USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 854 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 99 MET CE :methyl 179:sc= -0.44 (180deg=-0.434) USER MOD Set 1.2: A 102 HIS :FLIP no HE2:sc= -0.433 F(o=-1.4,f=-0.87) USER MOD Set 2.1: A 70 ASN : amide:sc= 1.05 K(o=0.18,f=-8.2!) USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= -0.871 USER MOD Set 3.1: A 37 HIS :FLIP no HE2:sc= -0.508 F(o=-4.2,f=-2.6) USER MOD Set 3.2: A 48 HIS : no HD1:sc= -2.09 K(o=-2.6,f=-3.6) USER MOD Set 4.1: A 28 GLN : amide:sc= -0.0485 K(o=0.14,f=-4!) USER MOD Set 4.2: A 30 GLN : amide:sc= 0.185 K(o=0.14,f=-3.4!) USER MOD Set 5.1: A 25 THR OG1 : rot 124:sc= 1.01 USER MOD Set 5.2: A 27 GLN : amide:sc= -0.437 K(o=0.57,f=-0.91!) USER MOD Set 6.1: A 16 ASN : amide:sc= 0.977 K(o=1.9,f=0.94) USER MOD Set 6.2: A 24 SER OG : rot -88:sc= 0.953 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.129 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -137:sc= -0.134 (180deg=-0.712) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 8 MET CE :methyl 174:sc= -0.1 (180deg=-0.16) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0758 K(o=-0.076,f=-1!) USER MOD Single : A 20 HIS : no HE2:sc= 0.0211 X(o=0.021,f=-0.14) USER MOD Single : A 22 THR OG1 : rot 19:sc= 1.01 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0664 USER MOD Single : A 31 GLN : amide:sc= -0.26 K(o=-0.26,f=-4.1!) USER MOD Single : A 32 ASN : amide:sc= 0.158 X(o=0.16,f=-0.15) USER MOD Single : A 34 SER OG : rot -85:sc= -0.911 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 92:sc= 1.15 USER MOD Single : A 55 HIS : no HD1:sc=-0.00312 X(o=-0.0031,f=-0.02) USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0445) USER MOD Single : A 62 LYS NZ :NH3+ 172:sc=-0.00257 (180deg=-0.055) USER MOD Single : A 64 SER OG : rot 107:sc= 0.159 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -2.08! C(o=-2.1!,f=-4.6!) USER MOD Single : A 76 TYR OH : rot 150:sc= -0.481! USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.211 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -130:sc= -0.281 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 173:sc= -0.129 (180deg=-0.253!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.961 -18.914 -9.445 1.00 0.00 N ATOM 2 CA GLY A 1 -23.280 -19.085 -8.847 1.00 0.00 C ATOM 3 C GLY A 1 -23.570 -17.994 -7.866 1.00 0.00 C ATOM 4 O GLY A 1 -22.640 -17.300 -7.434 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.065 -18.643 -10.444 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.443 -18.169 -8.937 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.433 -19.808 -9.382 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.040 -19.087 -9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.334 -20.052 -8.347 1.00 0.00 H new ATOM 10 N ALA A 2 -24.861 -17.836 -7.521 1.00 0.00 N ATOM 11 CA ALA A 2 -25.359 -16.797 -6.601 1.00 0.00 C ATOM 12 C ALA A 2 -25.148 -15.399 -7.191 1.00 0.00 C ATOM 13 O ALA A 2 -24.715 -15.263 -8.341 1.00 0.00 O ATOM 14 CB ALA A 2 -24.730 -16.928 -5.211 1.00 0.00 C ATOM 0 H ALA A 2 -25.601 -18.438 -7.881 1.00 0.00 H new ATOM 0 HA ALA A 2 -26.432 -16.945 -6.478 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -25.120 -16.146 -4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -24.974 -17.904 -4.792 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -23.648 -16.827 -5.290 1.00 0.00 H new ATOM 20 N HIS A 3 -25.484 -14.366 -6.459 1.00 0.00 N ATOM 21 CA HIS A 3 -25.269 -13.039 -6.970 1.00 0.00 C ATOM 22 C HIS A 3 -23.932 -12.498 -6.525 1.00 0.00 C ATOM 23 O HIS A 3 -23.739 -12.148 -5.355 1.00 0.00 O ATOM 24 CB HIS A 3 -26.405 -12.047 -6.623 1.00 0.00 C ATOM 25 CG HIS A 3 -26.148 -10.642 -7.154 1.00 0.00 C ATOM 26 ND1 HIS A 3 -26.377 -10.275 -8.459 1.00 0.00 N ATOM 27 CD2 HIS A 3 -25.607 -9.546 -6.556 1.00 0.00 C ATOM 28 CE1 HIS A 3 -25.988 -9.033 -8.644 1.00 0.00 C ATOM 29 NE2 HIS A 3 -25.519 -8.570 -7.508 1.00 0.00 N ATOM 0 H HIS A 3 -25.898 -14.416 -5.528 1.00 0.00 H new ATOM 0 HA HIS A 3 -25.272 -13.134 -8.056 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -27.344 -12.419 -7.034 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -26.525 -12.004 -5.541 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -25.304 -9.463 -5.523 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -26.045 -8.486 -9.573 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -25.148 -7.631 -7.360 1.00 0.00 H new ATOM 38 N MET A 4 -23.025 -12.421 -7.443 1.00 0.00 N ATOM 39 CA MET A 4 -21.742 -11.851 -7.174 1.00 0.00 C ATOM 40 C MET A 4 -21.808 -10.359 -7.352 1.00 0.00 C ATOM 41 O MET A 4 -22.308 -9.858 -8.371 1.00 0.00 O ATOM 42 CB MET A 4 -20.645 -12.464 -8.042 1.00 0.00 C ATOM 43 CG MET A 4 -20.319 -13.900 -7.682 1.00 0.00 C ATOM 44 SD MET A 4 -19.771 -14.070 -5.961 1.00 0.00 S ATOM 45 CE MET A 4 -18.283 -13.055 -5.964 1.00 0.00 C ATOM 0 H MET A 4 -23.150 -12.750 -8.400 1.00 0.00 H new ATOM 0 HA MET A 4 -21.478 -12.078 -6.141 1.00 0.00 H new ATOM 0 HB2 MET A 4 -20.953 -12.421 -9.087 1.00 0.00 H new ATOM 0 HB3 MET A 4 -19.742 -11.861 -7.951 1.00 0.00 H new ATOM 0 HG2 MET A 4 -21.199 -14.522 -7.844 1.00 0.00 H new ATOM 0 HG3 MET A 4 -19.540 -14.271 -8.348 1.00 0.00 H new ATOM 0 HE1 MET A 4 -17.493 -13.566 -5.415 1.00 0.00 H new ATOM 0 HE2 MET A 4 -17.960 -12.886 -6.991 1.00 0.00 H new ATOM 0 HE3 MET A 4 -18.495 -12.098 -5.488 1.00 0.00 H new ATOM 55 N GLY A 5 -21.390 -9.663 -6.346 1.00 0.00 N ATOM 56 CA GLY A 5 -21.381 -8.231 -6.359 1.00 0.00 C ATOM 57 C GLY A 5 -20.848 -7.738 -5.059 1.00 0.00 C ATOM 58 O GLY A 5 -21.495 -6.972 -4.354 1.00 0.00 O ATOM 0 H GLY A 5 -21.040 -10.074 -5.481 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -20.765 -7.866 -7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -22.389 -7.850 -6.522 1.00 0.00 H new ATOM 62 N GLY A 6 -19.662 -8.176 -4.748 1.00 0.00 N ATOM 63 CA GLY A 6 -19.078 -7.888 -3.488 1.00 0.00 C ATOM 64 C GLY A 6 -17.648 -7.519 -3.637 1.00 0.00 C ATOM 65 O GLY A 6 -16.763 -8.198 -3.119 1.00 0.00 O ATOM 0 H GLY A 6 -19.080 -8.742 -5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -19.620 -7.072 -3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -19.167 -8.756 -2.835 1.00 0.00 H new ATOM 69 N SER A 7 -17.404 -6.513 -4.415 1.00 0.00 N ATOM 70 CA SER A 7 -16.100 -5.979 -4.547 1.00 0.00 C ATOM 71 C SER A 7 -15.870 -4.987 -3.425 1.00 0.00 C ATOM 72 O SER A 7 -16.795 -4.271 -3.017 1.00 0.00 O ATOM 73 CB SER A 7 -15.940 -5.372 -5.939 1.00 0.00 C ATOM 74 OG SER A 7 -16.960 -4.422 -6.196 1.00 0.00 O ATOM 0 H SER A 7 -18.113 -6.041 -4.977 1.00 0.00 H new ATOM 0 HA SER A 7 -15.338 -6.753 -4.458 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.964 -4.895 -6.022 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.974 -6.161 -6.690 1.00 0.00 H new ATOM 0 HG SER A 7 -16.837 -4.045 -7.092 1.00 0.00 H new ATOM 80 N MET A 8 -14.686 -4.958 -2.909 1.00 0.00 N ATOM 81 CA MET A 8 -14.413 -4.179 -1.746 1.00 0.00 C ATOM 82 C MET A 8 -13.410 -3.143 -2.032 1.00 0.00 C ATOM 83 O MET A 8 -12.444 -3.407 -2.733 1.00 0.00 O ATOM 84 CB MET A 8 -13.868 -5.030 -0.641 1.00 0.00 C ATOM 85 CG MET A 8 -14.510 -6.346 -0.376 1.00 0.00 C ATOM 86 SD MET A 8 -16.137 -6.334 0.337 1.00 0.00 S ATOM 87 CE MET A 8 -16.250 -8.112 0.617 1.00 0.00 C ATOM 0 H MET A 8 -13.885 -5.470 -3.278 1.00 0.00 H new ATOM 0 HA MET A 8 -15.358 -3.726 -1.445 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.814 -5.212 -0.851 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.913 -4.448 0.279 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.559 -6.892 -1.318 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.856 -6.912 0.287 1.00 0.00 H new ATOM 0 HE1 MET A 8 -17.165 -8.336 1.166 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.265 -8.631 -0.341 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.388 -8.445 1.196 1.00 0.00 H new ATOM 97 N LYS A 9 -13.617 -1.969 -1.521 1.00 0.00 N ATOM 98 CA LYS A 9 -12.647 -0.930 -1.653 1.00 0.00 C ATOM 99 C LYS A 9 -11.821 -0.912 -0.369 1.00 0.00 C ATOM 100 O LYS A 9 -12.177 -0.285 0.624 1.00 0.00 O ATOM 101 CB LYS A 9 -13.308 0.415 -1.954 1.00 0.00 C ATOM 102 CG LYS A 9 -12.373 1.477 -2.412 1.00 0.00 C ATOM 103 CD LYS A 9 -13.126 2.741 -2.729 1.00 0.00 C ATOM 104 CE LYS A 9 -12.262 3.668 -3.525 1.00 0.00 C ATOM 105 NZ LYS A 9 -12.924 4.944 -3.820 1.00 0.00 N ATOM 0 H LYS A 9 -14.457 -1.706 -1.005 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.989 -1.119 -2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.071 0.267 -2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.820 0.762 -1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.630 1.673 -1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.832 1.138 -3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.031 2.504 -3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.441 3.227 -1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.340 3.860 -2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.982 3.184 -4.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.283 5.548 -4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.791 4.767 -4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.169 5.422 -2.929 1.00 0.00 H new ATOM 119 N ILE A 10 -10.732 -1.632 -0.422 1.00 0.00 N ATOM 120 CA ILE A 10 -9.891 -1.919 0.696 1.00 0.00 C ATOM 121 C ILE A 10 -8.646 -1.066 0.676 1.00 0.00 C ATOM 122 O ILE A 10 -8.077 -0.826 -0.392 1.00 0.00 O ATOM 123 CB ILE A 10 -9.501 -3.406 0.603 1.00 0.00 C ATOM 124 CG1 ILE A 10 -10.742 -4.256 0.776 1.00 0.00 C ATOM 125 CG2 ILE A 10 -8.406 -3.798 1.583 1.00 0.00 C ATOM 126 CD1 ILE A 10 -10.547 -5.695 0.459 1.00 0.00 C ATOM 0 H ILE A 10 -10.397 -2.051 -1.289 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.421 -1.703 1.624 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.075 -3.583 -0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.089 -4.167 1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.532 -3.859 0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.177 -4.857 1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.511 -3.209 1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.745 -3.609 2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.484 -6.231 0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.232 -5.799 -0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.782 -6.111 1.114 1.00 0.00 H new ATOM 138 N ARG A 11 -8.238 -0.597 1.841 1.00 0.00 N ATOM 139 CA ARG A 11 -6.993 0.087 1.986 1.00 0.00 C ATOM 140 C ARG A 11 -5.873 -0.859 1.826 1.00 0.00 C ATOM 141 O ARG A 11 -5.856 -1.925 2.426 1.00 0.00 O ATOM 142 CB ARG A 11 -6.849 0.708 3.368 1.00 0.00 C ATOM 143 CG ARG A 11 -7.489 2.059 3.507 1.00 0.00 C ATOM 144 CD ARG A 11 -7.132 2.659 4.841 1.00 0.00 C ATOM 145 NE ARG A 11 -7.726 3.971 5.028 1.00 0.00 N ATOM 146 CZ ARG A 11 -7.503 4.767 6.070 1.00 0.00 C ATOM 147 NH1 ARG A 11 -6.633 4.411 7.019 1.00 0.00 N ATOM 148 NH2 ARG A 11 -8.128 5.930 6.145 1.00 0.00 N ATOM 0 H ARG A 11 -8.770 -0.686 2.706 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.973 0.865 1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.287 0.034 4.104 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.789 0.795 3.606 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.155 2.714 2.702 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.572 1.970 3.416 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.465 1.994 5.638 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.048 2.737 4.924 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.362 4.308 4.305 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.135 3.524 6.947 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.467 5.026 7.815 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.775 6.210 5.408 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.963 6.547 6.940 1.00 0.00 H new ATOM 162 N VAL A 12 -4.978 -0.513 1.018 1.00 0.00 N ATOM 163 CA VAL A 12 -3.842 -1.285 0.809 1.00 0.00 C ATOM 164 C VAL A 12 -2.655 -0.500 1.272 1.00 0.00 C ATOM 165 O VAL A 12 -2.521 0.660 0.834 1.00 0.00 O ATOM 166 CB VAL A 12 -3.663 -1.501 -0.722 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.497 -2.433 -0.981 1.00 0.00 C ATOM 168 CG2 VAL A 12 -4.929 -2.077 -1.318 1.00 0.00 C ATOM 0 H VAL A 12 -5.013 0.342 0.464 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.933 -2.234 1.337 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.459 -0.539 -1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.379 -2.579 -2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.585 -1.998 -0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.686 -3.394 -0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.793 -2.224 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.151 -3.034 -0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.757 -1.388 -1.149 1.00 0.00 H new ATOM 178 N GLU A 13 -1.832 -1.028 2.174 1.00 0.00 N ATOM 179 CA GLU A 13 -0.594 -0.350 2.392 1.00 0.00 C ATOM 180 C GLU A 13 0.383 -0.843 1.370 1.00 0.00 C ATOM 181 O GLU A 13 0.360 -2.002 1.018 1.00 0.00 O ATOM 182 CB GLU A 13 0.162 -0.476 3.736 1.00 0.00 C ATOM 183 CG GLU A 13 -0.504 0.285 4.876 1.00 0.00 C ATOM 184 CD GLU A 13 0.258 0.223 6.193 1.00 0.00 C ATOM 185 OE1 GLU A 13 1.425 0.639 6.233 1.00 0.00 O ATOM 186 OE2 GLU A 13 -0.319 -0.186 7.230 1.00 0.00 O ATOM 0 H GLU A 13 -1.997 -1.870 2.726 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.916 0.690 2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.236 -1.529 4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.180 -0.108 3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.619 1.329 4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.506 -0.115 5.029 1.00 0.00 H new ATOM 193 N LEU A 14 1.232 -0.003 0.924 1.00 0.00 N ATOM 194 CA LEU A 14 2.248 -0.381 -0.007 1.00 0.00 C ATOM 195 C LEU A 14 3.603 -0.208 0.617 1.00 0.00 C ATOM 196 O LEU A 14 3.878 0.822 1.246 1.00 0.00 O ATOM 197 CB LEU A 14 2.070 0.459 -1.299 1.00 0.00 C ATOM 198 CG LEU A 14 3.170 0.514 -2.405 1.00 0.00 C ATOM 199 CD1 LEU A 14 4.240 1.541 -2.102 1.00 0.00 C ATOM 200 CD2 LEU A 14 3.785 -0.845 -2.686 1.00 0.00 C ATOM 0 H LEU A 14 1.252 0.981 1.191 1.00 0.00 H new ATOM 0 HA LEU A 14 2.161 -1.434 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.157 0.107 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.889 1.487 -0.984 1.00 0.00 H new ATOM 0 HG LEU A 14 2.658 0.831 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.982 1.540 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.786 2.529 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.724 1.294 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.543 -0.748 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.245 -1.231 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.009 -1.533 -3.021 1.00 0.00 H new ATOM 212 N ILE A 15 4.439 -1.215 0.504 1.00 0.00 N ATOM 213 CA ILE A 15 5.819 -1.029 0.873 1.00 0.00 C ATOM 214 C ILE A 15 6.645 -1.016 -0.406 1.00 0.00 C ATOM 215 O ILE A 15 6.642 -1.988 -1.180 1.00 0.00 O ATOM 216 CB ILE A 15 6.516 -2.096 1.827 1.00 0.00 C ATOM 217 CG1 ILE A 15 5.978 -1.996 3.276 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.038 -1.924 1.863 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.487 -2.192 3.442 1.00 0.00 C ATOM 0 H ILE A 15 4.195 -2.147 0.169 1.00 0.00 H new ATOM 0 HA ILE A 15 5.793 -0.106 1.453 1.00 0.00 H new ATOM 0 HB ILE A 15 6.275 -3.075 1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.493 -2.738 3.886 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.243 -1.017 3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.473 -2.672 2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.442 -2.050 0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.283 -0.927 2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.223 -2.101 4.496 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.954 -1.434 2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.208 -3.182 3.083 1.00 0.00 H new ATOM 231 N ASN A 16 7.312 0.064 -0.639 1.00 0.00 N ATOM 232 CA ASN A 16 8.257 0.162 -1.731 1.00 0.00 C ATOM 233 C ASN A 16 9.548 0.696 -1.148 1.00 0.00 C ATOM 234 O ASN A 16 10.456 1.197 -1.840 1.00 0.00 O ATOM 235 CB ASN A 16 7.700 1.046 -2.843 1.00 0.00 C ATOM 236 CG ASN A 16 8.558 1.004 -4.109 1.00 0.00 C ATOM 237 OD1 ASN A 16 9.186 -0.006 -4.422 1.00 0.00 O ATOM 238 ND2 ASN A 16 8.622 2.088 -4.819 1.00 0.00 N ATOM 0 H ASN A 16 7.226 0.914 -0.082 1.00 0.00 H new ATOM 0 HA ASN A 16 8.442 -0.808 -2.192 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.686 0.726 -3.084 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.633 2.074 -2.487 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.203 2.115 -5.657 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.092 2.913 -4.539 1.00 0.00 H new ATOM 245 N GLY A 17 9.620 0.533 0.149 1.00 0.00 N ATOM 246 CA GLY A 17 10.719 0.971 0.936 1.00 0.00 C ATOM 247 C GLY A 17 10.559 2.405 1.334 1.00 0.00 C ATOM 248 O GLY A 17 9.602 3.069 0.920 1.00 0.00 O ATOM 0 H GLY A 17 8.887 0.077 0.692 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.802 0.350 1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.645 0.847 0.374 1.00 0.00 H new ATOM 252 N ASN A 18 11.454 2.881 2.141 1.00 0.00 N ATOM 253 CA ASN A 18 11.452 4.269 2.536 1.00 0.00 C ATOM 254 C ASN A 18 12.397 5.048 1.670 1.00 0.00 C ATOM 255 O ASN A 18 12.629 6.249 1.868 1.00 0.00 O ATOM 256 CB ASN A 18 11.798 4.404 3.991 1.00 0.00 C ATOM 257 CG ASN A 18 10.656 4.010 4.904 1.00 0.00 C ATOM 258 OD1 ASN A 18 9.480 4.201 4.578 1.00 0.00 O ATOM 259 ND2 ASN A 18 10.971 3.427 6.024 1.00 0.00 N ATOM 0 H ASN A 18 12.208 2.327 2.548 1.00 0.00 H new ATOM 0 HA ASN A 18 10.451 4.678 2.399 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.666 3.783 4.213 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.083 5.435 4.198 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.238 3.114 6.660 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.951 3.283 6.266 1.00 0.00 H new ATOM 266 N GLU A 19 12.947 4.344 0.709 1.00 0.00 N ATOM 267 CA GLU A 19 13.801 4.878 -0.274 1.00 0.00 C ATOM 268 C GLU A 19 12.972 5.176 -1.516 1.00 0.00 C ATOM 269 O GLU A 19 11.774 4.890 -1.524 1.00 0.00 O ATOM 270 CB GLU A 19 14.910 3.888 -0.557 1.00 0.00 C ATOM 271 CG GLU A 19 15.759 3.601 0.666 1.00 0.00 C ATOM 272 CD GLU A 19 16.842 2.599 0.419 1.00 0.00 C ATOM 273 OE1 GLU A 19 17.900 2.977 -0.109 1.00 0.00 O ATOM 274 OE2 GLU A 19 16.677 1.415 0.786 1.00 0.00 O ATOM 0 H GLU A 19 12.792 3.341 0.604 1.00 0.00 H new ATOM 0 HA GLU A 19 14.264 5.805 0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.477 2.956 -0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.545 4.277 -1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.208 4.532 1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.116 3.239 1.468 1.00 0.00 H new ATOM 281 N HIS A 20 13.616 5.681 -2.561 1.00 0.00 N ATOM 282 CA HIS A 20 12.961 6.182 -3.772 1.00 0.00 C ATOM 283 C HIS A 20 12.323 7.511 -3.454 1.00 0.00 C ATOM 284 O HIS A 20 11.142 7.600 -3.091 1.00 0.00 O ATOM 285 CB HIS A 20 11.947 5.223 -4.386 1.00 0.00 C ATOM 286 CG HIS A 20 12.484 3.874 -4.773 1.00 0.00 C ATOM 287 ND1 HIS A 20 12.139 2.708 -4.115 1.00 0.00 N ATOM 288 CD2 HIS A 20 13.315 3.504 -5.770 1.00 0.00 C ATOM 289 CE1 HIS A 20 12.736 1.686 -4.696 1.00 0.00 C ATOM 290 NE2 HIS A 20 13.454 2.139 -5.700 1.00 0.00 N ATOM 0 H HIS A 20 14.633 5.757 -2.595 1.00 0.00 H new ATOM 0 HA HIS A 20 13.732 6.290 -4.535 1.00 0.00 H new ATOM 0 HB2 HIS A 20 11.132 5.080 -3.676 1.00 0.00 H new ATOM 0 HB3 HIS A 20 11.520 5.692 -5.272 1.00 0.00 H new ATOM 0 HD1 HIS A 20 11.520 2.648 -3.307 1.00 0.00 H new ATOM 0 HD2 HIS A 20 13.784 4.159 -6.489 1.00 0.00 H new ATOM 0 HE1 HIS A 20 12.650 0.652 -4.398 1.00 0.00 H new ATOM 299 N ARG A 21 13.125 8.540 -3.515 1.00 0.00 N ATOM 300 CA ARG A 21 12.710 9.870 -3.120 1.00 0.00 C ATOM 301 C ARG A 21 11.785 10.464 -4.138 1.00 0.00 C ATOM 302 O ARG A 21 11.937 10.213 -5.344 1.00 0.00 O ATOM 303 CB ARG A 21 13.925 10.754 -2.875 1.00 0.00 C ATOM 304 CG ARG A 21 14.818 10.185 -1.800 1.00 0.00 C ATOM 305 CD ARG A 21 16.035 11.026 -1.536 1.00 0.00 C ATOM 306 NE ARG A 21 16.868 10.433 -0.485 1.00 0.00 N ATOM 307 CZ ARG A 21 17.942 11.012 0.071 1.00 0.00 C ATOM 308 NH1 ARG A 21 18.330 12.221 -0.317 1.00 0.00 N ATOM 309 NH2 ARG A 21 18.615 10.375 1.019 1.00 0.00 N ATOM 0 H ARG A 21 14.090 8.485 -3.841 1.00 0.00 H new ATOM 0 HA ARG A 21 12.157 9.801 -2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.491 10.860 -3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.597 11.752 -2.586 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.246 10.084 -0.877 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.133 9.183 -2.091 1.00 0.00 H new ATOM 0 HD2 ARG A 21 16.617 11.127 -2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 21 15.730 12.030 -1.240 1.00 0.00 H new ATOM 0 HE ARG A 21 16.610 9.505 -0.150 1.00 0.00 H new ATOM 0 HH11 ARG A 21 17.810 12.715 -1.042 1.00 0.00 H new ATOM 0 HH12 ARG A 21 19.148 12.656 0.110 1.00 0.00 H new ATOM 0 HH21 ARG A 21 18.315 9.448 1.322 1.00 0.00 H new ATOM 0 HH22 ARG A 21 19.433 10.811 1.445 1.00 0.00 H new ATOM 323 N THR A 22 10.810 11.229 -3.652 1.00 0.00 N ATOM 324 CA THR A 22 9.748 11.825 -4.464 1.00 0.00 C ATOM 325 C THR A 22 8.994 10.747 -5.266 1.00 0.00 C ATOM 326 O THR A 22 8.484 10.987 -6.358 1.00 0.00 O ATOM 327 CB THR A 22 10.241 13.023 -5.367 1.00 0.00 C ATOM 328 OG1 THR A 22 11.378 12.668 -6.173 1.00 0.00 O ATOM 329 CG2 THR A 22 10.595 14.228 -4.507 1.00 0.00 C ATOM 0 H THR A 22 10.733 11.458 -2.661 1.00 0.00 H new ATOM 0 HA THR A 22 9.039 12.275 -3.769 1.00 0.00 H new ATOM 0 HB THR A 22 9.417 13.271 -6.035 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.440 11.692 -6.240 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.933 15.044 -5.146 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.716 14.546 -3.946 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.390 13.958 -3.812 1.00 0.00 H new ATOM 337 N SER A 23 8.907 9.558 -4.682 1.00 0.00 N ATOM 338 CA SER A 23 8.250 8.427 -5.284 1.00 0.00 C ATOM 339 C SER A 23 7.665 7.475 -4.208 1.00 0.00 C ATOM 340 O SER A 23 6.551 6.955 -4.363 1.00 0.00 O ATOM 341 CB SER A 23 9.229 7.675 -6.192 1.00 0.00 C ATOM 342 OG SER A 23 9.757 8.549 -7.187 1.00 0.00 O ATOM 0 H SER A 23 9.301 9.360 -3.762 1.00 0.00 H new ATOM 0 HA SER A 23 7.419 8.796 -5.885 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.042 7.259 -5.596 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.722 6.836 -6.668 1.00 0.00 H new ATOM 0 HG SER A 23 10.382 8.055 -7.758 1.00 0.00 H new ATOM 348 N SER A 24 8.396 7.239 -3.129 1.00 0.00 N ATOM 349 CA SER A 24 7.952 6.339 -2.100 1.00 0.00 C ATOM 350 C SER A 24 8.413 6.782 -0.718 1.00 0.00 C ATOM 351 O SER A 24 9.575 6.649 -0.345 1.00 0.00 O ATOM 352 CB SER A 24 8.402 4.913 -2.385 1.00 0.00 C ATOM 353 OG SER A 24 7.899 4.476 -3.652 1.00 0.00 O ATOM 0 H SER A 24 9.305 7.667 -2.952 1.00 0.00 H new ATOM 0 HA SER A 24 6.862 6.363 -2.105 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.491 4.861 -2.381 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.048 4.249 -1.597 1.00 0.00 H new ATOM 0 HG SER A 24 7.010 4.081 -3.532 1.00 0.00 H new ATOM 359 N THR A 25 7.513 7.383 -0.044 1.00 0.00 N ATOM 360 CA THR A 25 7.630 7.779 1.313 1.00 0.00 C ATOM 361 C THR A 25 6.258 7.575 1.949 1.00 0.00 C ATOM 362 O THR A 25 5.275 7.351 1.210 1.00 0.00 O ATOM 363 CB THR A 25 7.995 9.266 1.394 1.00 0.00 C ATOM 364 OG1 THR A 25 7.305 10.001 0.366 1.00 0.00 O ATOM 365 CG2 THR A 25 9.487 9.506 1.325 1.00 0.00 C ATOM 0 H THR A 25 6.610 7.631 -0.449 1.00 0.00 H new ATOM 0 HA THR A 25 8.403 7.200 1.819 1.00 0.00 H new ATOM 0 HB THR A 25 7.672 9.627 2.370 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.784 10.724 0.774 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.687 10.576 1.387 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.976 8.997 2.155 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.875 9.118 0.383 1.00 0.00 H new ATOM 373 N PRO A 26 6.135 7.600 3.291 1.00 0.00 N ATOM 374 CA PRO A 26 4.836 7.543 3.943 1.00 0.00 C ATOM 375 C PRO A 26 4.061 8.838 3.668 1.00 0.00 C ATOM 376 O PRO A 26 4.171 9.819 4.392 1.00 0.00 O ATOM 377 CB PRO A 26 5.163 7.402 5.442 1.00 0.00 C ATOM 378 CG PRO A 26 6.613 7.044 5.491 1.00 0.00 C ATOM 379 CD PRO A 26 7.231 7.657 4.272 1.00 0.00 C ATOM 0 HA PRO A 26 4.214 6.722 3.585 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.968 8.331 5.977 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.550 6.631 5.909 1.00 0.00 H new ATOM 0 HG2 PRO A 26 7.079 7.427 6.399 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.748 5.962 5.495 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.558 8.681 4.455 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.105 7.098 3.936 1.00 0.00 H new ATOM 387 N GLN A 27 3.332 8.845 2.567 1.00 0.00 N ATOM 388 CA GLN A 27 2.605 10.003 2.114 1.00 0.00 C ATOM 389 C GLN A 27 1.204 10.074 2.644 1.00 0.00 C ATOM 390 O GLN A 27 0.347 10.793 2.125 1.00 0.00 O ATOM 391 CB GLN A 27 2.652 10.089 0.620 1.00 0.00 C ATOM 392 CG GLN A 27 4.013 10.513 0.096 1.00 0.00 C ATOM 393 CD GLN A 27 4.432 11.887 0.615 1.00 0.00 C ATOM 394 OE1 GLN A 27 5.620 12.157 0.812 1.00 0.00 O ATOM 395 NE2 GLN A 27 3.480 12.770 0.800 1.00 0.00 N ATOM 0 H GLN A 27 3.231 8.033 1.959 1.00 0.00 H new ATOM 0 HA GLN A 27 3.104 10.879 2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 27 2.391 9.119 0.197 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.899 10.799 0.278 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.759 9.774 0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 27 3.991 10.530 -0.994 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.507 12.515 0.628 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.712 13.712 1.116 1.00 0.00 H new ATOM 404 N GLN A 28 1.018 9.383 3.698 1.00 0.00 N ATOM 405 CA GLN A 28 -0.191 9.325 4.415 1.00 0.00 C ATOM 406 C GLN A 28 0.165 9.358 5.877 1.00 0.00 C ATOM 407 O GLN A 28 0.856 8.468 6.350 1.00 0.00 O ATOM 408 CB GLN A 28 -0.974 8.038 4.093 1.00 0.00 C ATOM 409 CG GLN A 28 -1.594 7.986 2.699 1.00 0.00 C ATOM 410 CD GLN A 28 -2.682 9.026 2.509 1.00 0.00 C ATOM 411 OE1 GLN A 28 -3.362 9.417 3.465 1.00 0.00 O ATOM 412 NE2 GLN A 28 -2.877 9.465 1.288 1.00 0.00 N ATOM 0 H GLN A 28 1.752 8.806 4.109 1.00 0.00 H new ATOM 0 HA GLN A 28 -0.830 10.164 4.140 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.304 7.186 4.207 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.768 7.920 4.831 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.815 8.139 1.952 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.010 6.993 2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.297 9.120 0.523 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.609 10.151 1.104 1.00 0.00 H new ATOM 421 N PRO A 29 -0.264 10.378 6.616 1.00 0.00 N ATOM 422 CA PRO A 29 0.010 10.497 8.071 1.00 0.00 C ATOM 423 C PRO A 29 -0.890 9.535 8.874 1.00 0.00 C ATOM 424 O PRO A 29 -1.479 9.896 9.896 1.00 0.00 O ATOM 425 CB PRO A 29 -0.368 11.954 8.353 1.00 0.00 C ATOM 426 CG PRO A 29 -1.433 12.250 7.363 1.00 0.00 C ATOM 427 CD PRO A 29 -1.043 11.526 6.113 1.00 0.00 C ATOM 0 HA PRO A 29 1.034 10.247 8.348 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.726 12.082 9.374 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.487 12.619 8.229 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.405 11.913 7.723 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.513 13.322 7.185 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.916 11.203 5.546 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.449 12.157 5.451 1.00 0.00 H new ATOM 435 N GLN A 30 -0.955 8.314 8.401 1.00 0.00 N ATOM 436 CA GLN A 30 -1.766 7.279 8.945 1.00 0.00 C ATOM 437 C GLN A 30 -1.004 5.975 8.874 1.00 0.00 C ATOM 438 O GLN A 30 -0.798 5.287 9.873 1.00 0.00 O ATOM 439 CB GLN A 30 -3.045 7.115 8.139 1.00 0.00 C ATOM 440 CG GLN A 30 -3.941 8.341 8.033 1.00 0.00 C ATOM 441 CD GLN A 30 -5.139 8.081 7.145 1.00 0.00 C ATOM 442 OE1 GLN A 30 -6.190 7.638 7.610 1.00 0.00 O ATOM 443 NE2 GLN A 30 -5.000 8.348 5.868 1.00 0.00 N ATOM 0 H GLN A 30 -0.415 8.013 7.590 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.016 7.539 9.974 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.775 6.801 7.131 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.625 6.305 8.581 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.281 8.631 9.027 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.367 9.178 7.635 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.115 8.714 5.517 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.777 8.190 5.226 1.00 0.00 H new ATOM 452 N GLN A 31 -0.598 5.643 7.672 1.00 0.00 N ATOM 453 CA GLN A 31 0.061 4.419 7.348 1.00 0.00 C ATOM 454 C GLN A 31 1.164 4.697 6.329 1.00 0.00 C ATOM 455 O GLN A 31 1.638 5.826 6.213 1.00 0.00 O ATOM 456 CB GLN A 31 -0.961 3.548 6.690 1.00 0.00 C ATOM 457 CG GLN A 31 -2.143 3.155 7.551 1.00 0.00 C ATOM 458 CD GLN A 31 -3.188 2.373 6.787 1.00 0.00 C ATOM 459 OE1 GLN A 31 -4.121 2.944 6.222 1.00 0.00 O ATOM 460 NE2 GLN A 31 -3.038 1.075 6.741 1.00 0.00 N ATOM 0 H GLN A 31 -0.728 6.251 6.864 1.00 0.00 H new ATOM 0 HA GLN A 31 0.488 3.957 8.238 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.335 4.063 5.805 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.468 2.639 6.345 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.792 2.558 8.392 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.599 4.054 7.966 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.253 0.635 7.221 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.706 0.502 6.225 1.00 0.00 H new ATOM 469 N ASN A 32 1.572 3.669 5.611 1.00 0.00 N ATOM 470 CA ASN A 32 2.456 3.803 4.455 1.00 0.00 C ATOM 471 C ASN A 32 1.658 4.424 3.301 1.00 0.00 C ATOM 472 O ASN A 32 0.468 4.775 3.501 1.00 0.00 O ATOM 473 CB ASN A 32 2.959 2.411 4.025 1.00 0.00 C ATOM 474 CG ASN A 32 4.196 1.950 4.747 1.00 0.00 C ATOM 475 OD1 ASN A 32 4.425 2.266 5.924 1.00 0.00 O ATOM 476 ND2 ASN A 32 5.015 1.219 4.046 1.00 0.00 N ATOM 0 H ASN A 32 1.300 2.706 5.810 1.00 0.00 H new ATOM 0 HA ASN A 32 3.308 4.433 4.711 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.164 1.684 4.189 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.162 2.425 2.954 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.883 0.884 4.463 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.788 0.982 3.080 1.00 0.00 H new ATOM 483 N PRO A 33 2.261 4.641 2.074 1.00 0.00 N ATOM 484 CA PRO A 33 1.466 5.014 0.924 1.00 0.00 C ATOM 485 C PRO A 33 0.338 4.003 0.780 1.00 0.00 C ATOM 486 O PRO A 33 0.575 2.783 0.804 1.00 0.00 O ATOM 487 CB PRO A 33 2.417 4.910 -0.280 1.00 0.00 C ATOM 488 CG PRO A 33 3.672 4.287 0.263 1.00 0.00 C ATOM 489 CD PRO A 33 3.696 4.591 1.733 1.00 0.00 C ATOM 0 HA PRO A 33 1.036 6.012 1.007 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.984 4.299 -1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.618 5.892 -0.709 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.678 3.211 0.089 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.553 4.695 -0.232 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.220 3.820 2.298 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.196 5.536 1.943 1.00 0.00 H new ATOM 497 N SER A 34 -0.849 4.478 0.657 1.00 0.00 N ATOM 498 CA SER A 34 -1.977 3.620 0.700 1.00 0.00 C ATOM 499 C SER A 34 -3.016 4.034 -0.306 1.00 0.00 C ATOM 500 O SER A 34 -2.975 5.156 -0.831 1.00 0.00 O ATOM 501 CB SER A 34 -2.527 3.566 2.142 1.00 0.00 C ATOM 502 OG SER A 34 -2.482 4.857 2.747 1.00 0.00 O ATOM 0 H SER A 34 -1.065 5.466 0.525 1.00 0.00 H new ATOM 0 HA SER A 34 -1.677 2.610 0.420 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.553 3.199 2.132 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.943 2.861 2.733 1.00 0.00 H new ATOM 0 HG SER A 34 -1.593 5.008 3.130 1.00 0.00 H new ATOM 508 N VAL A 35 -3.907 3.132 -0.603 1.00 0.00 N ATOM 509 CA VAL A 35 -4.978 3.372 -1.523 1.00 0.00 C ATOM 510 C VAL A 35 -6.132 2.517 -1.146 1.00 0.00 C ATOM 511 O VAL A 35 -5.950 1.454 -0.576 1.00 0.00 O ATOM 512 CB VAL A 35 -4.555 3.089 -3.015 1.00 0.00 C ATOM 513 CG1 VAL A 35 -4.055 1.676 -3.212 1.00 0.00 C ATOM 514 CG2 VAL A 35 -5.682 3.338 -3.997 1.00 0.00 C ATOM 0 H VAL A 35 -3.908 2.193 -0.205 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.251 4.426 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.745 3.791 -3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.776 1.531 -4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.185 1.506 -2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.842 0.971 -2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.336 3.128 -5.009 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.523 2.687 -3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.999 4.379 -3.931 1.00 0.00 H new ATOM 524 N SER A 36 -7.292 2.983 -1.412 1.00 0.00 N ATOM 525 CA SER A 36 -8.433 2.215 -1.240 1.00 0.00 C ATOM 526 C SER A 36 -8.770 1.664 -2.626 1.00 0.00 C ATOM 527 O SER A 36 -9.190 2.398 -3.521 1.00 0.00 O ATOM 528 CB SER A 36 -9.518 3.035 -0.658 1.00 0.00 C ATOM 529 OG SER A 36 -9.090 3.698 0.538 1.00 0.00 O ATOM 0 H SER A 36 -7.464 3.926 -1.760 1.00 0.00 H new ATOM 0 HA SER A 36 -8.289 1.392 -0.539 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.848 3.775 -1.387 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.376 2.401 -0.437 1.00 0.00 H new ATOM 0 HG SER A 36 -9.828 4.233 0.898 1.00 0.00 H new ATOM 535 N HIS A 37 -8.536 0.400 -2.797 1.00 0.00 N ATOM 536 CA HIS A 37 -8.596 -0.241 -4.063 1.00 0.00 C ATOM 537 C HIS A 37 -9.739 -1.243 -4.098 1.00 0.00 C ATOM 538 O HIS A 37 -10.037 -1.874 -3.108 1.00 0.00 O ATOM 539 CB HIS A 37 -7.233 -0.925 -4.300 1.00 0.00 C ATOM 540 CG HIS A 37 -7.140 -1.727 -5.551 1.00 0.00 C ATOM 541 ND1 HIS A 37 -7.532 -2.970 -5.784 1.00 0.00 N flip ATOM 542 CD2 HIS A 37 -6.615 -1.269 -6.727 1.00 0.00 C flip ATOM 543 CE1 HIS A 37 -7.263 -3.260 -7.090 1.00 0.00 C flip ATOM 544 NE2 HIS A 37 -6.703 -2.209 -7.632 1.00 0.00 N flip ATOM 0 H HIS A 37 -8.291 -0.229 -2.032 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.789 0.481 -4.856 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.458 -0.159 -4.319 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -7.018 -1.576 -3.452 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -7.960 -3.600 -5.106 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -6.194 -0.287 -6.884 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -7.475 -4.194 -7.589 1.00 0.00 H new ATOM 553 N ILE A 38 -10.327 -1.379 -5.256 1.00 0.00 N ATOM 554 CA ILE A 38 -11.490 -2.255 -5.541 1.00 0.00 C ATOM 555 C ILE A 38 -10.901 -3.686 -5.754 1.00 0.00 C ATOM 556 O ILE A 38 -10.147 -3.941 -6.711 1.00 0.00 O ATOM 557 CB ILE A 38 -12.044 -1.794 -6.826 1.00 0.00 C ATOM 558 CG1 ILE A 38 -12.497 -0.320 -6.727 1.00 0.00 C ATOM 559 CG2 ILE A 38 -13.231 -2.706 -7.114 1.00 0.00 C ATOM 560 CD1 ILE A 38 -13.562 -0.059 -5.671 1.00 0.00 C ATOM 0 H ILE A 38 -10.013 -0.869 -6.082 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.245 -2.243 -4.755 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.302 -1.840 -7.623 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.628 0.301 -6.510 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.880 -0.004 -7.697 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.691 -2.417 -8.059 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.889 -3.739 -7.178 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.963 -2.615 -6.311 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.821 1.000 -5.670 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.450 -0.650 -5.896 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.178 -0.340 -4.690 1.00 0.00 H new ATOM 572 N PHE A 39 -11.187 -4.544 -4.870 1.00 0.00 N ATOM 573 CA PHE A 39 -10.787 -5.896 -4.965 1.00 0.00 C ATOM 574 C PHE A 39 -12.003 -6.743 -5.147 1.00 0.00 C ATOM 575 O PHE A 39 -13.056 -6.435 -4.602 1.00 0.00 O ATOM 576 CB PHE A 39 -10.060 -6.325 -3.730 1.00 0.00 C ATOM 577 CG PHE A 39 -8.706 -5.750 -3.536 1.00 0.00 C ATOM 578 CD1 PHE A 39 -7.597 -6.370 -4.070 1.00 0.00 C ATOM 579 CD2 PHE A 39 -8.539 -4.625 -2.786 1.00 0.00 C ATOM 580 CE1 PHE A 39 -6.338 -5.871 -3.851 1.00 0.00 C ATOM 581 CE2 PHE A 39 -7.291 -4.111 -2.564 1.00 0.00 C ATOM 582 CZ PHE A 39 -6.182 -4.740 -3.094 1.00 0.00 C ATOM 0 H PHE A 39 -11.723 -4.328 -4.029 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.113 -6.009 -5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.670 -6.065 -2.865 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -9.973 -7.411 -3.743 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.721 -7.260 -4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.402 -4.133 -2.362 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.476 -6.366 -4.272 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.173 -3.214 -1.975 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.195 -4.342 -2.912 1.00 0.00 H new ATOM 592 N ASP A 40 -11.856 -7.793 -5.890 1.00 0.00 N ATOM 593 CA ASP A 40 -12.919 -8.680 -6.216 1.00 0.00 C ATOM 594 C ASP A 40 -12.354 -10.048 -6.492 1.00 0.00 C ATOM 595 O ASP A 40 -11.123 -10.211 -6.578 1.00 0.00 O ATOM 596 CB ASP A 40 -13.677 -8.190 -7.459 1.00 0.00 C ATOM 597 CG ASP A 40 -12.809 -8.070 -8.675 1.00 0.00 C ATOM 598 OD1 ASP A 40 -12.491 -9.085 -9.293 1.00 0.00 O ATOM 599 OD2 ASP A 40 -12.456 -6.941 -9.045 1.00 0.00 O ATOM 0 H ASP A 40 -10.961 -8.063 -6.299 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.612 -8.717 -5.375 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.495 -8.878 -7.672 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.125 -7.220 -7.244 1.00 0.00 H new ATOM 604 N GLY A 41 -13.237 -10.988 -6.684 1.00 0.00 N ATOM 605 CA GLY A 41 -12.853 -12.361 -6.889 1.00 0.00 C ATOM 606 C GLY A 41 -12.927 -12.778 -8.331 1.00 0.00 C ATOM 607 O GLY A 41 -12.892 -13.965 -8.642 1.00 0.00 O ATOM 0 H GLY A 41 -14.244 -10.826 -6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.836 -12.507 -6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.500 -13.007 -6.295 1.00 0.00 H new ATOM 611 N GLU A 42 -13.019 -11.821 -9.216 1.00 0.00 N ATOM 612 CA GLU A 42 -13.144 -12.093 -10.587 1.00 0.00 C ATOM 613 C GLU A 42 -11.880 -11.741 -11.357 1.00 0.00 C ATOM 614 O GLU A 42 -11.525 -12.399 -12.337 1.00 0.00 O ATOM 615 CB GLU A 42 -14.360 -11.397 -11.113 1.00 0.00 C ATOM 616 CG GLU A 42 -15.664 -11.936 -10.553 1.00 0.00 C ATOM 617 CD GLU A 42 -16.874 -11.353 -11.227 1.00 0.00 C ATOM 618 OE1 GLU A 42 -17.260 -10.221 -10.904 1.00 0.00 O ATOM 619 OE2 GLU A 42 -17.466 -12.019 -12.108 1.00 0.00 O ATOM 0 H GLU A 42 -13.007 -10.828 -8.983 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.273 -13.166 -10.731 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.288 -10.334 -10.882 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.377 -11.486 -12.199 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.680 -13.020 -10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.711 -11.723 -9.485 1.00 0.00 H new ATOM 626 N THR A 43 -11.199 -10.737 -10.898 1.00 0.00 N ATOM 627 CA THR A 43 -9.969 -10.329 -11.427 1.00 0.00 C ATOM 628 C THR A 43 -8.828 -10.998 -10.638 1.00 0.00 C ATOM 629 O THR A 43 -8.890 -11.067 -9.390 1.00 0.00 O ATOM 630 CB THR A 43 -9.877 -8.812 -11.312 1.00 0.00 C ATOM 631 OG1 THR A 43 -10.853 -8.172 -12.158 1.00 0.00 O ATOM 632 CG2 THR A 43 -8.490 -8.286 -11.583 1.00 0.00 C ATOM 0 H THR A 43 -11.512 -10.167 -10.112 1.00 0.00 H new ATOM 0 HA THR A 43 -9.885 -10.621 -12.474 1.00 0.00 H new ATOM 0 HB THR A 43 -10.102 -8.563 -10.275 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.777 -7.199 -12.067 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.487 -7.200 -11.486 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.791 -8.716 -10.866 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.188 -8.561 -12.593 1.00 0.00 H new ATOM 640 N ALA A 44 -7.843 -11.534 -11.360 1.00 0.00 N ATOM 641 CA ALA A 44 -6.654 -12.131 -10.791 1.00 0.00 C ATOM 642 C ALA A 44 -5.986 -11.189 -9.837 1.00 0.00 C ATOM 643 O ALA A 44 -6.042 -9.955 -9.996 1.00 0.00 O ATOM 644 CB ALA A 44 -5.659 -12.521 -11.877 1.00 0.00 C ATOM 0 H ALA A 44 -7.859 -11.561 -12.380 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.970 -13.027 -10.256 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.776 -12.967 -11.419 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.121 -13.242 -12.552 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.367 -11.634 -12.439 1.00 0.00 H new ATOM 650 N VAL A 45 -5.356 -11.760 -8.856 1.00 0.00 N ATOM 651 CA VAL A 45 -4.636 -11.027 -7.839 1.00 0.00 C ATOM 652 C VAL A 45 -3.620 -10.123 -8.493 1.00 0.00 C ATOM 653 O VAL A 45 -3.601 -8.931 -8.254 1.00 0.00 O ATOM 654 CB VAL A 45 -3.841 -11.960 -6.930 1.00 0.00 C ATOM 655 CG1 VAL A 45 -3.032 -11.143 -5.946 1.00 0.00 C ATOM 656 CG2 VAL A 45 -4.804 -12.849 -6.196 1.00 0.00 C ATOM 0 H VAL A 45 -5.323 -12.772 -8.730 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.378 -10.474 -7.263 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.158 -12.569 -7.522 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.465 -11.811 -5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.344 -10.495 -6.490 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.703 -10.533 -5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.251 -13.523 -5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.481 -12.238 -5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.380 -13.433 -6.914 1.00 0.00 H new ATOM 666 N LYS A 46 -2.806 -10.723 -9.333 1.00 0.00 N ATOM 667 CA LYS A 46 -1.721 -10.026 -10.018 1.00 0.00 C ATOM 668 C LYS A 46 -2.221 -8.875 -10.875 1.00 0.00 C ATOM 669 O LYS A 46 -1.523 -7.916 -11.082 1.00 0.00 O ATOM 670 CB LYS A 46 -0.866 -10.982 -10.837 1.00 0.00 C ATOM 671 CG LYS A 46 -1.592 -11.688 -11.968 1.00 0.00 C ATOM 672 CD LYS A 46 -0.668 -12.641 -12.707 1.00 0.00 C ATOM 673 CE LYS A 46 -0.254 -13.811 -11.833 1.00 0.00 C ATOM 674 NZ LYS A 46 0.644 -14.731 -12.543 1.00 0.00 N ATOM 0 H LYS A 46 -2.872 -11.714 -9.567 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.092 -9.597 -9.238 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.027 -10.426 -11.256 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.448 -11.735 -10.168 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.443 -12.240 -11.568 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.989 -10.950 -12.665 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.168 -13.013 -13.601 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.220 -12.103 -13.039 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.242 -13.438 -10.937 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.142 -14.351 -11.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.905 -15.517 -11.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.162 -15.107 -13.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.503 -14.222 -12.835 1.00 0.00 H new ATOM 688 N ASP A 47 -3.425 -8.978 -11.356 1.00 0.00 N ATOM 689 CA ASP A 47 -4.017 -7.901 -12.109 1.00 0.00 C ATOM 690 C ASP A 47 -4.389 -6.781 -11.183 1.00 0.00 C ATOM 691 O ASP A 47 -4.172 -5.626 -11.497 1.00 0.00 O ATOM 692 CB ASP A 47 -5.195 -8.344 -12.950 1.00 0.00 C ATOM 693 CG ASP A 47 -4.820 -8.944 -14.270 1.00 0.00 C ATOM 694 OD1 ASP A 47 -4.336 -10.092 -14.308 1.00 0.00 O ATOM 695 OD2 ASP A 47 -4.996 -8.273 -15.313 1.00 0.00 O ATOM 0 H ASP A 47 -4.021 -9.798 -11.242 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.270 -7.545 -12.818 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.776 -9.073 -12.385 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.844 -7.486 -13.126 1.00 0.00 H new ATOM 700 N HIS A 48 -4.894 -7.132 -10.003 1.00 0.00 N ATOM 701 CA HIS A 48 -5.183 -6.151 -8.970 1.00 0.00 C ATOM 702 C HIS A 48 -3.855 -5.473 -8.584 1.00 0.00 C ATOM 703 O HIS A 48 -3.795 -4.263 -8.372 1.00 0.00 O ATOM 704 CB HIS A 48 -5.824 -6.796 -7.721 1.00 0.00 C ATOM 705 CG HIS A 48 -7.205 -7.382 -7.857 1.00 0.00 C ATOM 706 ND1 HIS A 48 -8.333 -6.645 -8.111 1.00 0.00 N ATOM 707 CD2 HIS A 48 -7.634 -8.655 -7.706 1.00 0.00 C ATOM 708 CE1 HIS A 48 -9.386 -7.427 -8.102 1.00 0.00 C ATOM 709 NE2 HIS A 48 -8.990 -8.652 -7.859 1.00 0.00 N ATOM 0 H HIS A 48 -5.111 -8.094 -9.741 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.900 -5.427 -9.357 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.158 -7.587 -7.375 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.858 -6.041 -6.935 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.016 -9.517 -7.502 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.406 -7.114 -8.267 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.596 -9.470 -7.795 1.00 0.00 H new ATOM 718 N ILE A 49 -2.816 -6.276 -8.546 1.00 0.00 N ATOM 719 CA ILE A 49 -1.481 -5.844 -8.234 1.00 0.00 C ATOM 720 C ILE A 49 -0.887 -4.970 -9.336 1.00 0.00 C ATOM 721 O ILE A 49 -0.319 -3.935 -9.021 1.00 0.00 O ATOM 722 CB ILE A 49 -0.583 -7.025 -7.844 1.00 0.00 C ATOM 723 CG1 ILE A 49 -1.142 -7.648 -6.569 1.00 0.00 C ATOM 724 CG2 ILE A 49 0.865 -6.569 -7.632 1.00 0.00 C ATOM 725 CD1 ILE A 49 -0.299 -8.739 -6.011 1.00 0.00 C ATOM 0 H ILE A 49 -2.883 -7.276 -8.737 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.540 -5.204 -7.354 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.575 -7.761 -8.648 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.256 -6.869 -5.815 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.138 -8.041 -6.775 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.480 -7.426 -7.356 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.247 -6.130 -8.554 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.900 -5.826 -6.835 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.763 -9.131 -5.106 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.205 -9.539 -6.746 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.690 -8.348 -5.772 1.00 0.00 H new ATOM 737 N LYS A 50 -1.048 -5.342 -10.625 1.00 0.00 N ATOM 738 CA LYS A 50 -0.591 -4.467 -11.715 1.00 0.00 C ATOM 739 C LYS A 50 -1.245 -3.092 -11.610 1.00 0.00 C ATOM 740 O LYS A 50 -0.614 -2.074 -11.909 1.00 0.00 O ATOM 741 CB LYS A 50 -0.833 -5.061 -13.121 1.00 0.00 C ATOM 742 CG LYS A 50 -0.001 -6.273 -13.477 1.00 0.00 C ATOM 743 CD LYS A 50 -0.155 -6.608 -14.956 1.00 0.00 C ATOM 744 CE LYS A 50 0.628 -7.853 -15.346 1.00 0.00 C ATOM 745 NZ LYS A 50 0.460 -8.183 -16.782 1.00 0.00 N ATOM 0 H LYS A 50 -1.478 -6.216 -10.926 1.00 0.00 H new ATOM 0 HA LYS A 50 0.488 -4.372 -11.595 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.886 -5.330 -13.205 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.643 -4.283 -13.861 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.047 -6.082 -13.248 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.310 -7.125 -12.871 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.210 -6.757 -15.185 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.185 -5.764 -15.556 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.685 -7.700 -15.130 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.297 -8.695 -14.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.009 -9.037 -17.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.546 -8.354 -16.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.799 -7.390 -17.363 1.00 0.00 H new ATOM 759 N VAL A 51 -2.488 -3.065 -11.147 1.00 0.00 N ATOM 760 CA VAL A 51 -3.206 -1.827 -10.937 1.00 0.00 C ATOM 761 C VAL A 51 -2.601 -1.052 -9.775 1.00 0.00 C ATOM 762 O VAL A 51 -2.235 0.118 -9.936 1.00 0.00 O ATOM 763 CB VAL A 51 -4.703 -2.033 -10.671 1.00 0.00 C ATOM 764 CG1 VAL A 51 -5.371 -0.717 -10.431 1.00 0.00 C ATOM 765 CG2 VAL A 51 -5.390 -2.790 -11.776 1.00 0.00 C ATOM 0 H VAL A 51 -3.021 -3.902 -10.909 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.110 -1.263 -11.865 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.790 -2.647 -9.775 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.433 -0.877 -10.244 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.919 -0.232 -9.566 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.249 -0.082 -11.308 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.447 -2.907 -11.535 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.290 -2.239 -12.711 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.932 -3.773 -11.883 1.00 0.00 H new ATOM 775 N LEU A 52 -2.514 -1.684 -8.625 1.00 0.00 N ATOM 776 CA LEU A 52 -1.933 -1.075 -7.437 1.00 0.00 C ATOM 777 C LEU A 52 -0.558 -0.532 -7.711 1.00 0.00 C ATOM 778 O LEU A 52 -0.295 0.625 -7.405 1.00 0.00 O ATOM 779 CB LEU A 52 -1.879 -2.102 -6.338 1.00 0.00 C ATOM 780 CG LEU A 52 -3.224 -2.524 -5.846 1.00 0.00 C ATOM 781 CD1 LEU A 52 -3.135 -3.878 -5.240 1.00 0.00 C ATOM 782 CD2 LEU A 52 -3.744 -1.525 -4.855 1.00 0.00 C ATOM 0 H LEU A 52 -2.844 -2.638 -8.482 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.559 -0.236 -7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.342 -2.979 -6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.306 -1.698 -5.503 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.920 -2.566 -6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.119 -4.182 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.785 -4.589 -5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.436 -3.857 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.726 -1.841 -4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.058 -1.459 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.827 -0.549 -5.332 1.00 0.00 H new ATOM 794 N LEU A 53 0.299 -1.346 -8.328 1.00 0.00 N ATOM 795 CA LEU A 53 1.634 -0.929 -8.663 1.00 0.00 C ATOM 796 C LEU A 53 1.591 0.313 -9.517 1.00 0.00 C ATOM 797 O LEU A 53 2.248 1.274 -9.221 1.00 0.00 O ATOM 798 CB LEU A 53 2.381 -2.050 -9.371 1.00 0.00 C ATOM 799 CG LEU A 53 2.588 -3.311 -8.568 1.00 0.00 C ATOM 800 CD1 LEU A 53 3.330 -4.306 -9.395 1.00 0.00 C ATOM 801 CD2 LEU A 53 3.332 -3.021 -7.283 1.00 0.00 C ATOM 0 H LEU A 53 0.077 -2.303 -8.602 1.00 0.00 H new ATOM 0 HA LEU A 53 2.170 -0.695 -7.743 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.837 -2.306 -10.280 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.357 -1.673 -9.679 1.00 0.00 H new ATOM 0 HG LEU A 53 1.615 -3.722 -8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.481 -5.218 -8.818 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.754 -4.535 -10.292 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.297 -3.893 -9.681 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.467 -3.947 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.307 -2.592 -7.516 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.759 -2.315 -6.682 1.00 0.00 H new ATOM 813 N THR A 54 0.773 0.289 -10.539 1.00 0.00 N ATOM 814 CA THR A 54 0.592 1.381 -11.391 1.00 0.00 C ATOM 815 C THR A 54 0.078 2.657 -10.697 1.00 0.00 C ATOM 816 O THR A 54 0.526 3.768 -11.004 1.00 0.00 O ATOM 817 CB THR A 54 -0.243 0.927 -12.596 1.00 0.00 C ATOM 818 OG1 THR A 54 0.481 -0.059 -13.352 1.00 0.00 O ATOM 819 CG2 THR A 54 -0.717 2.025 -13.473 1.00 0.00 C ATOM 0 H THR A 54 0.210 -0.525 -10.787 1.00 0.00 H new ATOM 0 HA THR A 54 1.568 1.707 -11.750 1.00 0.00 H new ATOM 0 HB THR A 54 -1.151 0.490 -12.182 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.249 -0.954 -13.028 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.297 1.608 -14.296 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.342 2.707 -12.897 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.140 2.568 -13.872 1.00 0.00 H new ATOM 827 N HIS A 55 -0.787 2.494 -9.730 1.00 0.00 N ATOM 828 CA HIS A 55 -1.277 3.605 -8.940 1.00 0.00 C ATOM 829 C HIS A 55 -0.213 4.129 -7.949 1.00 0.00 C ATOM 830 O HIS A 55 -0.160 5.332 -7.652 1.00 0.00 O ATOM 831 CB HIS A 55 -2.614 3.201 -8.282 1.00 0.00 C ATOM 832 CG HIS A 55 -3.237 4.249 -7.402 1.00 0.00 C ATOM 833 ND1 HIS A 55 -4.153 5.176 -7.846 1.00 0.00 N ATOM 834 CD2 HIS A 55 -3.072 4.494 -6.084 1.00 0.00 C ATOM 835 CE1 HIS A 55 -4.516 5.947 -6.839 1.00 0.00 C ATOM 836 NE2 HIS A 55 -3.873 5.552 -5.762 1.00 0.00 N ATOM 0 H HIS A 55 -1.175 1.589 -9.464 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.476 4.459 -9.587 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.323 2.941 -9.068 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.451 2.301 -7.689 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.426 3.953 -5.409 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.221 6.763 -6.890 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.959 5.969 -4.835 1.00 0.00 H new ATOM 845 N PHE A 56 0.628 3.236 -7.465 1.00 0.00 N ATOM 846 CA PHE A 56 1.756 3.592 -6.604 1.00 0.00 C ATOM 847 C PHE A 56 2.976 4.012 -7.418 1.00 0.00 C ATOM 848 O PHE A 56 4.007 4.401 -6.865 1.00 0.00 O ATOM 849 CB PHE A 56 2.111 2.436 -5.700 1.00 0.00 C ATOM 850 CG PHE A 56 1.098 2.183 -4.637 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.796 3.172 -3.725 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.458 0.967 -4.543 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.129 2.955 -2.731 1.00 0.00 C ATOM 854 CE2 PHE A 56 -0.468 0.735 -3.549 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.760 1.735 -2.639 1.00 0.00 C ATOM 0 H PHE A 56 0.554 2.237 -7.655 1.00 0.00 H new ATOM 0 HA PHE A 56 1.450 4.444 -5.997 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.227 1.535 -6.303 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.076 2.633 -5.233 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.292 4.129 -3.792 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.684 0.187 -5.255 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.360 3.739 -2.025 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.963 -0.222 -3.481 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.483 1.559 -1.856 1.00 0.00 H new ATOM 865 N LYS A 57 2.830 3.903 -8.723 1.00 0.00 N ATOM 866 CA LYS A 57 3.837 4.286 -9.724 1.00 0.00 C ATOM 867 C LYS A 57 5.044 3.348 -9.736 1.00 0.00 C ATOM 868 O LYS A 57 6.174 3.753 -10.013 1.00 0.00 O ATOM 869 CB LYS A 57 4.252 5.752 -9.578 1.00 0.00 C ATOM 870 CG LYS A 57 3.140 6.743 -9.895 1.00 0.00 C ATOM 871 CD LYS A 57 2.632 6.626 -11.325 1.00 0.00 C ATOM 872 CE LYS A 57 3.735 6.842 -12.358 1.00 0.00 C ATOM 873 NZ LYS A 57 4.356 8.179 -12.251 1.00 0.00 N ATOM 0 H LYS A 57 1.978 3.532 -9.144 1.00 0.00 H new ATOM 0 HA LYS A 57 3.360 4.180 -10.698 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.597 5.922 -8.558 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.098 5.947 -10.237 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.311 6.583 -9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.504 7.756 -9.726 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.191 5.640 -11.471 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.840 7.357 -11.486 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.502 6.078 -12.232 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.321 6.716 -13.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.038 8.308 -13.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.619 8.910 -12.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.849 8.261 -11.339 1.00 0.00 H new ATOM 887 N ILE A 58 4.768 2.094 -9.504 1.00 0.00 N ATOM 888 CA ILE A 58 5.711 1.048 -9.540 1.00 0.00 C ATOM 889 C ILE A 58 5.476 0.272 -10.817 1.00 0.00 C ATOM 890 O ILE A 58 4.316 -0.009 -11.149 1.00 0.00 O ATOM 891 CB ILE A 58 5.470 0.114 -8.360 1.00 0.00 C ATOM 892 CG1 ILE A 58 5.620 0.914 -7.089 1.00 0.00 C ATOM 893 CG2 ILE A 58 6.441 -1.085 -8.387 1.00 0.00 C ATOM 894 CD1 ILE A 58 5.228 0.162 -5.900 1.00 0.00 C ATOM 0 H ILE A 58 3.827 1.775 -9.275 1.00 0.00 H new ATOM 0 HA ILE A 58 6.726 1.444 -9.494 1.00 0.00 H new ATOM 0 HB ILE A 58 4.464 -0.301 -8.417 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.657 1.234 -6.986 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.013 1.817 -7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.244 -1.732 -7.533 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.298 -1.648 -9.309 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.468 -0.723 -8.338 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.356 0.786 -5.016 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.183 -0.135 -5.986 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.852 -0.727 -5.810 1.00 0.00 H new ATOM 906 N PRO A 59 6.524 -0.028 -11.597 1.00 0.00 N ATOM 907 CA PRO A 59 6.393 -0.872 -12.779 1.00 0.00 C ATOM 908 C PRO A 59 5.741 -2.186 -12.442 1.00 0.00 C ATOM 909 O PRO A 59 6.083 -2.846 -11.447 1.00 0.00 O ATOM 910 CB PRO A 59 7.835 -1.111 -13.205 1.00 0.00 C ATOM 911 CG PRO A 59 8.553 0.091 -12.731 1.00 0.00 C ATOM 912 CD PRO A 59 7.905 0.466 -11.426 1.00 0.00 C ATOM 0 HA PRO A 59 5.776 -0.411 -13.550 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.238 -2.019 -12.757 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.918 -1.225 -14.286 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.615 -0.115 -12.596 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.476 0.903 -13.454 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.401 -0.004 -10.577 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.932 1.542 -11.255 1.00 0.00 H new ATOM 920 N VAL A 60 4.819 -2.571 -13.276 1.00 0.00 N ATOM 921 CA VAL A 60 4.093 -3.799 -13.137 1.00 0.00 C ATOM 922 C VAL A 60 4.979 -5.017 -13.217 1.00 0.00 C ATOM 923 O VAL A 60 4.540 -6.104 -12.960 1.00 0.00 O ATOM 924 CB VAL A 60 3.006 -3.920 -14.208 1.00 0.00 C ATOM 925 CG1 VAL A 60 1.971 -2.848 -14.010 1.00 0.00 C ATOM 926 CG2 VAL A 60 3.588 -3.837 -15.595 1.00 0.00 C ATOM 0 H VAL A 60 4.545 -2.025 -14.093 1.00 0.00 H new ATOM 0 HA VAL A 60 3.644 -3.764 -12.144 1.00 0.00 H new ATOM 0 HB VAL A 60 2.535 -4.898 -14.105 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.201 -2.940 -14.776 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.518 -2.957 -13.025 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.443 -1.868 -14.086 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.789 -3.926 -16.331 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.092 -2.879 -15.721 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.305 -4.646 -15.738 1.00 0.00 H new ATOM 936 N ASP A 61 6.238 -4.829 -13.591 1.00 0.00 N ATOM 937 CA ASP A 61 7.170 -5.958 -13.704 1.00 0.00 C ATOM 938 C ASP A 61 7.464 -6.529 -12.334 1.00 0.00 C ATOM 939 O ASP A 61 7.955 -7.635 -12.211 1.00 0.00 O ATOM 940 CB ASP A 61 8.485 -5.596 -14.376 1.00 0.00 C ATOM 941 CG ASP A 61 8.350 -5.012 -15.739 1.00 0.00 C ATOM 942 OD1 ASP A 61 8.012 -5.738 -16.670 1.00 0.00 O ATOM 943 OD2 ASP A 61 8.627 -3.795 -15.899 1.00 0.00 O ATOM 0 H ASP A 61 6.640 -3.920 -13.820 1.00 0.00 H new ATOM 0 HA ASP A 61 6.674 -6.694 -14.336 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.017 -4.886 -13.743 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.103 -6.492 -14.439 1.00 0.00 H new ATOM 948 N LYS A 62 7.153 -5.776 -11.297 1.00 0.00 N ATOM 949 CA LYS A 62 7.388 -6.230 -9.976 1.00 0.00 C ATOM 950 C LYS A 62 6.196 -7.021 -9.431 1.00 0.00 C ATOM 951 O LYS A 62 6.270 -7.530 -8.350 1.00 0.00 O ATOM 952 CB LYS A 62 7.764 -5.084 -9.027 1.00 0.00 C ATOM 953 CG LYS A 62 9.108 -4.409 -9.288 1.00 0.00 C ATOM 954 CD LYS A 62 8.993 -3.358 -10.360 1.00 0.00 C ATOM 955 CE LYS A 62 10.321 -2.687 -10.669 1.00 0.00 C ATOM 956 NZ LYS A 62 11.317 -3.618 -11.253 1.00 0.00 N ATOM 0 H LYS A 62 6.737 -4.847 -11.363 1.00 0.00 H new ATOM 0 HA LYS A 62 8.244 -6.903 -10.027 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.983 -4.325 -9.079 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.766 -5.470 -8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.474 -3.954 -8.367 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.842 -5.158 -9.587 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.601 -3.814 -11.269 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.273 -2.602 -10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.153 -1.862 -11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.727 -2.257 -9.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.151 -3.082 -11.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.604 -4.314 -10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.896 -4.112 -12.066 1.00 0.00 H new ATOM 970 N VAL A 63 5.092 -7.082 -10.203 1.00 0.00 N ATOM 971 CA VAL A 63 3.834 -7.852 -9.889 1.00 0.00 C ATOM 972 C VAL A 63 4.162 -9.282 -9.443 1.00 0.00 C ATOM 973 O VAL A 63 3.489 -9.868 -8.609 1.00 0.00 O ATOM 974 CB VAL A 63 2.992 -7.866 -11.204 1.00 0.00 C ATOM 975 CG1 VAL A 63 3.406 -8.886 -12.257 1.00 0.00 C ATOM 976 CG2 VAL A 63 1.547 -8.012 -10.881 1.00 0.00 C ATOM 0 H VAL A 63 5.032 -6.588 -11.093 1.00 0.00 H new ATOM 0 HA VAL A 63 3.285 -7.387 -9.070 1.00 0.00 H new ATOM 0 HB VAL A 63 3.195 -6.902 -11.671 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.750 -8.801 -13.123 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.435 -8.697 -12.562 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.329 -9.890 -11.841 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.967 -8.021 -11.804 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.387 -8.946 -10.343 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.227 -7.176 -10.259 1.00 0.00 H new ATOM 986 N SER A 64 5.219 -9.786 -10.029 1.00 0.00 N ATOM 987 CA SER A 64 5.822 -11.045 -9.735 1.00 0.00 C ATOM 988 C SER A 64 6.164 -11.139 -8.248 1.00 0.00 C ATOM 989 O SER A 64 5.823 -12.096 -7.560 1.00 0.00 O ATOM 990 CB SER A 64 7.154 -11.016 -10.466 1.00 0.00 C ATOM 991 OG SER A 64 6.941 -10.657 -11.826 1.00 0.00 O ATOM 0 H SER A 64 5.707 -9.287 -10.773 1.00 0.00 H new ATOM 0 HA SER A 64 5.161 -11.865 -10.014 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.826 -10.301 -9.991 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.634 -11.993 -10.408 1.00 0.00 H new ATOM 0 HG SER A 64 7.256 -9.741 -11.976 1.00 0.00 H new ATOM 997 N SER A 65 6.801 -10.099 -7.775 1.00 0.00 N ATOM 998 CA SER A 65 7.349 -10.016 -6.473 1.00 0.00 C ATOM 999 C SER A 65 6.479 -9.198 -5.549 1.00 0.00 C ATOM 1000 O SER A 65 6.935 -8.744 -4.518 1.00 0.00 O ATOM 1001 CB SER A 65 8.711 -9.381 -6.578 1.00 0.00 C ATOM 1002 OG SER A 65 9.483 -10.069 -7.554 1.00 0.00 O ATOM 0 H SER A 65 6.951 -9.253 -8.325 1.00 0.00 H new ATOM 0 HA SER A 65 7.415 -11.020 -6.054 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.614 -8.330 -6.851 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.214 -9.414 -5.612 1.00 0.00 H new ATOM 0 HG SER A 65 10.368 -9.654 -7.623 1.00 0.00 H new ATOM 1008 N TYR A 66 5.259 -9.000 -5.912 1.00 0.00 N ATOM 1009 CA TYR A 66 4.345 -8.318 -5.060 1.00 0.00 C ATOM 1010 C TYR A 66 3.233 -9.214 -4.664 1.00 0.00 C ATOM 1011 O TYR A 66 2.789 -10.057 -5.446 1.00 0.00 O ATOM 1012 CB TYR A 66 3.841 -7.018 -5.649 1.00 0.00 C ATOM 1013 CG TYR A 66 4.734 -5.841 -5.361 1.00 0.00 C ATOM 1014 CD1 TYR A 66 4.579 -5.134 -4.195 1.00 0.00 C ATOM 1015 CD2 TYR A 66 5.713 -5.434 -6.239 1.00 0.00 C ATOM 1016 CE1 TYR A 66 5.357 -4.052 -3.901 1.00 0.00 C ATOM 1017 CE2 TYR A 66 6.512 -4.343 -5.958 1.00 0.00 C ATOM 1018 CZ TYR A 66 6.318 -3.653 -4.780 1.00 0.00 C ATOM 1019 OH TYR A 66 7.103 -2.567 -4.474 1.00 0.00 O ATOM 0 H TYR A 66 4.867 -9.304 -6.803 1.00 0.00 H new ATOM 0 HA TYR A 66 4.895 -8.038 -4.162 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.741 -7.132 -6.728 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.845 -6.813 -5.257 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.821 -5.442 -3.491 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.859 -5.976 -7.162 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.211 -3.515 -2.976 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.279 -4.034 -6.652 1.00 0.00 H new ATOM 0 HH TYR A 66 7.741 -2.410 -5.201 1.00 0.00 H new ATOM 1029 N ALA A 67 2.811 -9.072 -3.443 1.00 0.00 N ATOM 1030 CA ALA A 67 1.784 -9.889 -2.921 1.00 0.00 C ATOM 1031 C ALA A 67 1.033 -9.158 -1.859 1.00 0.00 C ATOM 1032 O ALA A 67 1.604 -8.312 -1.146 1.00 0.00 O ATOM 1033 CB ALA A 67 2.358 -11.170 -2.358 1.00 0.00 C ATOM 0 H ALA A 67 3.177 -8.381 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 67 1.100 -10.140 -3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.552 -11.786 -1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.876 -11.715 -3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.061 -10.934 -1.559 1.00 0.00 H new ATOM 1039 N LEU A 68 -0.233 -9.447 -1.795 1.00 0.00 N ATOM 1040 CA LEU A 68 -1.091 -8.947 -0.783 1.00 0.00 C ATOM 1041 C LEU A 68 -0.875 -9.778 0.459 1.00 0.00 C ATOM 1042 O LEU A 68 -0.935 -11.005 0.405 1.00 0.00 O ATOM 1043 CB LEU A 68 -2.535 -9.092 -1.260 1.00 0.00 C ATOM 1044 CG LEU A 68 -2.869 -8.375 -2.576 1.00 0.00 C ATOM 1045 CD1 LEU A 68 -4.292 -8.663 -2.970 1.00 0.00 C ATOM 1046 CD2 LEU A 68 -2.647 -6.862 -2.463 1.00 0.00 C ATOM 0 H LEU A 68 -0.702 -10.054 -2.467 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.884 -7.898 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.756 -10.153 -1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.197 -8.713 -0.481 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.197 -8.753 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.522 -8.151 -3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.422 -9.737 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.965 -8.310 -2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.893 -6.386 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.287 -6.458 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.603 -6.665 -2.218 1.00 0.00 H new ATOM 1058 N GLN A 69 -0.595 -9.145 1.534 1.00 0.00 N ATOM 1059 CA GLN A 69 -0.310 -9.826 2.759 1.00 0.00 C ATOM 1060 C GLN A 69 -1.399 -9.508 3.745 1.00 0.00 C ATOM 1061 O GLN A 69 -1.982 -8.406 3.706 1.00 0.00 O ATOM 1062 CB GLN A 69 1.021 -9.328 3.337 1.00 0.00 C ATOM 1063 CG GLN A 69 1.568 -10.182 4.474 1.00 0.00 C ATOM 1064 CD GLN A 69 2.664 -9.496 5.259 1.00 0.00 C ATOM 1065 OE1 GLN A 69 2.669 -8.282 5.412 1.00 0.00 O ATOM 1066 NE2 GLN A 69 3.611 -10.259 5.738 1.00 0.00 N ATOM 0 H GLN A 69 -0.554 -8.128 1.600 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.250 -10.898 2.572 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.760 -9.292 2.537 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.889 -8.307 3.696 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.753 -10.441 5.150 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.953 -11.117 4.066 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.576 -11.268 5.592 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.385 -9.846 6.258 1.00 0.00 H new ATOM 1075 N ASN A 70 -1.685 -10.452 4.595 1.00 0.00 N ATOM 1076 CA ASN A 70 -2.623 -10.259 5.661 1.00 0.00 C ATOM 1077 C ASN A 70 -1.911 -9.476 6.744 1.00 0.00 C ATOM 1078 O ASN A 70 -0.857 -9.912 7.223 1.00 0.00 O ATOM 1079 CB ASN A 70 -3.060 -11.587 6.253 1.00 0.00 C ATOM 1080 CG ASN A 70 -4.179 -11.424 7.276 1.00 0.00 C ATOM 1081 OD1 ASN A 70 -3.931 -11.153 8.465 1.00 0.00 O ATOM 1082 ND2 ASN A 70 -5.404 -11.601 6.848 1.00 0.00 N ATOM 0 H ASN A 70 -1.270 -11.384 4.567 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.504 -9.741 5.281 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.396 -12.246 5.453 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.205 -12.070 6.727 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.188 -11.518 7.496 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.575 -11.822 5.867 1.00 0.00 H new ATOM 1089 N PRO A 71 -2.467 -8.356 7.172 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.814 -7.468 8.132 1.00 0.00 C ATOM 1091 C PRO A 71 -1.669 -8.035 9.553 1.00 0.00 C ATOM 1092 O PRO A 71 -1.016 -7.417 10.395 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.716 -6.243 8.145 1.00 0.00 C ATOM 1094 CG PRO A 71 -4.051 -6.747 7.738 1.00 0.00 C ATOM 1095 CD PRO A 71 -3.786 -7.835 6.747 1.00 0.00 C ATOM 0 HA PRO A 71 -0.783 -7.281 7.831 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.750 -5.788 9.135 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.355 -5.479 7.456 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.605 -7.126 8.597 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.652 -5.952 7.296 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.555 -8.607 6.780 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.760 -7.454 5.726 1.00 0.00 H new ATOM 1103 N PHE A 72 -2.269 -9.165 9.847 1.00 0.00 N ATOM 1104 CA PHE A 72 -2.158 -9.696 11.172 1.00 0.00 C ATOM 1105 C PHE A 72 -1.409 -10.995 11.230 1.00 0.00 C ATOM 1106 O PHE A 72 -0.589 -11.216 12.118 1.00 0.00 O ATOM 1107 CB PHE A 72 -3.540 -9.863 11.794 1.00 0.00 C ATOM 1108 CG PHE A 72 -4.207 -8.548 12.079 1.00 0.00 C ATOM 1109 CD1 PHE A 72 -3.910 -7.854 13.236 1.00 0.00 C ATOM 1110 CD2 PHE A 72 -5.101 -7.997 11.186 1.00 0.00 C ATOM 1111 CE1 PHE A 72 -4.498 -6.633 13.499 1.00 0.00 C ATOM 1112 CE2 PHE A 72 -5.688 -6.781 11.437 1.00 0.00 C ATOM 1113 CZ PHE A 72 -5.387 -6.096 12.596 1.00 0.00 C ATOM 0 H PHE A 72 -2.826 -9.720 9.197 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.578 -8.973 11.745 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.169 -10.447 11.122 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.451 -10.430 12.721 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.209 -8.272 13.944 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.343 -8.528 10.277 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.262 -6.102 14.409 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.385 -6.361 10.727 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.848 -5.140 12.794 1.00 0.00 H new ATOM 1123 N THR A 73 -1.662 -11.834 10.283 1.00 0.00 N ATOM 1124 CA THR A 73 -1.086 -13.160 10.272 1.00 0.00 C ATOM 1125 C THR A 73 0.244 -13.174 9.525 1.00 0.00 C ATOM 1126 O THR A 73 1.080 -14.079 9.725 1.00 0.00 O ATOM 1127 CB THR A 73 -2.044 -14.127 9.602 1.00 0.00 C ATOM 1128 OG1 THR A 73 -2.210 -13.736 8.236 1.00 0.00 O ATOM 1129 CG2 THR A 73 -3.396 -14.100 10.292 1.00 0.00 C ATOM 0 H THR A 73 -2.271 -11.632 9.490 1.00 0.00 H new ATOM 0 HA THR A 73 -0.909 -13.462 11.304 1.00 0.00 H new ATOM 0 HB THR A 73 -1.636 -15.136 9.666 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.826 -14.355 7.791 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.071 -14.800 9.798 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.277 -14.387 11.337 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.813 -13.094 10.237 1.00 0.00 H new ATOM 1137 N LEU A 74 0.431 -12.163 8.679 1.00 0.00 N ATOM 1138 CA LEU A 74 1.607 -11.993 7.831 1.00 0.00 C ATOM 1139 C LEU A 74 1.653 -13.016 6.713 1.00 0.00 C ATOM 1140 O LEU A 74 2.700 -13.220 6.076 1.00 0.00 O ATOM 1141 CB LEU A 74 2.916 -11.971 8.626 1.00 0.00 C ATOM 1142 CG LEU A 74 3.030 -10.918 9.701 1.00 0.00 C ATOM 1143 CD1 LEU A 74 4.475 -10.655 10.005 1.00 0.00 C ATOM 1144 CD2 LEU A 74 2.276 -9.638 9.356 1.00 0.00 C ATOM 0 H LEU A 74 -0.254 -11.416 8.562 1.00 0.00 H new ATOM 0 HA LEU A 74 1.507 -11.009 7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.051 -12.948 9.089 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.739 -11.834 7.925 1.00 0.00 H new ATOM 0 HG LEU A 74 2.549 -11.305 10.600 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.551 -9.894 10.782 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.947 -11.575 10.351 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.979 -10.305 9.104 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.394 -8.917 10.165 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.677 -9.217 8.434 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.218 -9.864 9.222 1.00 0.00 H new ATOM 1156 N ALA A 75 0.514 -13.610 6.432 1.00 0.00 N ATOM 1157 CA ALA A 75 0.413 -14.567 5.371 1.00 0.00 C ATOM 1158 C ALA A 75 0.174 -13.856 4.072 1.00 0.00 C ATOM 1159 O ALA A 75 -0.572 -12.883 4.025 1.00 0.00 O ATOM 1160 CB ALA A 75 -0.718 -15.532 5.633 1.00 0.00 C ATOM 0 H ALA A 75 -0.358 -13.440 6.933 1.00 0.00 H new ATOM 0 HA ALA A 75 1.346 -15.127 5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.779 -16.251 4.816 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.536 -16.060 6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.657 -14.982 5.703 1.00 0.00 H new ATOM 1166 N TYR A 76 0.786 -14.326 3.037 1.00 0.00 N ATOM 1167 CA TYR A 76 0.656 -13.730 1.739 1.00 0.00 C ATOM 1168 C TYR A 76 -0.351 -14.472 0.930 1.00 0.00 C ATOM 1169 O TYR A 76 -0.482 -15.689 1.049 1.00 0.00 O ATOM 1170 CB TYR A 76 1.967 -13.725 1.009 1.00 0.00 C ATOM 1171 CG TYR A 76 2.957 -12.764 1.543 1.00 0.00 C ATOM 1172 CD1 TYR A 76 3.821 -13.105 2.561 1.00 0.00 C ATOM 1173 CD2 TYR A 76 3.055 -11.521 0.988 1.00 0.00 C ATOM 1174 CE1 TYR A 76 4.757 -12.202 3.012 1.00 0.00 C ATOM 1175 CE2 TYR A 76 3.977 -10.617 1.406 1.00 0.00 C ATOM 1176 CZ TYR A 76 4.832 -10.956 2.423 1.00 0.00 C ATOM 1177 OH TYR A 76 5.762 -10.052 2.850 1.00 0.00 O ATOM 0 H TYR A 76 1.397 -15.142 3.063 1.00 0.00 H new ATOM 0 HA TYR A 76 0.330 -12.700 1.880 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.394 -14.727 1.046 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.784 -13.495 -0.041 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.763 -14.087 3.008 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.378 -11.248 0.192 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.426 -12.466 3.818 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.037 -9.643 0.943 1.00 0.00 H new ATOM 0 HH TYR A 76 6.022 -9.473 2.104 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.070 -13.754 0.138 1.00 0.00 N ATOM 1188 CA VAL A 77 -2.012 -14.315 -0.765 1.00 0.00 C ATOM 1189 C VAL A 77 -1.254 -14.891 -1.961 1.00 0.00 C ATOM 1190 O VAL A 77 -0.745 -14.148 -2.807 1.00 0.00 O ATOM 1191 CB VAL A 77 -3.029 -13.232 -1.234 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -4.027 -13.799 -2.226 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.763 -12.630 -0.034 1.00 0.00 C ATOM 0 H VAL A 77 -1.017 -12.736 0.100 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.574 -15.106 -0.268 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.465 -12.446 -1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.721 -13.016 -2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.497 -14.176 -3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.581 -14.613 -1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.469 -11.875 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.302 -13.416 0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.041 -12.169 0.640 1.00 0.00 H new ATOM 1203 N GLU A 78 -1.174 -16.205 -2.020 1.00 0.00 N ATOM 1204 CA GLU A 78 -0.460 -16.891 -3.078 1.00 0.00 C ATOM 1205 C GLU A 78 -1.424 -17.397 -4.118 1.00 0.00 C ATOM 1206 O GLU A 78 -1.068 -18.147 -5.032 1.00 0.00 O ATOM 1207 CB GLU A 78 0.389 -18.004 -2.554 1.00 0.00 C ATOM 1208 CG GLU A 78 1.524 -17.562 -1.658 1.00 0.00 C ATOM 1209 CD GLU A 78 2.523 -16.687 -2.365 1.00 0.00 C ATOM 1210 OE1 GLU A 78 2.930 -17.003 -3.503 1.00 0.00 O ATOM 1211 OE2 GLU A 78 2.960 -15.687 -1.793 1.00 0.00 O ATOM 0 H GLU A 78 -1.603 -16.828 -1.335 1.00 0.00 H new ATOM 0 HA GLU A 78 0.212 -16.169 -3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.245 -18.697 -2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.803 -18.556 -3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.116 -17.022 -0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.033 -18.442 -1.265 1.00 0.00 H new ATOM 1218 N ASP A 79 -2.630 -16.922 -4.008 1.00 0.00 N ATOM 1219 CA ASP A 79 -3.672 -17.248 -4.891 1.00 0.00 C ATOM 1220 C ASP A 79 -3.500 -16.488 -6.160 1.00 0.00 C ATOM 1221 O ASP A 79 -2.889 -15.409 -6.196 1.00 0.00 O ATOM 1222 CB ASP A 79 -5.030 -16.829 -4.313 1.00 0.00 C ATOM 1223 CG ASP A 79 -5.389 -17.505 -3.000 1.00 0.00 C ATOM 1224 OD1 ASP A 79 -5.043 -16.972 -1.925 1.00 0.00 O ATOM 1225 OD2 ASP A 79 -6.029 -18.586 -3.018 1.00 0.00 O ATOM 0 H ASP A 79 -2.908 -16.276 -3.270 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.643 -18.325 -5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.030 -15.749 -4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.807 -17.050 -5.045 1.00 0.00 H new ATOM 1230 N SER A 80 -3.986 -17.057 -7.171 1.00 0.00 N ATOM 1231 CA SER A 80 -4.051 -16.477 -8.445 1.00 0.00 C ATOM 1232 C SER A 80 -5.206 -15.505 -8.544 1.00 0.00 C ATOM 1233 O SER A 80 -5.091 -14.443 -9.163 1.00 0.00 O ATOM 1234 CB SER A 80 -4.184 -17.564 -9.457 1.00 0.00 C ATOM 1235 OG SER A 80 -2.996 -18.356 -9.513 1.00 0.00 O ATOM 0 H SER A 80 -4.376 -17.999 -7.138 1.00 0.00 H new ATOM 0 HA SER A 80 -3.139 -15.911 -8.632 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.036 -18.196 -9.208 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.384 -17.131 -10.437 1.00 0.00 H new ATOM 0 HG SER A 80 -3.106 -19.064 -10.182 1.00 0.00 H new ATOM 1241 N PHE A 81 -6.288 -15.848 -7.908 1.00 0.00 N ATOM 1242 CA PHE A 81 -7.472 -15.071 -7.878 1.00 0.00 C ATOM 1243 C PHE A 81 -7.940 -14.948 -6.440 1.00 0.00 C ATOM 1244 O PHE A 81 -7.817 -15.896 -5.664 1.00 0.00 O ATOM 1245 CB PHE A 81 -8.531 -15.757 -8.698 1.00 0.00 C ATOM 1246 CG PHE A 81 -8.279 -15.751 -10.180 1.00 0.00 C ATOM 1247 CD1 PHE A 81 -7.408 -16.659 -10.748 1.00 0.00 C ATOM 1248 CD2 PHE A 81 -8.909 -14.837 -10.999 1.00 0.00 C ATOM 1249 CE1 PHE A 81 -7.160 -16.656 -12.103 1.00 0.00 C ATOM 1250 CE2 PHE A 81 -8.670 -14.826 -12.359 1.00 0.00 C ATOM 1251 CZ PHE A 81 -7.794 -15.736 -12.911 1.00 0.00 C ATOM 0 H PHE A 81 -6.363 -16.715 -7.377 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.283 -14.079 -8.288 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.619 -16.790 -8.362 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.490 -15.276 -8.504 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.913 -17.384 -10.119 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.597 -14.122 -10.572 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.472 -17.371 -12.530 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.169 -14.105 -12.990 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.605 -15.728 -13.974 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.477 -13.807 -6.095 1.00 0.00 N ATOM 1262 CA LEU A 82 -8.950 -13.541 -4.742 1.00 0.00 C ATOM 1263 C LEU A 82 -10.274 -14.198 -4.490 1.00 0.00 C ATOM 1264 O LEU A 82 -11.025 -14.497 -5.413 1.00 0.00 O ATOM 1265 CB LEU A 82 -9.112 -12.047 -4.522 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.817 -11.304 -4.221 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -8.057 -9.819 -4.105 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -7.193 -11.846 -2.933 1.00 0.00 C ATOM 0 H LEU A 82 -8.604 -13.027 -6.740 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.207 -13.946 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.568 -11.610 -5.411 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.806 -11.888 -3.697 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.126 -11.467 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.115 -9.314 -3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.465 -9.442 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.764 -9.627 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.267 -11.310 -2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.888 -11.706 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.979 -12.908 -3.051 1.00 0.00 H new ATOM 1280 N THR A 83 -10.551 -14.408 -3.246 1.00 0.00 N ATOM 1281 CA THR A 83 -11.781 -14.947 -2.818 1.00 0.00 C ATOM 1282 C THR A 83 -12.530 -13.854 -2.073 1.00 0.00 C ATOM 1283 O THR A 83 -11.888 -12.924 -1.549 1.00 0.00 O ATOM 1284 CB THR A 83 -11.546 -16.130 -1.855 1.00 0.00 C ATOM 1285 OG1 THR A 83 -10.694 -15.702 -0.779 1.00 0.00 O ATOM 1286 CG2 THR A 83 -10.903 -17.304 -2.567 1.00 0.00 C ATOM 0 H THR A 83 -9.904 -14.201 -2.485 1.00 0.00 H new ATOM 0 HA THR A 83 -12.347 -15.303 -3.679 1.00 0.00 H new ATOM 0 HB THR A 83 -12.513 -16.454 -1.469 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.543 -16.450 -0.164 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.752 -18.120 -1.860 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.553 -17.640 -3.375 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.941 -16.998 -2.979 1.00 0.00 H new ATOM 1294 N PRO A 84 -13.879 -13.905 -2.034 1.00 0.00 N ATOM 1295 CA PRO A 84 -14.677 -12.989 -1.207 1.00 0.00 C ATOM 1296 C PRO A 84 -14.195 -13.024 0.239 1.00 0.00 C ATOM 1297 O PRO A 84 -14.172 -12.011 0.900 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.092 -13.555 -1.320 1.00 0.00 C ATOM 1299 CG PRO A 84 -16.113 -14.225 -2.645 1.00 0.00 C ATOM 1300 CD PRO A 84 -14.736 -14.801 -2.836 1.00 0.00 C ATOM 0 HA PRO A 84 -14.609 -11.949 -1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.305 -14.258 -0.515 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.842 -12.766 -1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.872 -15.007 -2.675 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.354 -13.516 -3.438 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.679 -15.832 -2.486 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.443 -14.804 -3.886 1.00 0.00 H new ATOM 1308 N GLU A 85 -13.767 -14.203 0.690 1.00 0.00 N ATOM 1309 CA GLU A 85 -13.221 -14.398 2.023 1.00 0.00 C ATOM 1310 C GLU A 85 -12.032 -13.477 2.262 1.00 0.00 C ATOM 1311 O GLU A 85 -11.957 -12.806 3.281 1.00 0.00 O ATOM 1312 CB GLU A 85 -12.733 -15.817 2.202 1.00 0.00 C ATOM 1313 CG GLU A 85 -13.721 -16.917 1.963 1.00 0.00 C ATOM 1314 CD GLU A 85 -13.068 -18.249 2.209 1.00 0.00 C ATOM 1315 OE1 GLU A 85 -12.118 -18.600 1.468 1.00 0.00 O ATOM 1316 OE2 GLU A 85 -13.447 -18.958 3.170 1.00 0.00 O ATOM 0 H GLU A 85 -13.792 -15.055 0.130 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.022 -14.178 2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.888 -15.971 1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.355 -15.918 3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.581 -16.796 2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.094 -16.868 0.940 1.00 0.00 H new ATOM 1323 N ARG A 86 -11.105 -13.457 1.303 1.00 0.00 N ATOM 1324 CA ARG A 86 -9.906 -12.627 1.398 1.00 0.00 C ATOM 1325 C ARG A 86 -10.278 -11.185 1.480 1.00 0.00 C ATOM 1326 O ARG A 86 -9.698 -10.437 2.238 1.00 0.00 O ATOM 1327 CB ARG A 86 -8.942 -12.897 0.275 1.00 0.00 C ATOM 1328 CG ARG A 86 -8.060 -14.132 0.404 1.00 0.00 C ATOM 1329 CD ARG A 86 -7.013 -13.964 1.489 1.00 0.00 C ATOM 1330 NE ARG A 86 -7.535 -14.117 2.831 1.00 0.00 N ATOM 1331 CZ ARG A 86 -6.828 -14.037 3.942 1.00 0.00 C ATOM 1332 NH1 ARG A 86 -5.507 -14.247 3.914 1.00 0.00 N ATOM 1333 NH2 ARG A 86 -7.454 -13.838 5.100 1.00 0.00 N ATOM 0 H ARG A 86 -11.164 -14.010 0.448 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.385 -12.894 2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.514 -12.984 -0.649 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.294 -12.027 0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.680 -15.000 0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.568 -14.329 -0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.219 -14.695 1.332 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.561 -12.977 1.395 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.534 -14.302 2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.045 -14.469 3.032 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.962 -14.185 4.774 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.470 -13.749 5.122 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.918 -13.774 5.965 1.00 0.00 H new ATOM 1347 N LEU A 87 -11.271 -10.833 0.734 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.766 -9.494 0.695 1.00 0.00 C ATOM 1349 C LEU A 87 -12.408 -9.124 2.008 1.00 0.00 C ATOM 1350 O LEU A 87 -12.150 -8.076 2.552 1.00 0.00 O ATOM 1351 CB LEU A 87 -12.763 -9.367 -0.428 1.00 0.00 C ATOM 1352 CG LEU A 87 -12.292 -9.821 -1.785 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -13.367 -9.572 -2.819 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -11.012 -9.118 -2.143 1.00 0.00 C ATOM 0 H LEU A 87 -11.772 -11.478 0.123 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.934 -8.811 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.652 -9.939 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.066 -8.323 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.094 -10.893 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.016 -9.904 -3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.266 -10.126 -2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.595 -8.507 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.677 -9.451 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.181 -8.041 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.249 -9.352 -1.401 1.00 0.00 H new ATOM 1366 N VAL A 88 -13.247 -9.984 2.485 1.00 0.00 N ATOM 1367 CA VAL A 88 -13.910 -9.826 3.714 1.00 0.00 C ATOM 1368 C VAL A 88 -12.998 -9.771 4.910 1.00 0.00 C ATOM 1369 O VAL A 88 -13.121 -8.865 5.751 1.00 0.00 O ATOM 1370 CB VAL A 88 -15.048 -10.841 3.814 1.00 0.00 C ATOM 1371 CG1 VAL A 88 -15.571 -10.854 5.190 1.00 0.00 C ATOM 1372 CG2 VAL A 88 -16.154 -10.614 2.825 1.00 0.00 C ATOM 0 H VAL A 88 -13.491 -10.848 2.000 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.357 -8.832 3.733 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.629 -11.815 3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.383 -11.577 5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.774 -11.132 5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.944 -9.863 5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -16.923 -11.374 2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.588 -9.627 2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -15.755 -10.676 1.813 1.00 0.00 H new ATOM 1382 N GLU A 89 -12.070 -10.689 4.988 1.00 0.00 N ATOM 1383 CA GLU A 89 -11.084 -10.644 6.036 1.00 0.00 C ATOM 1384 C GLU A 89 -10.178 -9.420 5.910 1.00 0.00 C ATOM 1385 O GLU A 89 -9.643 -8.917 6.898 1.00 0.00 O ATOM 1386 CB GLU A 89 -10.277 -11.882 6.081 1.00 0.00 C ATOM 1387 CG GLU A 89 -11.051 -13.063 6.633 1.00 0.00 C ATOM 1388 CD GLU A 89 -10.218 -14.289 6.774 1.00 0.00 C ATOM 1389 OE1 GLU A 89 -10.109 -15.059 5.820 1.00 0.00 O ATOM 1390 OE2 GLU A 89 -9.639 -14.512 7.845 1.00 0.00 O ATOM 0 H GLU A 89 -11.976 -11.473 4.342 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.631 -10.563 6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.927 -12.120 5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.393 -11.713 6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.464 -12.797 7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.894 -13.277 5.976 1.00 0.00 H new ATOM 1397 N ALA A 90 -9.982 -8.975 4.708 1.00 0.00 N ATOM 1398 CA ALA A 90 -9.213 -7.737 4.481 1.00 0.00 C ATOM 1399 C ALA A 90 -10.022 -6.475 4.827 1.00 0.00 C ATOM 1400 O ALA A 90 -9.466 -5.509 5.352 1.00 0.00 O ATOM 1401 CB ALA A 90 -8.661 -7.663 3.084 1.00 0.00 C ATOM 0 H ALA A 90 -10.329 -9.426 3.862 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.366 -7.775 5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.102 -6.735 2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.999 -8.511 2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.481 -7.689 2.367 1.00 0.00 H new ATOM 1407 N GLU A 91 -11.325 -6.484 4.539 1.00 0.00 N ATOM 1408 CA GLU A 91 -12.215 -5.366 4.864 1.00 0.00 C ATOM 1409 C GLU A 91 -12.218 -5.008 6.343 1.00 0.00 C ATOM 1410 O GLU A 91 -12.578 -3.883 6.725 1.00 0.00 O ATOM 1411 CB GLU A 91 -13.614 -5.614 4.362 1.00 0.00 C ATOM 1412 CG GLU A 91 -13.833 -5.134 2.949 1.00 0.00 C ATOM 1413 CD GLU A 91 -13.807 -3.626 2.862 1.00 0.00 C ATOM 1414 OE1 GLU A 91 -12.740 -3.017 3.052 1.00 0.00 O ATOM 1415 OE2 GLU A 91 -14.881 -3.019 2.660 1.00 0.00 O ATOM 0 H GLU A 91 -11.792 -7.263 4.076 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.810 -4.499 4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.827 -6.682 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.324 -5.115 5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.062 -5.550 2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.791 -5.503 2.583 1.00 0.00 H new ATOM 1422 N LYS A 92 -11.869 -5.979 7.164 1.00 0.00 N ATOM 1423 CA LYS A 92 -11.685 -5.797 8.586 1.00 0.00 C ATOM 1424 C LYS A 92 -10.713 -4.644 8.861 1.00 0.00 C ATOM 1425 O LYS A 92 -10.950 -3.800 9.727 1.00 0.00 O ATOM 1426 CB LYS A 92 -11.073 -7.055 9.170 1.00 0.00 C ATOM 1427 CG LYS A 92 -11.858 -8.336 8.955 1.00 0.00 C ATOM 1428 CD LYS A 92 -13.124 -8.442 9.772 1.00 0.00 C ATOM 1429 CE LYS A 92 -13.762 -9.805 9.525 1.00 0.00 C ATOM 1430 NZ LYS A 92 -14.967 -10.043 10.341 1.00 0.00 N ATOM 0 H LYS A 92 -11.703 -6.936 6.852 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.655 -5.580 9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.079 -7.185 8.742 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.942 -6.908 10.242 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -12.115 -8.416 7.899 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -11.216 -9.184 9.192 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -12.900 -8.318 10.831 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -13.817 -7.647 9.497 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -14.024 -9.890 8.470 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -13.030 -10.584 9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -15.351 -10.985 10.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -14.719 -9.992 11.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -15.682 -9.320 10.124 1.00 0.00 H new ATOM 1444 N SER A 93 -9.630 -4.616 8.103 1.00 0.00 N ATOM 1445 CA SER A 93 -8.586 -3.651 8.312 1.00 0.00 C ATOM 1446 C SER A 93 -8.027 -3.036 7.003 1.00 0.00 C ATOM 1447 O SER A 93 -8.440 -1.942 6.584 1.00 0.00 O ATOM 1448 CB SER A 93 -7.489 -4.289 9.110 1.00 0.00 C ATOM 1449 OG SER A 93 -7.996 -4.904 10.279 1.00 0.00 O ATOM 0 H SER A 93 -9.458 -5.261 7.332 1.00 0.00 H new ATOM 0 HA SER A 93 -9.023 -2.815 8.858 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.976 -5.032 8.499 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.750 -3.536 9.384 1.00 0.00 H new ATOM 0 HG SER A 93 -7.472 -4.614 11.055 1.00 0.00 H new ATOM 1455 N TYR A 94 -7.113 -3.754 6.375 1.00 0.00 N ATOM 1456 CA TYR A 94 -6.421 -3.352 5.155 1.00 0.00 C ATOM 1457 C TYR A 94 -5.732 -4.593 4.552 1.00 0.00 C ATOM 1458 O TYR A 94 -5.793 -5.681 5.132 1.00 0.00 O ATOM 1459 CB TYR A 94 -5.278 -2.303 5.427 1.00 0.00 C ATOM 1460 CG TYR A 94 -4.212 -2.572 6.448 1.00 0.00 C ATOM 1461 CD1 TYR A 94 -4.539 -2.713 7.764 1.00 0.00 C ATOM 1462 CD2 TYR A 94 -2.869 -2.589 6.094 1.00 0.00 C ATOM 1463 CE1 TYR A 94 -3.573 -2.879 8.734 1.00 0.00 C ATOM 1464 CE2 TYR A 94 -1.897 -2.764 7.045 1.00 0.00 C ATOM 1465 CZ TYR A 94 -2.247 -2.907 8.362 1.00 0.00 C ATOM 1466 OH TYR A 94 -1.266 -3.074 9.312 1.00 0.00 O ATOM 0 H TYR A 94 -6.818 -4.671 6.711 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.167 -2.909 4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.774 -2.126 4.477 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.762 -1.368 5.709 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.579 -2.694 8.054 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.588 -2.463 5.059 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.852 -2.986 9.772 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.857 -2.789 6.756 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.387 -3.071 8.879 1.00 0.00 H new ATOM 1476 N PHE A 95 -5.086 -4.398 3.424 1.00 0.00 N ATOM 1477 CA PHE A 95 -4.178 -5.368 2.804 1.00 0.00 C ATOM 1478 C PHE A 95 -2.829 -4.720 2.774 1.00 0.00 C ATOM 1479 O PHE A 95 -2.746 -3.499 2.831 1.00 0.00 O ATOM 1480 CB PHE A 95 -4.521 -5.691 1.334 1.00 0.00 C ATOM 1481 CG PHE A 95 -5.365 -6.906 1.068 1.00 0.00 C ATOM 1482 CD1 PHE A 95 -4.990 -8.151 1.556 1.00 0.00 C ATOM 1483 CD2 PHE A 95 -6.487 -6.820 0.261 1.00 0.00 C ATOM 1484 CE1 PHE A 95 -5.722 -9.282 1.252 1.00 0.00 C ATOM 1485 CE2 PHE A 95 -7.231 -7.945 -0.040 1.00 0.00 C ATOM 1486 CZ PHE A 95 -6.847 -9.181 0.454 1.00 0.00 C ATOM 0 H PHE A 95 -5.173 -3.535 2.887 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.240 -6.293 3.378 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.033 -4.827 0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.585 -5.806 0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.114 -8.236 2.182 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.784 -5.862 -0.138 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.416 -10.244 1.637 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.111 -7.861 -0.660 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.424 -10.063 0.217 1.00 0.00 H new ATOM 1496 N ILE A 96 -1.784 -5.489 2.745 1.00 0.00 N ATOM 1497 CA ILE A 96 -0.472 -4.916 2.543 1.00 0.00 C ATOM 1498 C ILE A 96 0.061 -5.436 1.223 1.00 0.00 C ATOM 1499 O ILE A 96 -0.120 -6.579 0.904 1.00 0.00 O ATOM 1500 CB ILE A 96 0.501 -5.237 3.676 1.00 0.00 C ATOM 1501 CG1 ILE A 96 -0.175 -4.972 5.011 1.00 0.00 C ATOM 1502 CG2 ILE A 96 1.736 -4.355 3.539 1.00 0.00 C ATOM 1503 CD1 ILE A 96 0.731 -5.118 6.186 1.00 0.00 C ATOM 0 H ILE A 96 -1.803 -6.503 2.856 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.565 -3.830 2.531 1.00 0.00 H new ATOM 0 HB ILE A 96 0.796 -6.285 3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.586 -3.963 5.005 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.015 -5.658 5.125 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.435 -4.579 4.345 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.216 -4.547 2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.442 -3.307 3.595 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.176 -4.913 7.101 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.123 -6.135 6.219 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.558 -4.413 6.098 1.00 0.00 H new ATOM 1515 N LEU A 97 0.672 -4.594 0.473 1.00 0.00 N ATOM 1516 CA LEU A 97 1.197 -4.921 -0.811 1.00 0.00 C ATOM 1517 C LEU A 97 2.691 -4.739 -0.689 1.00 0.00 C ATOM 1518 O LEU A 97 3.202 -3.612 -0.664 1.00 0.00 O ATOM 1519 CB LEU A 97 0.556 -3.963 -1.835 1.00 0.00 C ATOM 1520 CG LEU A 97 0.637 -4.269 -3.346 1.00 0.00 C ATOM 1521 CD1 LEU A 97 1.643 -3.389 -4.032 1.00 0.00 C ATOM 1522 CD2 LEU A 97 0.921 -5.740 -3.618 1.00 0.00 C ATOM 0 H LEU A 97 0.828 -3.622 0.741 1.00 0.00 H new ATOM 0 HA LEU A 97 0.982 -5.937 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.500 -3.877 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.002 -2.980 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.344 -4.047 -3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.674 -3.631 -5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.358 -2.344 -3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.628 -3.552 -3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.969 -5.908 -4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.873 -6.017 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.125 -6.349 -3.191 1.00 0.00 H new ATOM 1534 N ARG A 98 3.379 -5.828 -0.498 1.00 0.00 N ATOM 1535 CA ARG A 98 4.804 -5.775 -0.205 1.00 0.00 C ATOM 1536 C ARG A 98 5.541 -6.499 -1.258 1.00 0.00 C ATOM 1537 O ARG A 98 4.943 -7.309 -1.999 1.00 0.00 O ATOM 1538 CB ARG A 98 5.134 -6.529 1.087 1.00 0.00 C ATOM 1539 CG ARG A 98 4.176 -6.343 2.217 1.00 0.00 C ATOM 1540 CD ARG A 98 4.646 -7.091 3.440 1.00 0.00 C ATOM 1541 NE ARG A 98 5.834 -6.475 4.068 1.00 0.00 N ATOM 1542 CZ ARG A 98 6.761 -7.140 4.791 1.00 0.00 C ATOM 1543 NH1 ARG A 98 6.791 -8.466 4.790 1.00 0.00 N ATOM 1544 NH2 ARG A 98 7.677 -6.461 5.462 1.00 0.00 N ATOM 0 H ARG A 98 2.987 -6.769 -0.537 1.00 0.00 H new ATOM 0 HA ARG A 98 5.076 -4.722 -0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.193 -7.593 0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.124 -6.220 1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.079 -5.282 2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.187 -6.697 1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.836 -7.132 4.168 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.879 -8.119 3.164 1.00 0.00 H new ATOM 0 HE ARG A 98 5.964 -5.471 3.946 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.111 -8.991 4.240 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.494 -8.961 5.339 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.680 -5.441 5.431 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.380 -6.957 6.010 1.00 0.00 H new ATOM 1558 N MET A 99 6.823 -6.245 -1.331 1.00 0.00 N ATOM 1559 CA MET A 99 7.639 -7.038 -2.135 1.00 0.00 C ATOM 1560 C MET A 99 7.898 -8.294 -1.377 1.00 0.00 C ATOM 1561 O MET A 99 8.338 -8.246 -0.213 1.00 0.00 O ATOM 1562 CB MET A 99 8.960 -6.394 -2.478 1.00 0.00 C ATOM 1563 CG MET A 99 8.843 -5.135 -3.275 1.00 0.00 C ATOM 1564 SD MET A 99 10.337 -4.736 -4.209 1.00 0.00 S ATOM 1565 CE MET A 99 10.292 -6.011 -5.478 1.00 0.00 C ATOM 0 H MET A 99 7.299 -5.491 -0.835 1.00 0.00 H new ATOM 0 HA MET A 99 7.127 -7.207 -3.083 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.495 -6.176 -1.554 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.565 -7.108 -3.036 1.00 0.00 H new ATOM 0 HG2 MET A 99 8.005 -5.228 -3.966 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.612 -4.308 -2.603 1.00 0.00 H new ATOM 0 HE1 MET A 99 11.143 -5.888 -6.148 1.00 0.00 H new ATOM 0 HE2 MET A 99 10.339 -6.994 -5.008 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.367 -5.925 -6.048 1.00 0.00 H new ATOM 1575 N LYS A 100 7.611 -9.382 -2.003 1.00 0.00 N ATOM 1576 CA LYS A 100 7.735 -10.687 -1.438 1.00 0.00 C ATOM 1577 C LYS A 100 9.175 -10.932 -1.014 1.00 0.00 C ATOM 1578 O LYS A 100 10.092 -10.356 -1.613 1.00 0.00 O ATOM 1579 CB LYS A 100 7.285 -11.703 -2.456 1.00 0.00 C ATOM 1580 CG LYS A 100 5.897 -11.421 -2.991 1.00 0.00 C ATOM 1581 CD LYS A 100 5.403 -12.511 -3.901 1.00 0.00 C ATOM 1582 CE LYS A 100 5.033 -13.740 -3.111 1.00 0.00 C ATOM 1583 NZ LYS A 100 4.482 -14.792 -3.971 1.00 0.00 N ATOM 0 H LYS A 100 7.269 -9.390 -2.964 1.00 0.00 H new ATOM 0 HA LYS A 100 7.107 -10.775 -0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.993 -11.719 -3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.301 -12.695 -2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.205 -11.306 -2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.904 -10.475 -3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.537 -12.159 -4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.174 -12.760 -4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.914 -14.118 -2.592 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.302 -13.475 -2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 4.350 -15.661 -3.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.566 -14.483 -4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.139 -14.979 -4.755 1.00 0.00 H new ATOM 1597 N PRO A 101 9.394 -11.764 0.017 1.00 0.00 N ATOM 1598 CA PRO A 101 10.709 -11.983 0.614 1.00 0.00 C ATOM 1599 C PRO A 101 11.813 -12.330 -0.376 1.00 0.00 C ATOM 1600 O PRO A 101 11.933 -13.460 -0.879 1.00 0.00 O ATOM 1601 CB PRO A 101 10.498 -13.111 1.600 1.00 0.00 C ATOM 1602 CG PRO A 101 9.214 -13.722 1.185 1.00 0.00 C ATOM 1603 CD PRO A 101 8.385 -12.591 0.687 1.00 0.00 C ATOM 0 HA PRO A 101 11.062 -11.059 1.071 1.00 0.00 H new ATOM 0 HB2 PRO A 101 11.314 -13.833 1.560 1.00 0.00 H new ATOM 0 HB3 PRO A 101 10.450 -12.741 2.624 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.367 -14.470 0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.730 -14.227 2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.606 -12.924 0.001 1.00 0.00 H new ATOM 0 HD3 PRO A 101 7.889 -12.057 1.498 1.00 0.00 H new ATOM 1611 N HIS A 102 12.546 -11.326 -0.683 1.00 0.00 N ATOM 1612 CA HIS A 102 13.700 -11.380 -1.498 1.00 0.00 C ATOM 1613 C HIS A 102 14.763 -10.548 -0.799 1.00 0.00 C ATOM 1614 O HIS A 102 14.577 -9.336 -0.573 1.00 0.00 O ATOM 1615 CB HIS A 102 13.406 -10.892 -2.947 1.00 0.00 C ATOM 1616 CG HIS A 102 13.209 -9.399 -3.153 1.00 0.00 C ATOM 1617 ND1 HIS A 102 12.186 -8.587 -2.823 1.00 0.00 N flip ATOM 1618 CD2 HIS A 102 14.131 -8.598 -3.781 1.00 0.00 C flip ATOM 1619 CE1 HIS A 102 12.506 -7.327 -3.251 1.00 0.00 C flip ATOM 1620 NE2 HIS A 102 13.683 -7.367 -3.824 1.00 0.00 N flip ATOM 0 H HIS A 102 12.342 -10.384 -0.350 1.00 0.00 H new ATOM 0 HA HIS A 102 14.049 -12.406 -1.619 1.00 0.00 H new ATOM 0 HB2 HIS A 102 14.229 -11.215 -3.585 1.00 0.00 H new ATOM 0 HB3 HIS A 102 12.510 -11.402 -3.300 1.00 0.00 H new ATOM 0 HD1 HIS A 102 11.329 -8.861 -2.342 1.00 0.00 H new ATOM 0 HD2 HIS A 102 15.079 -8.931 -4.178 1.00 0.00 H new ATOM 0 HE1 HIS A 102 11.891 -6.447 -3.136 1.00 0.00 H new ATOM 1629 N ALA A 103 15.815 -11.187 -0.392 1.00 0.00 N ATOM 1630 CA ALA A 103 16.849 -10.545 0.373 1.00 0.00 C ATOM 1631 C ALA A 103 18.050 -11.430 0.384 1.00 0.00 C ATOM 1632 O ALA A 103 18.136 -12.349 -0.443 1.00 0.00 O ATOM 1633 CB ALA A 103 16.366 -10.330 1.802 1.00 0.00 C ATOM 0 H ALA A 103 15.986 -12.175 -0.580 1.00 0.00 H new ATOM 0 HA ALA A 103 17.097 -9.581 -0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 103 17.150 -9.843 2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 103 15.476 -9.700 1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 103 16.125 -11.293 2.253 1.00 0.00 H new ATOM 1639 N ILE A 104 18.984 -11.147 1.283 1.00 0.00 N ATOM 1640 CA ILE A 104 20.107 -11.966 1.518 1.00 0.00 C ATOM 1641 C ILE A 104 19.569 -13.306 1.973 1.00 0.00 C ATOM 1642 O ILE A 104 18.925 -13.397 3.015 1.00 0.00 O ATOM 1643 CB ILE A 104 20.947 -11.348 2.616 1.00 0.00 C ATOM 1644 CG1 ILE A 104 21.359 -9.905 2.272 1.00 0.00 C ATOM 1645 CG2 ILE A 104 22.145 -12.204 2.911 1.00 0.00 C ATOM 1646 CD1 ILE A 104 22.144 -9.202 3.365 1.00 0.00 C ATOM 0 H ILE A 104 18.956 -10.314 1.871 1.00 0.00 H new ATOM 0 HA ILE A 104 20.726 -12.074 0.628 1.00 0.00 H new ATOM 0 HB ILE A 104 20.335 -11.299 3.517 1.00 0.00 H new ATOM 0 HG12 ILE A 104 21.958 -9.918 1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 104 20.462 -9.325 2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 104 22.736 -11.743 3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 104 21.816 -13.192 3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 104 22.754 -12.299 2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.394 -8.192 3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 104 21.541 -9.154 4.272 1.00 0.00 H new ATOM 0 HD13 ILE A 104 23.061 -9.755 3.568 1.00 0.00 H new ATOM 1658 N ALA A 105 19.759 -14.311 1.183 1.00 0.00 N ATOM 1659 CA ALA A 105 19.130 -15.558 1.450 1.00 0.00 C ATOM 1660 C ALA A 105 20.052 -16.559 2.083 1.00 0.00 C ATOM 1661 O ALA A 105 20.850 -17.213 1.405 1.00 0.00 O ATOM 1662 CB ALA A 105 18.488 -16.115 0.194 1.00 0.00 C ATOM 0 H ALA A 105 20.345 -14.291 0.348 1.00 0.00 H new ATOM 0 HA ALA A 105 18.348 -15.364 2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 105 18.013 -17.069 0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 105 17.738 -15.414 -0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 105 19.251 -16.262 -0.570 1.00 0.00 H new ATOM 1668 N ASP A 106 19.951 -16.666 3.379 1.00 0.00 N ATOM 1669 CA ASP A 106 20.647 -17.672 4.121 1.00 0.00 C ATOM 1670 C ASP A 106 19.621 -18.715 4.462 1.00 0.00 C ATOM 1671 O ASP A 106 19.001 -18.710 5.535 1.00 0.00 O ATOM 1672 CB ASP A 106 21.310 -17.127 5.398 1.00 0.00 C ATOM 1673 CG ASP A 106 22.147 -18.175 6.112 1.00 0.00 C ATOM 1674 OD1 ASP A 106 21.613 -18.953 6.923 1.00 0.00 O ATOM 1675 OD2 ASP A 106 23.362 -18.241 5.872 1.00 0.00 O ATOM 0 H ASP A 106 19.376 -16.049 3.953 1.00 0.00 H new ATOM 0 HA ASP A 106 21.466 -18.074 3.524 1.00 0.00 H new ATOM 0 HB2 ASP A 106 21.941 -16.276 5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 106 20.539 -16.759 6.075 1.00 0.00 H new ATOM 1680 N ARG A 107 19.327 -19.498 3.487 1.00 0.00 N ATOM 1681 CA ARG A 107 18.332 -20.516 3.608 1.00 0.00 C ATOM 1682 C ARG A 107 18.980 -21.890 3.690 1.00 0.00 C ATOM 1683 O ARG A 107 19.241 -22.504 2.657 1.00 0.00 O ATOM 1684 CB ARG A 107 17.234 -20.387 2.485 1.00 0.00 C ATOM 1685 CG ARG A 107 17.566 -20.754 0.999 1.00 0.00 C ATOM 1686 CD ARG A 107 18.806 -20.066 0.412 1.00 0.00 C ATOM 1687 NE ARG A 107 20.053 -20.729 0.832 1.00 0.00 N ATOM 1688 CZ ARG A 107 21.279 -20.479 0.334 1.00 0.00 C ATOM 1689 NH1 ARG A 107 21.452 -19.518 -0.549 1.00 0.00 N ATOM 1690 NH2 ARG A 107 22.325 -21.197 0.731 1.00 0.00 N ATOM 1691 OXT ARG A 107 19.301 -22.328 4.810 1.00 0.00 O ATOM 0 H ARG A 107 19.772 -19.454 2.570 1.00 0.00 H new ATOM 0 HA ARG A 107 17.795 -20.379 4.546 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.390 -21.007 2.788 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.888 -19.353 2.491 1.00 0.00 H new ATOM 0 HG2 ARG A 107 17.704 -21.833 0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.705 -20.503 0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 107 18.742 -20.069 -0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 107 18.826 -19.023 0.727 1.00 0.00 H new ATOM 0 HE ARG A 107 19.982 -21.438 1.562 1.00 0.00 H new ATOM 0 HH11 ARG A 107 20.656 -18.960 -0.858 1.00 0.00 H new ATOM 0 HH12 ARG A 107 22.382 -19.331 -0.924 1.00 0.00 H new ATOM 0 HH21 ARG A 107 22.201 -21.942 1.417 1.00 0.00 H new ATOM 0 HH22 ARG A 107 23.251 -21.003 0.350 1.00 0.00 H new TER 1705 ARG A 107