19.523 -14.154 7.219 1.00 0.00 C ATOM 1605 C GLU A 108 -18.257 -14.923 7.588 1.00 0.00 C ATOM 1606 O GLU A 108 -17.535 -15.403 6.716 1.00 0.00 O ATOM 1607 CB GLU A 108 -20.284 -14.900 6.121 1.00 0.00 C ATOM 1608 CG GLU A 108 -21.676 -14.349 5.863 1.00 0.00 C ATOM 1609 CD GLU A 108 -22.735 -15.013 6.722 1.00 0.00 C ATOM 1610 OE1 GLU A 108 -22.476 -15.221 7.926 1.00 0.00 O ATOM 1611 OE2 GLU A 108 -23.820 -15.326 6.190 1.00 0.00 O ATOM 0 H GLU A 108 -18.344 -12.726 6.233 1.00 0.00 H new ATOM 0 HA GLU A 108 -20.155 -14.082 8.104 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -19.708 -14.855 5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -20.364 -15.952 6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -21.679 -13.276 6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -21.928 -14.486 4.811 1.00 0.00 H new TER 1618 GLU A 108