USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 715 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 64 ASN : amide:sc= -0.0438 K(o=-0.044,f=-2.5!) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 51 ASN : amide:sc= 0.00436 X(o=0.067,f=-0.073) USER MOD Set 2.2: A 55 ASN :FLIP amide:sc= 0.0629 X(o=-0.073,f=0.067) USER MOD Set 3.1: A 9 THR OG1 : rot 180:sc= -0.425 USER MOD Set 3.2: A 46 MET CE :methyl -153:sc= -2.94 (180deg=-1.14) USER MOD Set 4.1: A 6 TYR OH : rot -30:sc= -0.71 USER MOD Set 4.2: A 38 TYR OH : rot -57:sc= -0.592! USER MOD Set 5.1: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.733 (180deg=0.00123) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0.0413 USER MOD Single : A 14 THR OG1 : rot -74:sc= 1.26 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -139:sc= -0.146 (180deg=-1.52) USER MOD Single : A 28 SER OG : rot -99:sc= 0.0721 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00327 USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= -0.387 (180deg=-0.99) USER MOD Single : A 45 GLN : amide:sc= -0.368 K(o=-0.37,f=-1.3) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.00903) USER MOD Single : A 61 ASN :FLIP amide:sc= -3.79! C(o=-6.9!,f=-3.8!) USER MOD Single : A 63 ASN : amide:sc=-0.000894 X(o=-0.00089,f=-0.00089) USER MOD Single : A 67 SER OG : rot -47:sc= 0.922 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 117:sc= -0.818 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.382 0.647 -0.296 1.00 0.00 N ATOM 2 CA MET A 1 2.042 0.697 -1.596 1.00 0.00 C ATOM 3 C MET A 1 1.390 -0.275 -2.574 1.00 0.00 C ATOM 4 O MET A 1 0.636 -1.162 -2.173 1.00 0.00 O ATOM 5 CB MET A 1 3.529 0.372 -1.450 1.00 0.00 C ATOM 6 CG MET A 1 3.797 -1.036 -0.945 1.00 0.00 C ATOM 7 SD MET A 1 3.931 -1.117 0.851 1.00 0.00 S ATOM 8 CE MET A 1 5.640 -1.617 1.042 1.00 0.00 C ATOM 0 H1 MET A 1 1.178 1.614 0.027 1.00 0.00 H new ATOM 0 H2 MET A 1 0.492 0.115 -0.379 1.00 0.00 H new ATOM 0 H3 MET A 1 2.004 0.176 0.391 1.00 0.00 H new ATOM 0 HA MET A 1 1.936 1.707 -1.991 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.017 0.502 -2.416 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.983 1.088 -0.765 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.994 -1.695 -1.275 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.719 -1.408 -1.391 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.876 -1.710 2.102 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.795 -2.577 0.550 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.291 -0.868 0.590 1.00 0.00 H new ATOM 18 N VAL A 2 1.686 -0.103 -3.858 1.00 0.00 N ATOM 19 CA VAL A 2 1.130 -0.966 -4.893 1.00 0.00 C ATOM 20 C VAL A 2 2.235 -1.620 -5.716 1.00 0.00 C ATOM 21 O VAL A 2 3.188 -0.961 -6.133 1.00 0.00 O ATOM 22 CB VAL A 2 0.199 -0.182 -5.837 1.00 0.00 C ATOM 23 CG1 VAL A 2 -0.909 0.500 -5.048 1.00 0.00 C ATOM 24 CG2 VAL A 2 0.992 0.833 -6.646 1.00 0.00 C ATOM 0 H VAL A 2 2.308 0.626 -4.207 1.00 0.00 H new ATOM 0 HA VAL A 2 0.554 -1.739 -4.384 1.00 0.00 H new ATOM 0 HB VAL A 2 -0.262 -0.885 -6.531 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.557 1.049 -5.731 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.494 -0.252 -4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.471 1.192 -4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 2 0.318 1.378 -7.307 1.00 0.00 H new ATOM 0 HG22 VAL A 2 1.482 1.534 -5.970 1.00 0.00 H new ATOM 0 HG23 VAL A 2 1.745 0.316 -7.241 1.00 0.00 H new ATOM 34 N THR A 3 2.101 -2.923 -5.947 1.00 0.00 N ATOM 35 CA THR A 3 3.087 -3.668 -6.719 1.00 0.00 C ATOM 36 C THR A 3 2.634 -3.846 -8.163 1.00 0.00 C ATOM 37 O THR A 3 1.645 -4.527 -8.435 1.00 0.00 O ATOM 38 CB THR A 3 3.354 -5.054 -6.102 1.00 0.00 C ATOM 39 OG1 THR A 3 3.575 -4.928 -4.693 1.00 0.00 O ATOM 40 CG2 THR A 3 4.560 -5.713 -6.753 1.00 0.00 C ATOM 0 H THR A 3 1.318 -3.484 -5.610 1.00 0.00 H new ATOM 0 HA THR A 3 4.009 -3.086 -6.699 1.00 0.00 H new ATOM 0 HB THR A 3 2.479 -5.680 -6.278 1.00 0.00 H new ATOM 0 HG1 THR A 3 3.742 -5.813 -4.308 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.729 -6.690 -6.301 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.376 -5.834 -7.821 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.440 -5.088 -6.605 1.00 0.00 H new ATOM 48 N VAL A 4 3.364 -3.229 -9.088 1.00 0.00 N ATOM 49 CA VAL A 4 3.038 -3.322 -10.506 1.00 0.00 C ATOM 50 C VAL A 4 4.027 -4.221 -11.240 1.00 0.00 C ATOM 51 O VAL A 4 5.197 -4.307 -10.868 1.00 0.00 O ATOM 52 CB VAL A 4 3.032 -1.933 -11.172 1.00 0.00 C ATOM 53 CG1 VAL A 4 2.532 -2.030 -12.605 1.00 0.00 C ATOM 54 CG2 VAL A 4 2.184 -0.960 -10.367 1.00 0.00 C ATOM 0 H VAL A 4 4.185 -2.660 -8.880 1.00 0.00 H new ATOM 0 HA VAL A 4 2.040 -3.754 -10.574 1.00 0.00 H new ATOM 0 HB VAL A 4 4.054 -1.555 -11.194 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.535 -1.039 -13.059 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.185 -2.692 -13.174 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.518 -2.429 -12.610 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.191 0.016 -10.852 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.160 -1.330 -10.311 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.592 -0.868 -9.361 1.00 0.00 H new ATOM 64 N ARG A 5 3.548 -4.889 -12.284 1.00 0.00 N ATOM 65 CA ARG A 5 4.390 -5.782 -13.071 1.00 0.00 C ATOM 66 C ARG A 5 4.568 -5.253 -14.490 1.00 0.00 C ATOM 67 O ARG A 5 3.674 -4.608 -15.040 1.00 0.00 O ATOM 68 CB ARG A 5 3.782 -7.186 -13.111 1.00 0.00 C ATOM 69 CG ARG A 5 3.617 -7.818 -11.739 1.00 0.00 C ATOM 70 CD ARG A 5 3.690 -9.335 -11.811 1.00 0.00 C ATOM 71 NE ARG A 5 3.847 -9.939 -10.491 1.00 0.00 N ATOM 72 CZ ARG A 5 3.932 -11.249 -10.288 1.00 0.00 C ATOM 73 NH1 ARG A 5 3.876 -12.087 -11.313 1.00 0.00 N ATOM 74 NH2 ARG A 5 4.074 -11.723 -9.056 1.00 0.00 N ATOM 0 H ARG A 5 2.582 -4.829 -12.605 1.00 0.00 H new ATOM 0 HA ARG A 5 5.369 -5.830 -12.595 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.808 -7.137 -13.599 1.00 0.00 H new ATOM 0 HB3 ARG A 5 4.414 -7.829 -13.724 1.00 0.00 H new ATOM 0 HG2 ARG A 5 4.394 -7.447 -11.071 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.660 -7.519 -11.312 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.784 -9.720 -12.280 1.00 0.00 H new ATOM 0 HD3 ARG A 5 4.527 -9.628 -12.445 1.00 0.00 H new ATOM 0 HE ARG A 5 3.894 -9.321 -9.681 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.767 -11.727 -12.261 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.942 -13.092 -11.154 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.118 -11.081 -8.265 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.139 -12.729 -8.901 1.00 0.00 H new ATOM 88 N TYR A 6 5.727 -5.528 -15.078 1.00 0.00 N ATOM 89 CA TYR A 6 6.023 -5.077 -16.433 1.00 0.00 C ATOM 90 C TYR A 6 6.375 -6.256 -17.335 1.00 0.00 C ATOM 91 O TYR A 6 7.273 -7.041 -17.028 1.00 0.00 O ATOM 92 CB TYR A 6 7.175 -4.071 -16.417 1.00 0.00 C ATOM 93 CG TYR A 6 7.074 -3.052 -15.304 1.00 0.00 C ATOM 94 CD1 TYR A 6 5.853 -2.477 -14.970 1.00 0.00 C ATOM 95 CD2 TYR A 6 8.198 -2.664 -14.586 1.00 0.00 C ATOM 96 CE1 TYR A 6 5.756 -1.546 -13.955 1.00 0.00 C ATOM 97 CE2 TYR A 6 8.110 -1.735 -13.568 1.00 0.00 C ATOM 98 CZ TYR A 6 6.887 -1.178 -13.256 1.00 0.00 C ATOM 99 OH TYR A 6 6.795 -0.251 -12.244 1.00 0.00 O ATOM 0 H TYR A 6 6.477 -6.061 -14.638 1.00 0.00 H new ATOM 0 HA TYR A 6 5.131 -4.593 -16.831 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.117 -4.611 -16.319 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.204 -3.550 -17.374 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.965 -2.764 -15.514 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.158 -3.096 -14.828 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.800 -1.108 -13.710 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.994 -1.446 -13.019 1.00 0.00 H new ATOM 0 HH TYR A 6 6.064 0.372 -12.437 1.00 0.00 H new ATOM 109 N TYR A 7 5.662 -6.373 -18.449 1.00 0.00 N ATOM 110 CA TYR A 7 5.897 -7.457 -19.396 1.00 0.00 C ATOM 111 C TYR A 7 6.110 -6.912 -20.805 1.00 0.00 C ATOM 112 O TYR A 7 6.938 -7.421 -21.561 1.00 0.00 O ATOM 113 CB TYR A 7 4.720 -8.433 -19.388 1.00 0.00 C ATOM 114 CG TYR A 7 4.546 -9.160 -18.074 1.00 0.00 C ATOM 115 CD1 TYR A 7 3.764 -8.623 -17.058 1.00 0.00 C ATOM 116 CD2 TYR A 7 5.164 -10.384 -17.847 1.00 0.00 C ATOM 117 CE1 TYR A 7 3.602 -9.283 -15.856 1.00 0.00 C ATOM 118 CE2 TYR A 7 5.007 -11.052 -16.648 1.00 0.00 C ATOM 119 CZ TYR A 7 4.225 -10.497 -15.655 1.00 0.00 C ATOM 120 OH TYR A 7 4.068 -11.159 -14.459 1.00 0.00 O ATOM 0 H TYR A 7 4.917 -5.731 -18.719 1.00 0.00 H new ATOM 0 HA TYR A 7 6.800 -7.984 -19.089 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.804 -7.887 -19.616 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.861 -9.165 -20.183 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.274 -7.673 -17.211 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.778 -10.820 -18.621 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.991 -8.851 -15.077 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.493 -12.003 -16.488 1.00 0.00 H new ATOM 0 HH TYR A 7 4.572 -11.999 -14.482 1.00 0.00 H new ATOM 130 N ALA A 8 5.358 -5.872 -21.151 1.00 0.00 N ATOM 131 CA ALA A 8 5.465 -5.256 -22.467 1.00 0.00 C ATOM 132 C ALA A 8 6.839 -4.626 -22.668 1.00 0.00 C ATOM 133 O ALA A 8 7.816 -5.024 -22.031 1.00 0.00 O ATOM 134 CB ALA A 8 4.372 -4.213 -22.652 1.00 0.00 C ATOM 0 H ALA A 8 4.668 -5.439 -20.537 1.00 0.00 H new ATOM 0 HA ALA A 8 5.339 -6.036 -23.218 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.464 -3.761 -23.640 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.396 -4.689 -22.560 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.473 -3.441 -21.889 1.00 0.00 H new ATOM 140 N THR A 9 6.909 -3.641 -23.558 1.00 0.00 N ATOM 141 CA THR A 9 8.164 -2.957 -23.844 1.00 0.00 C ATOM 142 C THR A 9 8.674 -2.207 -22.618 1.00 0.00 C ATOM 143 O THR A 9 9.803 -1.716 -22.603 1.00 0.00 O ATOM 144 CB THR A 9 8.010 -1.964 -25.011 1.00 0.00 C ATOM 145 OG1 THR A 9 7.026 -0.976 -24.687 1.00 0.00 O ATOM 146 CG2 THR A 9 7.607 -2.688 -26.287 1.00 0.00 C ATOM 0 H THR A 9 6.111 -3.299 -24.093 1.00 0.00 H new ATOM 0 HA THR A 9 8.885 -3.725 -24.123 1.00 0.00 H new ATOM 0 HB THR A 9 8.972 -1.478 -25.175 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.935 -0.348 -25.433 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.504 -1.967 -27.098 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.372 -3.420 -26.547 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.656 -3.197 -26.132 1.00 0.00 H new ATOM 154 N LEU A 10 7.835 -2.123 -21.591 1.00 0.00 N ATOM 155 CA LEU A 10 8.201 -1.433 -20.359 1.00 0.00 C ATOM 156 C LEU A 10 9.333 -2.162 -19.642 1.00 0.00 C ATOM 157 O LEU A 10 10.162 -1.541 -18.977 1.00 0.00 O ATOM 158 CB LEU A 10 6.987 -1.318 -19.436 1.00 0.00 C ATOM 159 CG LEU A 10 7.198 -0.526 -18.145 1.00 0.00 C ATOM 160 CD1 LEU A 10 7.788 0.842 -18.448 1.00 0.00 C ATOM 161 CD2 LEU A 10 5.888 -0.388 -17.383 1.00 0.00 C ATOM 0 H LEU A 10 6.897 -2.524 -21.587 1.00 0.00 H new ATOM 0 HA LEU A 10 8.547 -0.433 -20.621 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.174 -0.854 -19.994 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.660 -2.324 -19.172 1.00 0.00 H new ATOM 0 HG LEU A 10 7.903 -1.072 -17.518 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.931 1.391 -17.517 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.748 0.721 -18.949 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.108 1.396 -19.095 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.058 0.178 -16.467 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.160 0.135 -18.003 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.507 -1.378 -17.132 1.00 0.00 H new ATOM 173 N ARG A 11 9.361 -3.484 -19.783 1.00 0.00 N ATOM 174 CA ARG A 11 10.391 -4.298 -19.149 1.00 0.00 C ATOM 175 C ARG A 11 11.783 -3.761 -19.472 1.00 0.00 C ATOM 176 O ARG A 11 12.537 -3.353 -18.589 1.00 0.00 O ATOM 177 CB ARG A 11 10.275 -5.753 -19.608 1.00 0.00 C ATOM 178 CG ARG A 11 9.906 -6.715 -18.491 1.00 0.00 C ATOM 179 CD ARG A 11 10.845 -7.911 -18.453 1.00 0.00 C ATOM 180 NE ARG A 11 12.110 -7.592 -17.796 1.00 0.00 N ATOM 181 CZ ARG A 11 13.161 -8.404 -17.791 1.00 0.00 C ATOM 182 NH1 ARG A 11 13.098 -9.578 -18.404 1.00 0.00 N ATOM 183 NH2 ARG A 11 14.277 -8.043 -17.171 1.00 0.00 N ATOM 0 H ARG A 11 8.682 -4.013 -20.330 1.00 0.00 H new ATOM 0 HA ARG A 11 10.243 -4.251 -18.070 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.524 -5.818 -20.395 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.224 -6.064 -20.046 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.940 -6.194 -17.534 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.881 -7.060 -18.630 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.362 -8.735 -17.928 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.040 -8.251 -19.470 1.00 0.00 H new ATOM 0 HE ARG A 11 12.191 -6.696 -17.315 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.241 -9.859 -18.881 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.906 -10.200 -18.399 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.328 -7.141 -16.697 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.084 -8.667 -17.168 1.00 0.00 H new ATOM 197 N PRO A 12 12.132 -3.761 -20.767 1.00 0.00 N ATOM 198 CA PRO A 12 13.434 -3.278 -21.236 1.00 0.00 C ATOM 199 C PRO A 12 13.575 -1.766 -21.097 1.00 0.00 C ATOM 200 O PRO A 12 14.658 -1.213 -21.296 1.00 0.00 O ATOM 201 CB PRO A 12 13.453 -3.683 -22.711 1.00 0.00 C ATOM 202 CG PRO A 12 12.017 -3.766 -23.100 1.00 0.00 C ATOM 203 CD PRO A 12 11.283 -4.233 -21.873 1.00 0.00 C ATOM 0 HA PRO A 12 14.257 -3.695 -20.655 1.00 0.00 H new ATOM 0 HB2 PRO A 12 13.985 -2.949 -23.316 1.00 0.00 H new ATOM 0 HB3 PRO A 12 13.957 -4.639 -22.853 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.646 -2.796 -23.432 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.876 -4.461 -23.928 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.280 -3.809 -21.819 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.172 -5.317 -21.860 1.00 0.00 H new ATOM 211 N ILE A 13 12.476 -1.103 -20.754 1.00 0.00 N ATOM 212 CA ILE A 13 12.479 0.345 -20.587 1.00 0.00 C ATOM 213 C ILE A 13 12.780 0.732 -19.143 1.00 0.00 C ATOM 214 O ILE A 13 13.346 1.793 -18.877 1.00 0.00 O ATOM 215 CB ILE A 13 11.130 0.962 -21.001 1.00 0.00 C ATOM 216 CG1 ILE A 13 10.976 0.931 -22.523 1.00 0.00 C ATOM 217 CG2 ILE A 13 11.017 2.388 -20.481 1.00 0.00 C ATOM 218 CD1 ILE A 13 9.551 1.129 -22.990 1.00 0.00 C ATOM 0 H ILE A 13 11.572 -1.545 -20.586 1.00 0.00 H new ATOM 0 HA ILE A 13 13.263 0.735 -21.236 1.00 0.00 H new ATOM 0 HB ILE A 13 10.327 0.371 -20.561 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.604 1.708 -22.960 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.343 -0.024 -22.898 1.00 0.00 H new ATOM 0 HG21 ILE A 13 10.058 2.810 -20.782 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.087 2.385 -19.393 1.00 0.00 H new ATOM 0 HG23 ILE A 13 11.825 2.991 -20.895 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.517 1.095 -24.079 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.921 0.338 -22.583 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.186 2.097 -22.645 1.00 0.00 H new ATOM 230 N THR A 14 12.399 -0.137 -18.212 1.00 0.00 N ATOM 231 CA THR A 14 12.629 0.112 -16.794 1.00 0.00 C ATOM 232 C THR A 14 13.760 -0.759 -16.259 1.00 0.00 C ATOM 233 O THR A 14 14.263 -0.534 -15.158 1.00 0.00 O ATOM 234 CB THR A 14 11.358 -0.151 -15.965 1.00 0.00 C ATOM 235 OG1 THR A 14 10.695 -1.327 -16.442 1.00 0.00 O ATOM 236 CG2 THR A 14 10.409 1.036 -16.037 1.00 0.00 C ATOM 0 H THR A 14 11.930 -1.020 -18.414 1.00 0.00 H new ATOM 0 HA THR A 14 12.906 1.162 -16.698 1.00 0.00 H new ATOM 0 HB THR A 14 11.654 -0.298 -14.926 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.256 -1.131 -17.296 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.519 0.827 -15.444 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.906 1.923 -15.645 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.121 1.210 -17.074 1.00 0.00 H new ATOM 244 N LYS A 15 14.158 -1.753 -17.046 1.00 0.00 N ATOM 245 CA LYS A 15 15.232 -2.657 -16.652 1.00 0.00 C ATOM 246 C LYS A 15 14.886 -3.382 -15.356 1.00 0.00 C ATOM 247 O LYS A 15 15.770 -3.743 -14.579 1.00 0.00 O ATOM 248 CB LYS A 15 16.541 -1.883 -16.482 1.00 0.00 C ATOM 249 CG LYS A 15 17.007 -1.190 -17.751 1.00 0.00 C ATOM 250 CD LYS A 15 18.513 -0.987 -17.755 1.00 0.00 C ATOM 251 CE LYS A 15 18.917 0.205 -16.900 1.00 0.00 C ATOM 252 NZ LYS A 15 20.306 0.653 -17.194 1.00 0.00 N ATOM 0 H LYS A 15 13.753 -1.953 -17.960 1.00 0.00 H new ATOM 0 HA LYS A 15 15.355 -3.399 -17.441 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.413 -1.138 -15.697 1.00 0.00 H new ATOM 0 HB3 LYS A 15 17.318 -2.569 -16.146 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.717 -1.783 -18.618 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.509 -0.225 -17.844 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.003 -1.886 -17.382 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.858 -0.836 -18.778 1.00 0.00 H new ATOM 0 HE2 LYS A 15 18.225 1.029 -17.075 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.836 -0.060 -15.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.543 1.467 -16.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.969 -0.125 -17.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.377 0.931 -18.194 1.00 0.00 H new ATOM 266 N LYS A 16 13.594 -3.594 -15.129 1.00 0.00 N ATOM 267 CA LYS A 16 13.130 -4.279 -13.928 1.00 0.00 C ATOM 268 C LYS A 16 11.961 -5.205 -14.247 1.00 0.00 C ATOM 269 O LYS A 16 11.315 -5.071 -15.287 1.00 0.00 O ATOM 270 CB LYS A 16 12.712 -3.261 -12.865 1.00 0.00 C ATOM 271 CG LYS A 16 13.881 -2.516 -12.243 1.00 0.00 C ATOM 272 CD LYS A 16 13.532 -1.064 -11.964 1.00 0.00 C ATOM 273 CE LYS A 16 14.763 -0.173 -12.031 1.00 0.00 C ATOM 274 NZ LYS A 16 15.415 -0.027 -10.700 1.00 0.00 N ATOM 0 H LYS A 16 12.849 -3.301 -15.761 1.00 0.00 H new ATOM 0 HA LYS A 16 13.953 -4.881 -13.543 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.029 -2.539 -13.314 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.160 -3.775 -12.078 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.173 -3.006 -11.314 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.741 -2.563 -12.912 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.793 -0.721 -12.688 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.075 -0.981 -10.978 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.476 -0.592 -12.741 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.480 0.810 -12.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.250 0.587 -10.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.743 0.396 -10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.709 -0.962 -10.353 1.00 0.00 H new ATOM 288 N LYS A 17 11.692 -6.144 -13.346 1.00 0.00 N ATOM 289 CA LYS A 17 10.599 -7.091 -13.529 1.00 0.00 C ATOM 290 C LYS A 17 9.398 -6.709 -12.670 1.00 0.00 C ATOM 291 O LYS A 17 8.257 -7.022 -13.007 1.00 0.00 O ATOM 292 CB LYS A 17 11.060 -8.507 -13.179 1.00 0.00 C ATOM 293 CG LYS A 17 12.333 -8.927 -13.893 1.00 0.00 C ATOM 294 CD LYS A 17 12.844 -10.264 -13.383 1.00 0.00 C ATOM 295 CE LYS A 17 14.331 -10.432 -13.654 1.00 0.00 C ATOM 296 NZ LYS A 17 14.892 -11.619 -12.951 1.00 0.00 N ATOM 0 H LYS A 17 12.217 -6.269 -12.481 1.00 0.00 H new ATOM 0 HA LYS A 17 10.298 -7.062 -14.576 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.219 -8.573 -12.103 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.265 -9.210 -13.427 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.145 -8.993 -14.965 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.099 -8.165 -13.750 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.657 -10.342 -12.312 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.292 -11.073 -13.862 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.495 -10.534 -14.727 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.862 -9.536 -13.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.907 -11.699 -13.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.758 -11.510 -11.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.403 -12.478 -13.275 1.00 0.00 H new ATOM 310 N GLU A 18 9.663 -6.029 -11.559 1.00 0.00 N ATOM 311 CA GLU A 18 8.603 -5.604 -10.652 1.00 0.00 C ATOM 312 C GLU A 18 9.023 -4.365 -9.866 1.00 0.00 C ATOM 313 O GLU A 18 10.187 -4.220 -9.493 1.00 0.00 O ATOM 314 CB GLU A 18 8.242 -6.736 -9.688 1.00 0.00 C ATOM 315 CG GLU A 18 7.259 -6.323 -8.605 1.00 0.00 C ATOM 316 CD GLU A 18 6.997 -7.429 -7.602 1.00 0.00 C ATOM 317 OE1 GLU A 18 6.242 -8.366 -7.935 1.00 0.00 O ATOM 318 OE2 GLU A 18 7.549 -7.358 -6.484 1.00 0.00 O ATOM 0 H GLU A 18 10.602 -5.761 -11.265 1.00 0.00 H new ATOM 0 HA GLU A 18 7.727 -5.353 -11.250 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.817 -7.564 -10.256 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.153 -7.106 -9.218 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.646 -5.448 -8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.318 -6.027 -9.068 1.00 0.00 H new ATOM 325 N GLU A 19 8.067 -3.476 -9.618 1.00 0.00 N ATOM 326 CA GLU A 19 8.339 -2.249 -8.878 1.00 0.00 C ATOM 327 C GLU A 19 7.160 -1.883 -7.980 1.00 0.00 C ATOM 328 O GLU A 19 6.048 -2.381 -8.161 1.00 0.00 O ATOM 329 CB GLU A 19 8.635 -1.100 -9.843 1.00 0.00 C ATOM 330 CG GLU A 19 10.118 -0.813 -10.011 1.00 0.00 C ATOM 331 CD GLU A 19 10.811 -0.533 -8.692 1.00 0.00 C ATOM 332 OE1 GLU A 19 10.619 0.573 -8.144 1.00 0.00 O ATOM 333 OE2 GLU A 19 11.546 -1.419 -8.207 1.00 0.00 O ATOM 0 H GLU A 19 7.098 -3.582 -9.918 1.00 0.00 H new ATOM 0 HA GLU A 19 9.213 -2.420 -8.250 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.206 -1.335 -10.817 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.137 -0.199 -9.485 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.596 -1.664 -10.495 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.246 0.043 -10.673 1.00 0.00 H new ATOM 340 N THR A 20 7.411 -1.009 -7.010 1.00 0.00 N ATOM 341 CA THR A 20 6.373 -0.577 -6.083 1.00 0.00 C ATOM 342 C THR A 20 6.119 0.921 -6.202 1.00 0.00 C ATOM 343 O THR A 20 7.025 1.691 -6.519 1.00 0.00 O ATOM 344 CB THR A 20 6.747 -0.909 -4.626 1.00 0.00 C ATOM 345 OG1 THR A 20 8.170 -0.872 -4.465 1.00 0.00 O ATOM 346 CG2 THR A 20 6.223 -2.282 -4.232 1.00 0.00 C ATOM 0 H THR A 20 8.325 -0.587 -6.846 1.00 0.00 H new ATOM 0 HA THR A 20 5.466 -1.119 -6.350 1.00 0.00 H new ATOM 0 HB THR A 20 6.288 -0.163 -3.977 1.00 0.00 H new ATOM 0 HG1 THR A 20 8.400 -1.082 -3.536 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.499 -2.494 -3.199 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.137 -2.298 -4.328 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.656 -3.038 -4.886 1.00 0.00 H new ATOM 354 N PHE A 21 4.880 1.328 -5.945 1.00 0.00 N ATOM 355 CA PHE A 21 4.506 2.736 -6.023 1.00 0.00 C ATOM 356 C PHE A 21 3.606 3.125 -4.855 1.00 0.00 C ATOM 357 O PHE A 21 3.043 2.266 -4.178 1.00 0.00 O ATOM 358 CB PHE A 21 3.796 3.024 -7.347 1.00 0.00 C ATOM 359 CG PHE A 21 4.641 2.739 -8.556 1.00 0.00 C ATOM 360 CD1 PHE A 21 5.907 3.289 -8.677 1.00 0.00 C ATOM 361 CD2 PHE A 21 4.170 1.921 -9.570 1.00 0.00 C ATOM 362 CE1 PHE A 21 6.687 3.029 -9.788 1.00 0.00 C ATOM 363 CE2 PHE A 21 4.946 1.657 -10.683 1.00 0.00 C ATOM 364 CZ PHE A 21 6.206 2.211 -10.792 1.00 0.00 C ATOM 0 H PHE A 21 4.118 0.703 -5.681 1.00 0.00 H new ATOM 0 HA PHE A 21 5.417 3.332 -5.970 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.887 2.425 -7.400 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.490 4.070 -7.366 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.289 3.928 -7.894 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.185 1.485 -9.490 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.672 3.465 -9.871 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.567 1.018 -11.467 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.814 2.005 -11.660 1.00 0.00 H new ATOM 374 N ASN A 22 3.476 4.428 -4.624 1.00 0.00 N ATOM 375 CA ASN A 22 2.645 4.932 -3.537 1.00 0.00 C ATOM 376 C ASN A 22 1.944 6.225 -3.943 1.00 0.00 C ATOM 377 O ASN A 22 2.509 7.052 -4.658 1.00 0.00 O ATOM 378 CB ASN A 22 3.495 5.171 -2.287 1.00 0.00 C ATOM 379 CG ASN A 22 2.683 5.077 -1.009 1.00 0.00 C ATOM 380 OD1 ASN A 22 1.788 5.888 -0.769 1.00 0.00 O ATOM 381 ND2 ASN A 22 2.992 4.085 -0.183 1.00 0.00 N ATOM 0 H ASN A 22 3.935 5.153 -5.175 1.00 0.00 H new ATOM 0 HA ASN A 22 1.886 4.182 -3.315 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.303 4.440 -2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.958 6.156 -2.349 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.480 3.971 0.692 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.742 3.436 -0.423 1.00 0.00 H new ATOM 388 N GLY A 23 0.709 6.393 -3.480 1.00 0.00 N ATOM 389 CA GLY A 23 -0.049 7.587 -3.804 1.00 0.00 C ATOM 390 C GLY A 23 -1.121 7.328 -4.845 1.00 0.00 C ATOM 391 O GLY A 23 -2.101 8.068 -4.932 1.00 0.00 O ATOM 0 H GLY A 23 0.220 5.723 -2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.513 7.976 -2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.630 8.357 -4.170 1.00 0.00 H new ATOM 395 N ILE A 24 -0.934 6.277 -5.636 1.00 0.00 N ATOM 396 CA ILE A 24 -1.893 5.924 -6.675 1.00 0.00 C ATOM 397 C ILE A 24 -2.911 4.911 -6.163 1.00 0.00 C ATOM 398 O ILE A 24 -2.547 3.838 -5.682 1.00 0.00 O ATOM 399 CB ILE A 24 -1.189 5.344 -7.917 1.00 0.00 C ATOM 400 CG1 ILE A 24 -0.195 6.358 -8.486 1.00 0.00 C ATOM 401 CG2 ILE A 24 -2.214 4.950 -8.970 1.00 0.00 C ATOM 402 CD1 ILE A 24 1.020 5.721 -9.123 1.00 0.00 C ATOM 0 H ILE A 24 -0.127 5.655 -5.577 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.408 6.843 -6.954 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.639 4.451 -7.622 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.702 6.975 -9.227 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.131 7.023 -7.686 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.702 4.542 -9.841 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.887 4.197 -8.559 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.789 5.828 -9.265 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.681 6.499 -9.505 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.551 5.126 -8.380 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.705 5.078 -9.945 1.00 0.00 H new ATOM 414 N SER A 25 -4.189 5.259 -6.270 1.00 0.00 N ATOM 415 CA SER A 25 -5.261 4.381 -5.816 1.00 0.00 C ATOM 416 C SER A 25 -6.148 3.957 -6.983 1.00 0.00 C ATOM 417 O SER A 25 -6.802 2.915 -6.935 1.00 0.00 O ATOM 418 CB SER A 25 -6.104 5.081 -4.748 1.00 0.00 C ATOM 419 OG SER A 25 -5.543 4.906 -3.459 1.00 0.00 O ATOM 0 H SER A 25 -4.508 6.143 -6.667 1.00 0.00 H new ATOM 0 HA SER A 25 -4.808 3.489 -5.384 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.175 6.145 -4.976 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.119 4.684 -4.763 1.00 0.00 H new ATOM 0 HG SER A 25 -6.099 5.364 -2.795 1.00 0.00 H new ATOM 425 N LYS A 26 -6.164 4.773 -8.031 1.00 0.00 N ATOM 426 CA LYS A 26 -6.968 4.484 -9.213 1.00 0.00 C ATOM 427 C LYS A 26 -6.081 4.247 -10.431 1.00 0.00 C ATOM 428 O LYS A 26 -4.963 4.759 -10.504 1.00 0.00 O ATOM 429 CB LYS A 26 -7.936 5.637 -9.491 1.00 0.00 C ATOM 430 CG LYS A 26 -8.635 6.158 -8.247 1.00 0.00 C ATOM 431 CD LYS A 26 -9.556 5.110 -7.644 1.00 0.00 C ATOM 432 CE LYS A 26 -10.968 5.226 -8.198 1.00 0.00 C ATOM 433 NZ LYS A 26 -11.992 4.840 -7.188 1.00 0.00 N ATOM 0 H LYS A 26 -5.629 5.640 -8.086 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.539 3.576 -9.019 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.389 6.455 -9.959 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.687 5.305 -10.207 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.891 6.458 -7.509 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.211 7.049 -8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.163 4.115 -7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.578 5.224 -6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.147 6.250 -8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.067 4.590 -9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.737 4.278 -7.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.544 4.275 -6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.411 5.697 -6.773 1.00 0.00 H new ATOM 447 N ILE A 27 -6.586 3.471 -11.383 1.00 0.00 N ATOM 448 CA ILE A 27 -5.839 3.169 -12.598 1.00 0.00 C ATOM 449 C ILE A 27 -5.524 4.440 -13.380 1.00 0.00 C ATOM 450 O ILE A 27 -4.431 4.591 -13.925 1.00 0.00 O ATOM 451 CB ILE A 27 -6.614 2.198 -13.509 1.00 0.00 C ATOM 452 CG1 ILE A 27 -6.906 0.892 -12.767 1.00 0.00 C ATOM 453 CG2 ILE A 27 -5.828 1.925 -14.782 1.00 0.00 C ATOM 454 CD1 ILE A 27 -5.665 0.201 -12.248 1.00 0.00 C ATOM 0 H ILE A 27 -7.509 3.040 -11.337 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.907 2.697 -12.286 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.563 2.659 -13.783 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.573 1.100 -11.930 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -7.436 0.214 -13.436 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.389 1.237 -15.415 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.666 2.861 -15.317 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.866 1.481 -14.527 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.948 -0.717 -11.733 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.006 -0.039 -13.083 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.145 0.861 -11.553 1.00 0.00 H new ATOM 466 N SER A 28 -6.489 5.352 -13.428 1.00 0.00 N ATOM 467 CA SER A 28 -6.317 6.611 -14.145 1.00 0.00 C ATOM 468 C SER A 28 -5.036 7.314 -13.707 1.00 0.00 C ATOM 469 O SER A 28 -4.192 7.660 -14.533 1.00 0.00 O ATOM 470 CB SER A 28 -7.520 7.525 -13.910 1.00 0.00 C ATOM 471 OG SER A 28 -7.131 8.888 -13.899 1.00 0.00 O ATOM 0 H SER A 28 -7.398 5.243 -12.979 1.00 0.00 H new ATOM 0 HA SER A 28 -6.243 6.388 -15.209 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.263 7.362 -14.691 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.994 7.271 -12.962 1.00 0.00 H new ATOM 0 HG SER A 28 -7.046 9.196 -12.973 1.00 0.00 H new ATOM 477 N GLU A 29 -4.899 7.521 -12.401 1.00 0.00 N ATOM 478 CA GLU A 29 -3.721 8.184 -11.853 1.00 0.00 C ATOM 479 C GLU A 29 -2.460 7.371 -12.132 1.00 0.00 C ATOM 480 O GLU A 29 -1.373 7.927 -12.294 1.00 0.00 O ATOM 481 CB GLU A 29 -3.882 8.394 -10.345 1.00 0.00 C ATOM 482 CG GLU A 29 -5.226 8.983 -9.953 1.00 0.00 C ATOM 483 CD GLU A 29 -5.570 10.231 -10.744 1.00 0.00 C ATOM 484 OE1 GLU A 29 -4.654 11.037 -11.008 1.00 0.00 O ATOM 485 OE2 GLU A 29 -6.755 10.400 -11.099 1.00 0.00 O ATOM 0 H GLU A 29 -5.588 7.240 -11.704 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.622 9.154 -12.340 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.752 7.438 -9.838 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.089 9.053 -9.992 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.004 8.235 -10.105 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.217 9.222 -8.890 1.00 0.00 H new ATOM 492 N LEU A 30 -2.613 6.053 -12.187 1.00 0.00 N ATOM 493 CA LEU A 30 -1.487 5.162 -12.447 1.00 0.00 C ATOM 494 C LEU A 30 -0.980 5.327 -13.876 1.00 0.00 C ATOM 495 O LEU A 30 0.215 5.519 -14.104 1.00 0.00 O ATOM 496 CB LEU A 30 -1.895 3.708 -12.203 1.00 0.00 C ATOM 497 CG LEU A 30 -0.750 2.716 -11.997 1.00 0.00 C ATOM 498 CD1 LEU A 30 0.014 2.506 -13.295 1.00 0.00 C ATOM 499 CD2 LEU A 30 0.184 3.199 -10.898 1.00 0.00 C ATOM 0 H LEU A 30 -3.505 5.577 -12.055 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.681 5.427 -11.763 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.540 3.675 -11.325 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.492 3.372 -13.051 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.174 1.760 -11.690 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.825 1.797 -13.129 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.661 2.113 -14.055 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.427 3.457 -13.632 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.993 2.480 -10.766 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.601 4.167 -11.174 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.371 3.296 -9.965 1.00 0.00 H new ATOM 511 N LEU A 31 -1.896 5.254 -14.835 1.00 0.00 N ATOM 512 CA LEU A 31 -1.543 5.397 -16.243 1.00 0.00 C ATOM 513 C LEU A 31 -0.710 6.655 -16.470 1.00 0.00 C ATOM 514 O LEU A 31 0.346 6.605 -17.100 1.00 0.00 O ATOM 515 CB LEU A 31 -2.806 5.447 -17.104 1.00 0.00 C ATOM 516 CG LEU A 31 -3.641 4.166 -17.145 1.00 0.00 C ATOM 517 CD1 LEU A 31 -5.123 4.498 -17.229 1.00 0.00 C ATOM 518 CD2 LEU A 31 -3.220 3.294 -18.319 1.00 0.00 C ATOM 0 H LEU A 31 -2.889 5.097 -14.663 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.948 4.531 -16.532 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.438 6.257 -16.740 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.517 5.701 -18.124 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.466 3.610 -16.224 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.702 3.575 -17.257 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.415 5.083 -16.357 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.316 5.075 -18.133 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.824 2.387 -18.333 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.366 3.842 -19.250 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.168 3.028 -18.216 1.00 0.00 H new ATOM 530 N GLU A 32 -1.191 7.780 -15.950 1.00 0.00 N ATOM 531 CA GLU A 32 -0.489 9.049 -16.095 1.00 0.00 C ATOM 532 C GLU A 32 0.851 9.017 -15.366 1.00 0.00 C ATOM 533 O GLU A 32 1.803 9.687 -15.765 1.00 0.00 O ATOM 534 CB GLU A 32 -1.347 10.196 -15.557 1.00 0.00 C ATOM 535 CG GLU A 32 -2.437 10.644 -16.517 1.00 0.00 C ATOM 536 CD GLU A 32 -1.897 10.994 -17.890 1.00 0.00 C ATOM 537 OE1 GLU A 32 -0.737 11.449 -17.972 1.00 0.00 O ATOM 538 OE2 GLU A 32 -2.634 10.815 -18.881 1.00 0.00 O ATOM 0 H GLU A 32 -2.064 7.838 -15.425 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.301 9.211 -17.156 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.806 9.886 -14.619 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.702 11.045 -15.331 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.179 9.851 -16.614 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.949 11.511 -16.100 1.00 0.00 H new ATOM 545 N ARG A 33 0.916 8.232 -14.295 1.00 0.00 N ATOM 546 CA ARG A 33 2.138 8.113 -13.509 1.00 0.00 C ATOM 547 C ARG A 33 3.202 7.329 -14.273 1.00 0.00 C ATOM 548 O ARG A 33 4.398 7.585 -14.131 1.00 0.00 O ATOM 549 CB ARG A 33 1.845 7.427 -12.173 1.00 0.00 C ATOM 550 CG ARG A 33 1.450 8.392 -11.067 1.00 0.00 C ATOM 551 CD ARG A 33 2.640 8.756 -10.193 1.00 0.00 C ATOM 552 NE ARG A 33 3.345 9.934 -10.691 1.00 0.00 N ATOM 553 CZ ARG A 33 4.331 10.533 -10.033 1.00 0.00 C ATOM 554 NH1 ARG A 33 4.726 10.067 -8.856 1.00 0.00 N ATOM 555 NH2 ARG A 33 4.924 11.601 -10.551 1.00 0.00 N ATOM 0 H ARG A 33 0.137 7.670 -13.952 1.00 0.00 H new ATOM 0 HA ARG A 33 2.518 9.117 -13.319 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.043 6.702 -12.315 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.727 6.869 -11.859 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.029 9.297 -11.505 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.670 7.943 -10.452 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.298 8.942 -9.175 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.329 7.913 -10.149 1.00 0.00 H new ATOM 0 HE ARG A 33 3.065 10.318 -11.594 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.272 9.247 -8.454 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.483 10.529 -8.353 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.623 11.963 -11.456 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.681 12.060 -10.044 1.00 0.00 H new ATOM 569 N LEU A 34 2.758 6.373 -15.081 1.00 0.00 N ATOM 570 CA LEU A 34 3.671 5.550 -15.867 1.00 0.00 C ATOM 571 C LEU A 34 4.324 6.369 -16.976 1.00 0.00 C ATOM 572 O LEU A 34 5.548 6.384 -17.113 1.00 0.00 O ATOM 573 CB LEU A 34 2.925 4.359 -16.470 1.00 0.00 C ATOM 574 CG LEU A 34 2.297 3.386 -15.472 1.00 0.00 C ATOM 575 CD1 LEU A 34 1.814 2.130 -16.181 1.00 0.00 C ATOM 576 CD2 LEU A 34 3.290 3.031 -14.375 1.00 0.00 C ATOM 0 H LEU A 34 1.771 6.148 -15.209 1.00 0.00 H new ATOM 0 HA LEU A 34 4.453 5.183 -15.202 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.137 4.740 -17.120 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.618 3.803 -17.102 1.00 0.00 H new ATOM 0 HG LEU A 34 1.437 3.873 -15.013 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.370 1.450 -15.454 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.068 2.399 -16.929 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.657 1.640 -16.669 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.825 2.338 -13.674 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.170 2.564 -14.818 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.587 3.937 -13.846 1.00 0.00 H new ATOM 588 N LYS A 35 3.500 7.052 -17.763 1.00 0.00 N ATOM 589 CA LYS A 35 3.997 7.878 -18.858 1.00 0.00 C ATOM 590 C LYS A 35 4.983 8.923 -18.347 1.00 0.00 C ATOM 591 O LYS A 35 5.995 9.202 -18.990 1.00 0.00 O ATOM 592 CB LYS A 35 2.832 8.566 -19.573 1.00 0.00 C ATOM 593 CG LYS A 35 1.763 7.604 -20.061 1.00 0.00 C ATOM 594 CD LYS A 35 0.441 8.313 -20.302 1.00 0.00 C ATOM 595 CE LYS A 35 0.441 9.057 -21.628 1.00 0.00 C ATOM 596 NZ LYS A 35 0.086 8.164 -22.765 1.00 0.00 N ATOM 0 H LYS A 35 2.485 7.050 -17.663 1.00 0.00 H new ATOM 0 HA LYS A 35 4.516 7.229 -19.563 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.377 9.288 -18.895 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.219 9.127 -20.423 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.095 7.128 -20.984 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.623 6.811 -19.326 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.370 7.585 -20.292 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.250 9.015 -19.490 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.268 9.884 -21.581 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.426 9.491 -21.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.097 8.709 -23.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.777 7.389 -22.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.864 7.770 -22.613 1.00 0.00 H new ATOM 610 N VAL A 36 4.682 9.498 -17.187 1.00 0.00 N ATOM 611 CA VAL A 36 5.543 10.511 -16.589 1.00 0.00 C ATOM 612 C VAL A 36 6.794 9.881 -15.986 1.00 0.00 C ATOM 613 O VAL A 36 7.915 10.246 -16.338 1.00 0.00 O ATOM 614 CB VAL A 36 4.802 11.303 -15.496 1.00 0.00 C ATOM 615 CG1 VAL A 36 5.726 12.333 -14.863 1.00 0.00 C ATOM 616 CG2 VAL A 36 3.561 11.970 -16.071 1.00 0.00 C ATOM 0 H VAL A 36 3.848 9.279 -16.642 1.00 0.00 H new ATOM 0 HA VAL A 36 5.832 11.194 -17.388 1.00 0.00 H new ATOM 0 HB VAL A 36 4.486 10.607 -14.718 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.185 12.883 -14.093 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.581 11.828 -14.415 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.075 13.027 -15.627 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.049 12.525 -15.285 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.852 12.654 -16.868 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.892 11.209 -16.472 1.00 0.00 H new ATOM 626 N GLU A 37 6.593 8.934 -15.075 1.00 0.00 N ATOM 627 CA GLU A 37 7.705 8.254 -14.422 1.00 0.00 C ATOM 628 C GLU A 37 8.689 7.708 -15.453 1.00 0.00 C ATOM 629 O GLU A 37 9.895 7.938 -15.358 1.00 0.00 O ATOM 630 CB GLU A 37 7.189 7.116 -13.540 1.00 0.00 C ATOM 631 CG GLU A 37 8.275 6.446 -12.714 1.00 0.00 C ATOM 632 CD GLU A 37 8.549 7.172 -11.411 1.00 0.00 C ATOM 633 OE1 GLU A 37 7.639 7.224 -10.557 1.00 0.00 O ATOM 634 OE2 GLU A 37 9.674 7.689 -11.247 1.00 0.00 O ATOM 0 H GLU A 37 5.671 8.621 -14.773 1.00 0.00 H new ATOM 0 HA GLU A 37 8.225 8.980 -13.797 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.423 7.506 -12.870 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.710 6.367 -14.171 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.980 5.419 -12.498 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.194 6.398 -13.299 1.00 0.00 H new ATOM 641 N TYR A 38 8.166 6.984 -16.435 1.00 0.00 N ATOM 642 CA TYR A 38 8.997 6.402 -17.482 1.00 0.00 C ATOM 643 C TYR A 38 9.425 7.463 -18.491 1.00 0.00 C ATOM 644 O TYR A 38 10.456 7.331 -19.149 1.00 0.00 O ATOM 645 CB TYR A 38 8.243 5.278 -18.196 1.00 0.00 C ATOM 646 CG TYR A 38 7.683 4.233 -17.257 1.00 0.00 C ATOM 647 CD1 TYR A 38 8.399 3.820 -16.140 1.00 0.00 C ATOM 648 CD2 TYR A 38 6.440 3.658 -17.488 1.00 0.00 C ATOM 649 CE1 TYR A 38 7.892 2.865 -15.280 1.00 0.00 C ATOM 650 CE2 TYR A 38 5.924 2.704 -16.632 1.00 0.00 C ATOM 651 CZ TYR A 38 6.654 2.310 -15.530 1.00 0.00 C ATOM 652 OH TYR A 38 6.145 1.359 -14.677 1.00 0.00 O ATOM 0 H TYR A 38 7.170 6.786 -16.528 1.00 0.00 H new ATOM 0 HA TYR A 38 9.891 5.990 -17.014 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.426 5.710 -18.774 1.00 0.00 H new ATOM 0 HB3 TYR A 38 8.915 4.795 -18.905 1.00 0.00 H new ATOM 0 HD1 TYR A 38 9.368 4.253 -15.941 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.867 3.962 -18.352 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.462 2.555 -14.417 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.954 2.269 -16.825 1.00 0.00 H new ATOM 0 HH TYR A 38 6.774 0.610 -14.609 1.00 0.00 H new ATOM 662 N GLY A 39 8.624 8.518 -18.606 1.00 0.00 N ATOM 663 CA GLY A 39 8.935 9.588 -19.536 1.00 0.00 C ATOM 664 C GLY A 39 8.323 9.363 -20.905 1.00 0.00 C ATOM 665 O GLY A 39 7.446 8.515 -21.068 1.00 0.00 O ATOM 0 H GLY A 39 7.765 8.651 -18.072 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.574 10.533 -19.131 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.017 9.676 -19.635 1.00 0.00 H new ATOM 669 N SER A 40 8.785 10.126 -21.890 1.00 0.00 N ATOM 670 CA SER A 40 8.274 10.010 -23.251 1.00 0.00 C ATOM 671 C SER A 40 8.785 8.736 -23.917 1.00 0.00 C ATOM 672 O SER A 40 8.111 8.154 -24.766 1.00 0.00 O ATOM 673 CB SER A 40 8.682 11.230 -24.078 1.00 0.00 C ATOM 674 OG SER A 40 8.416 12.433 -23.378 1.00 0.00 O ATOM 0 H SER A 40 9.512 10.831 -21.771 1.00 0.00 H new ATOM 0 HA SER A 40 7.186 9.962 -23.201 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.744 11.172 -24.318 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.141 11.229 -25.024 1.00 0.00 H new ATOM 0 HG SER A 40 8.687 13.198 -23.927 1.00 0.00 H new ATOM 680 N GLU A 41 9.981 8.309 -23.524 1.00 0.00 N ATOM 681 CA GLU A 41 10.583 7.105 -24.083 1.00 0.00 C ATOM 682 C GLU A 41 9.600 5.938 -24.048 1.00 0.00 C ATOM 683 O GLU A 41 9.548 5.127 -24.972 1.00 0.00 O ATOM 684 CB GLU A 41 11.854 6.739 -23.313 1.00 0.00 C ATOM 685 CG GLU A 41 12.667 5.636 -23.970 1.00 0.00 C ATOM 686 CD GLU A 41 14.158 5.796 -23.742 1.00 0.00 C ATOM 687 OE1 GLU A 41 14.743 6.753 -24.290 1.00 0.00 O ATOM 688 OE2 GLU A 41 14.738 4.963 -23.015 1.00 0.00 O ATOM 0 H GLU A 41 10.552 8.779 -22.821 1.00 0.00 H new ATOM 0 HA GLU A 41 10.842 7.308 -25.122 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.477 7.628 -23.213 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.581 6.426 -22.305 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.345 4.671 -23.580 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.466 5.630 -25.041 1.00 0.00 H new ATOM 695 N PHE A 42 8.822 5.860 -22.973 1.00 0.00 N ATOM 696 CA PHE A 42 7.841 4.793 -22.815 1.00 0.00 C ATOM 697 C PHE A 42 6.625 5.036 -23.704 1.00 0.00 C ATOM 698 O PHE A 42 6.032 4.097 -24.236 1.00 0.00 O ATOM 699 CB PHE A 42 7.405 4.684 -21.353 1.00 0.00 C ATOM 700 CG PHE A 42 6.235 3.766 -21.143 1.00 0.00 C ATOM 701 CD1 PHE A 42 6.372 2.398 -21.315 1.00 0.00 C ATOM 702 CD2 PHE A 42 4.999 4.270 -20.773 1.00 0.00 C ATOM 703 CE1 PHE A 42 5.298 1.550 -21.122 1.00 0.00 C ATOM 704 CE2 PHE A 42 3.921 3.427 -20.579 1.00 0.00 C ATOM 705 CZ PHE A 42 4.071 2.065 -20.754 1.00 0.00 C ATOM 0 H PHE A 42 8.852 6.523 -22.199 1.00 0.00 H new ATOM 0 HA PHE A 42 8.309 3.856 -23.118 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.246 4.330 -20.757 1.00 0.00 H new ATOM 0 HB3 PHE A 42 7.148 5.677 -20.984 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.329 1.990 -21.603 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.876 5.334 -20.634 1.00 0.00 H new ATOM 0 HE1 PHE A 42 5.418 0.485 -21.259 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.962 3.833 -20.291 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.230 1.404 -20.603 1.00 0.00 H new ATOM 715 N THR A 43 6.257 6.304 -23.860 1.00 0.00 N ATOM 716 CA THR A 43 5.111 6.672 -24.682 1.00 0.00 C ATOM 717 C THR A 43 5.352 6.328 -26.147 1.00 0.00 C ATOM 718 O THR A 43 4.499 5.732 -26.804 1.00 0.00 O ATOM 719 CB THR A 43 4.795 8.175 -24.564 1.00 0.00 C ATOM 720 OG1 THR A 43 4.958 8.606 -23.208 1.00 0.00 O ATOM 721 CG2 THR A 43 3.377 8.468 -25.028 1.00 0.00 C ATOM 0 H THR A 43 6.736 7.094 -23.428 1.00 0.00 H new ATOM 0 HA THR A 43 4.260 6.099 -24.313 1.00 0.00 H new ATOM 0 HB THR A 43 5.489 8.720 -25.203 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.757 9.563 -23.142 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.177 9.536 -24.935 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.266 8.167 -26.070 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.670 7.912 -24.412 1.00 0.00 H new ATOM 729 N LYS A 44 6.521 6.706 -26.654 1.00 0.00 N ATOM 730 CA LYS A 44 6.876 6.436 -28.042 1.00 0.00 C ATOM 731 C LYS A 44 7.185 4.956 -28.247 1.00 0.00 C ATOM 732 O LYS A 44 7.030 4.428 -29.347 1.00 0.00 O ATOM 733 CB LYS A 44 8.083 7.282 -28.455 1.00 0.00 C ATOM 734 CG LYS A 44 9.355 6.935 -27.701 1.00 0.00 C ATOM 735 CD LYS A 44 10.199 5.929 -28.464 1.00 0.00 C ATOM 736 CE LYS A 44 11.178 6.619 -29.402 1.00 0.00 C ATOM 737 NZ LYS A 44 10.510 7.104 -30.642 1.00 0.00 N ATOM 0 H LYS A 44 7.239 7.200 -26.124 1.00 0.00 H new ATOM 0 HA LYS A 44 6.023 6.701 -28.667 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.257 7.154 -29.523 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.851 8.335 -28.294 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.935 7.841 -27.528 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.099 6.529 -26.722 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.748 5.304 -27.759 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.549 5.268 -29.037 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.643 7.460 -28.887 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.977 5.926 -29.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.198 7.124 -31.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.727 6.465 -30.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.138 8.062 -30.484 1.00 0.00 H new ATOM 751 N GLN A 45 7.621 4.295 -27.180 1.00 0.00 N ATOM 752 CA GLN A 45 7.950 2.876 -27.243 1.00 0.00 C ATOM 753 C GLN A 45 6.686 2.022 -27.235 1.00 0.00 C ATOM 754 O GLN A 45 6.704 0.866 -27.654 1.00 0.00 O ATOM 755 CB GLN A 45 8.851 2.486 -26.070 1.00 0.00 C ATOM 756 CG GLN A 45 10.331 2.705 -26.340 1.00 0.00 C ATOM 757 CD GLN A 45 10.840 1.876 -27.503 1.00 0.00 C ATOM 758 OE1 GLN A 45 10.251 0.854 -27.857 1.00 0.00 O ATOM 759 NE2 GLN A 45 11.940 2.313 -28.104 1.00 0.00 N ATOM 0 H GLN A 45 7.755 4.719 -26.262 1.00 0.00 H new ATOM 0 HA GLN A 45 8.483 2.695 -28.177 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.561 3.064 -25.192 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.686 1.436 -25.829 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.507 3.761 -26.547 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.901 2.456 -25.445 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.395 3.165 -27.777 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.330 1.797 -28.893 1.00 0.00 H new ATOM 768 N MET A 46 5.591 2.601 -26.753 1.00 0.00 N ATOM 769 CA MET A 46 4.318 1.893 -26.691 1.00 0.00 C ATOM 770 C MET A 46 3.395 2.333 -27.823 1.00 0.00 C ATOM 771 O MET A 46 2.610 1.538 -28.341 1.00 0.00 O ATOM 772 CB MET A 46 3.640 2.137 -25.341 1.00 0.00 C ATOM 773 CG MET A 46 4.029 1.127 -24.274 1.00 0.00 C ATOM 774 SD MET A 46 3.043 -0.381 -24.351 1.00 0.00 S ATOM 775 CE MET A 46 4.171 -1.479 -25.205 1.00 0.00 C ATOM 0 H MET A 46 5.560 3.557 -26.400 1.00 0.00 H new ATOM 0 HA MET A 46 4.518 0.827 -26.802 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.894 3.138 -24.992 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.559 2.111 -25.477 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.083 0.873 -24.387 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.914 1.582 -23.290 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.603 -2.237 -25.744 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.772 -0.906 -25.911 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.826 -1.963 -24.481 1.00 0.00 H new ATOM 785 N TYR A 47 3.495 3.602 -28.203 1.00 0.00 N ATOM 786 CA TYR A 47 2.667 4.147 -29.272 1.00 0.00 C ATOM 787 C TYR A 47 3.037 3.529 -30.617 1.00 0.00 C ATOM 788 O TYR A 47 4.060 3.872 -31.210 1.00 0.00 O ATOM 789 CB TYR A 47 2.819 5.668 -29.338 1.00 0.00 C ATOM 790 CG TYR A 47 1.790 6.415 -28.520 1.00 0.00 C ATOM 791 CD1 TYR A 47 1.620 6.146 -27.168 1.00 0.00 C ATOM 792 CD2 TYR A 47 0.988 7.390 -29.100 1.00 0.00 C ATOM 793 CE1 TYR A 47 0.681 6.826 -26.417 1.00 0.00 C ATOM 794 CE2 TYR A 47 0.047 8.076 -28.356 1.00 0.00 C ATOM 795 CZ TYR A 47 -0.103 7.790 -27.015 1.00 0.00 C ATOM 796 OH TYR A 47 -1.040 8.470 -26.272 1.00 0.00 O ATOM 0 H TYR A 47 4.141 4.272 -27.787 1.00 0.00 H new ATOM 0 HA TYR A 47 1.628 3.901 -29.053 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.815 5.941 -28.990 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.746 5.987 -30.378 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.233 5.392 -26.696 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.102 7.616 -30.150 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.561 6.604 -25.367 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.568 8.832 -28.822 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.506 9.115 -26.844 1.00 0.00 H new ATOM 806 N ASP A 48 2.197 2.616 -31.091 1.00 0.00 N ATOM 807 CA ASP A 48 2.434 1.950 -32.367 1.00 0.00 C ATOM 808 C ASP A 48 1.298 2.231 -33.346 1.00 0.00 C ATOM 809 O ASP A 48 0.314 1.495 -33.399 1.00 0.00 O ATOM 810 CB ASP A 48 2.582 0.442 -32.159 1.00 0.00 C ATOM 811 CG ASP A 48 3.157 -0.257 -33.376 1.00 0.00 C ATOM 812 OD1 ASP A 48 2.742 0.080 -34.504 1.00 0.00 O ATOM 813 OD2 ASP A 48 4.022 -1.141 -33.200 1.00 0.00 O ATOM 0 H ASP A 48 1.347 2.320 -30.612 1.00 0.00 H new ATOM 0 HA ASP A 48 3.359 2.344 -32.788 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.227 0.258 -31.300 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.608 0.013 -31.924 1.00 0.00 H new ATOM 818 N GLY A 49 1.441 3.303 -34.119 1.00 0.00 N ATOM 819 CA GLY A 49 0.419 3.664 -35.084 1.00 0.00 C ATOM 820 C GLY A 49 -0.176 5.032 -34.815 1.00 0.00 C ATOM 821 O GLY A 49 0.417 6.053 -35.161 1.00 0.00 O ATOM 0 H GLY A 49 2.247 3.928 -34.094 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.848 3.649 -36.086 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.374 2.916 -35.065 1.00 0.00 H new ATOM 825 N ASN A 50 -1.352 5.052 -34.197 1.00 0.00 N ATOM 826 CA ASN A 50 -2.029 6.306 -33.884 1.00 0.00 C ATOM 827 C ASN A 50 -2.410 6.364 -32.408 1.00 0.00 C ATOM 828 O ASN A 50 -2.179 7.368 -31.736 1.00 0.00 O ATOM 829 CB ASN A 50 -3.279 6.465 -34.752 1.00 0.00 C ATOM 830 CG ASN A 50 -2.971 7.085 -36.101 1.00 0.00 C ATOM 831 OD1 ASN A 50 -2.960 6.399 -37.124 1.00 0.00 O ATOM 832 ND2 ASN A 50 -2.717 8.388 -36.109 1.00 0.00 N ATOM 0 H ASN A 50 -1.856 4.215 -33.903 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.341 7.125 -34.096 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -3.741 5.489 -34.901 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.006 7.085 -34.227 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.502 8.860 -36.987 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.737 8.917 -35.237 1.00 0.00 H new ATOM 839 N ASN A 51 -2.995 5.279 -31.910 1.00 0.00 N ATOM 840 CA ASN A 51 -3.409 5.206 -30.513 1.00 0.00 C ATOM 841 C ASN A 51 -2.611 4.143 -29.764 1.00 0.00 C ATOM 842 O ASN A 51 -1.986 3.275 -30.375 1.00 0.00 O ATOM 843 CB ASN A 51 -4.905 4.898 -30.418 1.00 0.00 C ATOM 844 CG ASN A 51 -5.289 3.651 -31.191 1.00 0.00 C ATOM 845 OD1 ASN A 51 -5.717 3.729 -32.342 1.00 0.00 O ATOM 846 ND2 ASN A 51 -5.136 2.494 -30.559 1.00 0.00 N ATOM 0 H ASN A 51 -3.193 4.438 -32.453 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.214 6.174 -30.051 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.182 4.773 -29.371 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.473 5.747 -30.798 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.377 1.621 -31.028 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.777 2.478 -29.604 1.00 0.00 H new ATOM 853 N LEU A 52 -2.637 4.217 -28.438 1.00 0.00 N ATOM 854 CA LEU A 52 -1.916 3.261 -27.605 1.00 0.00 C ATOM 855 C LEU A 52 -2.796 2.764 -26.462 1.00 0.00 C ATOM 856 O LEU A 52 -3.159 1.588 -26.411 1.00 0.00 O ATOM 857 CB LEU A 52 -0.645 3.900 -27.043 1.00 0.00 C ATOM 858 CG LEU A 52 0.217 3.008 -26.150 1.00 0.00 C ATOM 859 CD1 LEU A 52 -0.291 3.035 -24.717 1.00 0.00 C ATOM 860 CD2 LEU A 52 0.239 1.582 -26.683 1.00 0.00 C ATOM 0 H LEU A 52 -3.149 4.929 -27.917 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.642 2.409 -28.227 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.034 4.242 -27.879 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.929 4.785 -26.473 1.00 0.00 H new ATOM 0 HG LEU A 52 1.236 3.395 -26.159 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.335 2.394 -24.097 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.254 4.056 -24.337 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.319 2.674 -24.689 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.857 0.961 -26.035 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.776 1.186 -26.704 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.652 1.577 -27.692 1.00 0.00 H new ATOM 872 N PHE A 53 -3.137 3.666 -25.549 1.00 0.00 N ATOM 873 CA PHE A 53 -3.976 3.319 -24.407 1.00 0.00 C ATOM 874 C PHE A 53 -5.284 2.682 -24.867 1.00 0.00 C ATOM 875 O PHE A 53 -5.870 1.861 -24.161 1.00 0.00 O ATOM 876 CB PHE A 53 -4.270 4.564 -23.567 1.00 0.00 C ATOM 877 CG PHE A 53 -5.339 4.350 -22.534 1.00 0.00 C ATOM 878 CD1 PHE A 53 -5.026 3.820 -21.293 1.00 0.00 C ATOM 879 CD2 PHE A 53 -6.657 4.680 -22.804 1.00 0.00 C ATOM 880 CE1 PHE A 53 -6.008 3.623 -20.340 1.00 0.00 C ATOM 881 CE2 PHE A 53 -7.643 4.485 -21.855 1.00 0.00 C ATOM 882 CZ PHE A 53 -7.318 3.955 -20.622 1.00 0.00 C ATOM 0 H PHE A 53 -2.846 4.643 -25.577 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.435 2.596 -23.796 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.354 4.882 -23.070 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.572 5.376 -24.228 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.003 3.558 -21.067 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -6.917 5.094 -23.767 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.751 3.210 -19.376 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.667 4.747 -22.078 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.087 3.801 -19.880 1.00 0.00 H new ATOM 892 N LYS A 54 -5.736 3.066 -26.056 1.00 0.00 N ATOM 893 CA LYS A 54 -6.974 2.533 -26.613 1.00 0.00 C ATOM 894 C LYS A 54 -6.872 1.026 -26.821 1.00 0.00 C ATOM 895 O LYS A 54 -7.883 0.327 -26.870 1.00 0.00 O ATOM 896 CB LYS A 54 -7.297 3.221 -27.941 1.00 0.00 C ATOM 897 CG LYS A 54 -8.199 2.401 -28.847 1.00 0.00 C ATOM 898 CD LYS A 54 -9.573 2.198 -28.231 1.00 0.00 C ATOM 899 CE LYS A 54 -10.574 3.216 -28.755 1.00 0.00 C ATOM 900 NZ LYS A 54 -11.027 2.889 -30.136 1.00 0.00 N ATOM 0 H LYS A 54 -5.263 3.745 -26.653 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.777 2.731 -25.903 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.775 4.179 -27.737 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.366 3.434 -28.466 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.301 2.902 -29.810 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.739 1.432 -29.039 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.927 1.191 -28.452 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.503 2.280 -27.146 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.436 3.253 -28.089 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.122 4.208 -28.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.375 3.752 -30.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.230 2.500 -30.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.792 2.186 -30.093 1.00 0.00 H new ATOM 914 N ASN A 55 -5.644 0.531 -26.940 1.00 0.00 N ATOM 915 CA ASN A 55 -5.411 -0.895 -27.142 1.00 0.00 C ATOM 916 C ASN A 55 -4.696 -1.504 -25.939 1.00 0.00 C ATOM 917 O ASN A 55 -4.749 -2.714 -25.720 1.00 0.00 O ATOM 918 CB ASN A 55 -4.586 -1.123 -28.410 1.00 0.00 C ATOM 919 CG ASN A 55 -5.447 -1.193 -29.656 1.00 0.00 C ATOM 920 OD1 ASN A 55 -5.081 -0.420 -30.672 1.00 0.00 O flip ATOM 921 ND2 ASN A 55 -6.431 -1.932 -29.703 1.00 0.00 N flip ATOM 0 H ASN A 55 -4.795 1.096 -26.900 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.378 -1.385 -27.254 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.861 -0.317 -28.518 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.020 -2.049 -28.310 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.675 -2.509 -28.898 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.002 -1.967 -30.547 1.00 0.00 H new ATOM 928 N VAL A 56 -4.029 -0.657 -25.162 1.00 0.00 N ATOM 929 CA VAL A 56 -3.305 -1.111 -23.981 1.00 0.00 C ATOM 930 C VAL A 56 -4.173 -2.022 -23.121 1.00 0.00 C ATOM 931 O VAL A 56 -5.383 -1.821 -23.011 1.00 0.00 O ATOM 932 CB VAL A 56 -2.824 0.077 -23.127 1.00 0.00 C ATOM 933 CG1 VAL A 56 -3.954 0.600 -22.253 1.00 0.00 C ATOM 934 CG2 VAL A 56 -1.627 -0.327 -22.279 1.00 0.00 C ATOM 0 H VAL A 56 -3.975 0.348 -25.329 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.438 -1.669 -24.336 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.513 0.880 -23.796 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.595 1.439 -21.657 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.779 0.930 -22.884 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.299 -0.194 -21.591 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.300 0.524 -21.682 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.909 -1.147 -21.618 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.813 -0.649 -22.929 1.00 0.00 H new ATOM 944 N ILE A 57 -3.548 -3.024 -22.513 1.00 0.00 N ATOM 945 CA ILE A 57 -4.263 -3.966 -21.661 1.00 0.00 C ATOM 946 C ILE A 57 -3.635 -4.039 -20.274 1.00 0.00 C ATOM 947 O ILE A 57 -2.511 -4.518 -20.115 1.00 0.00 O ATOM 948 CB ILE A 57 -4.286 -5.377 -22.277 1.00 0.00 C ATOM 949 CG1 ILE A 57 -4.899 -6.377 -21.294 1.00 0.00 C ATOM 950 CG2 ILE A 57 -2.881 -5.806 -22.671 1.00 0.00 C ATOM 951 CD1 ILE A 57 -5.543 -7.569 -21.966 1.00 0.00 C ATOM 0 H ILE A 57 -2.547 -3.205 -22.595 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.286 -3.600 -21.575 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.903 -5.355 -23.175 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.122 -6.729 -20.615 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.646 -5.866 -20.687 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.914 -6.805 -23.105 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.479 -5.106 -23.403 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.242 -5.815 -21.788 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.956 -8.235 -21.208 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.342 -7.228 -22.624 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.795 -8.105 -22.551 1.00 0.00 H new ATOM 963 N ILE A 58 -4.368 -3.564 -19.272 1.00 0.00 N ATOM 964 CA ILE A 58 -3.883 -3.578 -17.898 1.00 0.00 C ATOM 965 C ILE A 58 -4.828 -4.358 -16.990 1.00 0.00 C ATOM 966 O ILE A 58 -6.046 -4.181 -17.044 1.00 0.00 O ATOM 967 CB ILE A 58 -3.719 -2.151 -17.344 1.00 0.00 C ATOM 968 CG1 ILE A 58 -4.972 -1.322 -17.629 1.00 0.00 C ATOM 969 CG2 ILE A 58 -2.489 -1.487 -17.946 1.00 0.00 C ATOM 970 CD1 ILE A 58 -4.931 -0.603 -18.960 1.00 0.00 C ATOM 0 H ILE A 58 -5.300 -3.165 -19.387 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.909 -4.067 -17.912 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.584 -2.210 -16.264 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.844 -1.976 -17.605 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.102 -0.589 -16.833 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.387 -0.479 -17.545 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.602 -2.069 -17.696 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.596 -1.437 -19.030 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.852 -0.035 -19.095 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.079 0.077 -18.980 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.833 -1.332 -19.764 1.00 0.00 H new ATOM 982 N LEU A 59 -4.260 -5.221 -16.155 1.00 0.00 N ATOM 983 CA LEU A 59 -5.051 -6.028 -15.232 1.00 0.00 C ATOM 984 C LEU A 59 -4.961 -5.477 -13.813 1.00 0.00 C ATOM 985 O LEU A 59 -3.872 -5.347 -13.254 1.00 0.00 O ATOM 986 CB LEU A 59 -4.576 -7.482 -15.259 1.00 0.00 C ATOM 987 CG LEU A 59 -4.808 -8.240 -16.566 1.00 0.00 C ATOM 988 CD1 LEU A 59 -3.687 -9.238 -16.811 1.00 0.00 C ATOM 989 CD2 LEU A 59 -6.156 -8.945 -16.542 1.00 0.00 C ATOM 0 H LEU A 59 -3.254 -5.380 -16.098 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.092 -5.987 -15.552 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.509 -7.499 -15.037 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.077 -8.022 -14.455 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.811 -7.520 -17.385 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.870 -9.768 -17.746 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.736 -8.709 -16.874 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.651 -9.953 -15.989 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.304 -9.479 -17.480 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.182 -9.653 -15.713 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.950 -8.209 -16.415 1.00 0.00 H new ATOM 1001 N VAL A 60 -6.114 -5.158 -13.233 1.00 0.00 N ATOM 1002 CA VAL A 60 -6.166 -4.624 -11.877 1.00 0.00 C ATOM 1003 C VAL A 60 -6.509 -5.717 -10.870 1.00 0.00 C ATOM 1004 O VAL A 60 -7.476 -6.456 -11.047 1.00 0.00 O ATOM 1005 CB VAL A 60 -7.201 -3.490 -11.760 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -8.602 -4.014 -12.036 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -7.127 -2.842 -10.386 1.00 0.00 C ATOM 0 H VAL A 60 -7.025 -5.260 -13.681 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.176 -4.226 -11.654 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.969 -2.732 -12.508 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.319 -3.198 -11.949 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.644 -4.428 -13.044 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.848 -4.792 -11.314 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.865 -2.043 -10.320 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.332 -3.589 -9.620 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.130 -2.429 -10.232 1.00 0.00 H new ATOM 1017 N ASN A 61 -5.709 -5.811 -9.813 1.00 0.00 N ATOM 1018 CA ASN A 61 -5.928 -6.813 -8.777 1.00 0.00 C ATOM 1019 C ASN A 61 -6.326 -8.152 -9.390 1.00 0.00 C ATOM 1020 O ASN A 61 -7.190 -8.854 -8.867 1.00 0.00 O ATOM 1021 CB ASN A 61 -7.011 -6.343 -7.804 1.00 0.00 C ATOM 1022 CG ASN A 61 -8.344 -6.113 -8.490 1.00 0.00 C ATOM 1023 OD1 ASN A 61 -8.688 -4.848 -8.704 1.00 0.00 O flip ATOM 1024 ND2 ASN A 61 -9.055 -7.061 -8.823 1.00 0.00 N flip ATOM 0 H ASN A 61 -4.904 -5.206 -9.652 1.00 0.00 H new ATOM 0 HA ASN A 61 -4.993 -6.946 -8.233 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.134 -7.086 -7.016 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.688 -5.419 -7.324 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.750 -8.017 -8.638 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.949 -6.891 -9.284 1.00 0.00 H new ATOM 1031 N GLY A 62 -5.688 -8.500 -10.503 1.00 0.00 N ATOM 1032 CA GLY A 62 -5.988 -9.754 -11.170 1.00 0.00 C ATOM 1033 C GLY A 62 -7.350 -9.745 -11.835 1.00 0.00 C ATOM 1034 O GLY A 62 -8.224 -10.536 -11.484 1.00 0.00 O ATOM 0 H GLY A 62 -4.968 -7.936 -10.955 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.223 -9.956 -11.919 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.946 -10.567 -10.445 1.00 0.00 H new ATOM 1038 N ASN A 63 -7.530 -8.847 -12.798 1.00 0.00 N ATOM 1039 CA ASN A 63 -8.797 -8.737 -13.513 1.00 0.00 C ATOM 1040 C ASN A 63 -8.730 -7.641 -14.572 1.00 0.00 C ATOM 1041 O ASN A 63 -8.210 -6.554 -14.322 1.00 0.00 O ATOM 1042 CB ASN A 63 -9.936 -8.448 -12.533 1.00 0.00 C ATOM 1043 CG ASN A 63 -11.184 -7.943 -13.231 1.00 0.00 C ATOM 1044 OD1 ASN A 63 -11.601 -6.802 -13.032 1.00 0.00 O ATOM 1045 ND2 ASN A 63 -11.787 -8.793 -14.053 1.00 0.00 N ATOM 0 H ASN A 63 -6.815 -8.185 -13.101 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.989 -9.687 -14.011 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.175 -9.356 -11.979 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.606 -7.708 -11.804 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.631 -8.510 -14.550 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.406 -9.729 -14.188 1.00 0.00 H new ATOM 1052 N ASN A 64 -9.262 -7.934 -15.754 1.00 0.00 N ATOM 1053 CA ASN A 64 -9.263 -6.974 -16.851 1.00 0.00 C ATOM 1054 C ASN A 64 -10.234 -5.830 -16.572 1.00 0.00 C ATOM 1055 O ASN A 64 -11.409 -6.058 -16.281 1.00 0.00 O ATOM 1056 CB ASN A 64 -9.637 -7.666 -18.163 1.00 0.00 C ATOM 1057 CG ASN A 64 -8.531 -7.582 -19.197 1.00 0.00 C ATOM 1058 OD1 ASN A 64 -7.772 -8.532 -19.390 1.00 0.00 O ATOM 1059 ND2 ASN A 64 -8.436 -6.440 -19.869 1.00 0.00 N ATOM 0 H ASN A 64 -9.698 -8.829 -15.976 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.258 -6.561 -16.940 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.867 -8.713 -17.966 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.542 -7.211 -18.565 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.712 -6.324 -20.578 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.087 -5.679 -19.676 1.00 0.00 H new ATOM 1066 N ILE A 65 -9.735 -4.602 -16.663 1.00 0.00 N ATOM 1067 CA ILE A 65 -10.559 -3.424 -16.422 1.00 0.00 C ATOM 1068 C ILE A 65 -11.483 -3.149 -17.603 1.00 0.00 C ATOM 1069 O ILE A 65 -12.579 -2.610 -17.437 1.00 0.00 O ATOM 1070 CB ILE A 65 -9.694 -2.177 -16.160 1.00 0.00 C ATOM 1071 CG1 ILE A 65 -8.923 -1.789 -17.423 1.00 0.00 C ATOM 1072 CG2 ILE A 65 -8.737 -2.429 -15.005 1.00 0.00 C ATOM 1073 CD1 ILE A 65 -8.066 -0.554 -17.253 1.00 0.00 C ATOM 0 H ILE A 65 -8.765 -4.397 -16.902 1.00 0.00 H new ATOM 0 HA ILE A 65 -11.158 -3.633 -15.536 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.349 -1.349 -15.889 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -8.288 -2.623 -17.722 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -9.632 -1.621 -18.234 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.133 -1.538 -14.832 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.306 -2.661 -14.105 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.085 -3.268 -15.249 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.549 -0.339 -18.188 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -8.697 0.293 -16.984 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.333 -0.725 -16.464 1.00 0.00 H new ATOM 1085 N THR A 66 -11.036 -3.523 -18.798 1.00 0.00 N ATOM 1086 CA THR A 66 -11.823 -3.318 -20.007 1.00 0.00 C ATOM 1087 C THR A 66 -13.213 -3.929 -19.870 1.00 0.00 C ATOM 1088 O THR A 66 -14.165 -3.480 -20.507 1.00 0.00 O ATOM 1089 CB THR A 66 -11.127 -3.925 -21.240 1.00 0.00 C ATOM 1090 OG1 THR A 66 -11.135 -5.354 -21.153 1.00 0.00 O ATOM 1091 CG2 THR A 66 -9.695 -3.427 -21.353 1.00 0.00 C ATOM 0 H THR A 66 -10.132 -3.970 -18.954 1.00 0.00 H new ATOM 0 HA THR A 66 -11.915 -2.241 -20.144 1.00 0.00 H new ATOM 0 HB THR A 66 -11.675 -3.612 -22.129 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.692 -5.732 -21.941 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.224 -3.869 -22.231 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.694 -2.341 -21.449 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.139 -3.713 -20.460 1.00 0.00 H new ATOM 1099 N SER A 67 -13.322 -4.956 -19.033 1.00 0.00 N ATOM 1100 CA SER A 67 -14.596 -5.631 -18.814 1.00 0.00 C ATOM 1101 C SER A 67 -15.251 -5.150 -17.522 1.00 0.00 C ATOM 1102 O SER A 67 -15.936 -5.911 -16.840 1.00 0.00 O ATOM 1103 CB SER A 67 -14.392 -7.146 -18.762 1.00 0.00 C ATOM 1104 OG SER A 67 -15.630 -7.823 -18.629 1.00 0.00 O ATOM 0 H SER A 67 -12.544 -5.339 -18.496 1.00 0.00 H new ATOM 0 HA SER A 67 -15.255 -5.389 -19.647 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.887 -7.479 -19.669 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.743 -7.400 -17.924 1.00 0.00 H new ATOM 0 HG SER A 67 -16.160 -7.400 -17.922 1.00 0.00 H new ATOM 1110 N MET A 68 -15.034 -3.881 -17.193 1.00 0.00 N ATOM 1111 CA MET A 68 -15.603 -3.297 -15.984 1.00 0.00 C ATOM 1112 C MET A 68 -15.556 -1.773 -16.042 1.00 0.00 C ATOM 1113 O MET A 68 -16.550 -1.123 -16.366 1.00 0.00 O ATOM 1114 CB MET A 68 -14.851 -3.796 -14.748 1.00 0.00 C ATOM 1115 CG MET A 68 -15.248 -3.082 -13.466 1.00 0.00 C ATOM 1116 SD MET A 68 -14.921 -4.068 -11.993 1.00 0.00 S ATOM 1117 CE MET A 68 -16.438 -5.011 -11.872 1.00 0.00 C ATOM 0 H MET A 68 -14.468 -3.237 -17.746 1.00 0.00 H new ATOM 0 HA MET A 68 -16.645 -3.608 -15.916 1.00 0.00 H new ATOM 0 HB2 MET A 68 -15.031 -4.864 -14.630 1.00 0.00 H new ATOM 0 HB3 MET A 68 -13.780 -3.669 -14.908 1.00 0.00 H new ATOM 0 HG2 MET A 68 -14.704 -2.140 -13.396 1.00 0.00 H new ATOM 0 HG3 MET A 68 -16.309 -2.836 -13.505 1.00 0.00 H new ATOM 0 HE1 MET A 68 -16.388 -5.671 -11.006 1.00 0.00 H new ATOM 0 HE2 MET A 68 -17.282 -4.330 -11.762 1.00 0.00 H new ATOM 0 HE3 MET A 68 -16.569 -5.607 -12.775 1.00 0.00 H new ATOM 1127 N LYS A 69 -14.396 -1.209 -15.724 1.00 0.00 N ATOM 1128 CA LYS A 69 -14.219 0.238 -15.741 1.00 0.00 C ATOM 1129 C LYS A 69 -12.995 0.627 -16.565 1.00 0.00 C ATOM 1130 O LYS A 69 -12.101 -0.188 -16.787 1.00 0.00 O ATOM 1131 CB LYS A 69 -14.076 0.771 -14.313 1.00 0.00 C ATOM 1132 CG LYS A 69 -15.098 1.837 -13.957 1.00 0.00 C ATOM 1133 CD LYS A 69 -16.048 1.357 -12.873 1.00 0.00 C ATOM 1134 CE LYS A 69 -15.627 1.859 -11.500 1.00 0.00 C ATOM 1135 NZ LYS A 69 -15.178 0.748 -10.617 1.00 0.00 N ATOM 0 H LYS A 69 -13.564 -1.732 -15.451 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.101 0.682 -16.202 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.170 -0.059 -13.613 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.075 1.183 -14.186 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.584 2.737 -13.620 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.667 2.109 -14.846 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.058 1.702 -13.094 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.077 0.267 -12.870 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.821 2.584 -11.610 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -16.462 2.380 -11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.900 1.131 -9.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.955 0.069 -10.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.365 0.267 -11.051 1.00 0.00 H new ATOM 1149 N GLY A 70 -12.963 1.878 -17.014 1.00 0.00 N ATOM 1150 CA GLY A 70 -11.844 2.352 -17.807 1.00 0.00 C ATOM 1151 C GLY A 70 -10.892 3.218 -17.006 1.00 0.00 C ATOM 1152 O GLY A 70 -9.949 2.715 -16.394 1.00 0.00 O ATOM 0 H GLY A 70 -13.691 2.571 -16.843 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.301 1.498 -18.211 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -12.220 2.921 -18.657 1.00 0.00 H new ATOM 1156 N LEU A 71 -11.136 4.524 -17.011 1.00 0.00 N ATOM 1157 CA LEU A 71 -10.292 5.463 -16.281 1.00 0.00 C ATOM 1158 C LEU A 71 -10.725 5.564 -14.822 1.00 0.00 C ATOM 1159 O LEU A 71 -9.939 5.948 -13.956 1.00 0.00 O ATOM 1160 CB LEU A 71 -10.345 6.844 -16.937 1.00 0.00 C ATOM 1161 CG LEU A 71 -11.670 7.596 -16.812 1.00 0.00 C ATOM 1162 CD1 LEU A 71 -11.690 8.435 -15.544 1.00 0.00 C ATOM 1163 CD2 LEU A 71 -11.905 8.470 -18.036 1.00 0.00 C ATOM 0 H LEU A 71 -11.912 4.957 -17.513 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.268 5.092 -16.312 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.558 7.461 -16.503 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.113 6.730 -17.996 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.476 6.865 -16.752 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.641 8.963 -15.472 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.569 7.786 -14.677 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.875 9.158 -15.573 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.853 8.998 -17.930 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.095 9.194 -18.127 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.936 7.845 -18.929 1.00 0.00 H new ATOM 1175 N ASP A 72 -11.979 5.216 -14.557 1.00 0.00 N ATOM 1176 CA ASP A 72 -12.517 5.264 -13.202 1.00 0.00 C ATOM 1177 C ASP A 72 -12.289 3.939 -12.480 1.00 0.00 C ATOM 1178 O ASP A 72 -12.827 3.709 -11.397 1.00 0.00 O ATOM 1179 CB ASP A 72 -14.010 5.591 -13.235 1.00 0.00 C ATOM 1180 CG ASP A 72 -14.323 6.782 -14.119 1.00 0.00 C ATOM 1181 OD1 ASP A 72 -14.101 7.927 -13.672 1.00 0.00 O ATOM 1182 OD2 ASP A 72 -14.789 6.569 -15.257 1.00 0.00 O ATOM 0 H ASP A 72 -12.643 4.897 -15.263 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.993 6.049 -12.657 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.561 4.722 -13.593 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.357 5.793 -12.222 1.00 0.00 H new ATOM 1187 N THR A 73 -11.488 3.069 -13.088 1.00 0.00 N ATOM 1188 CA THR A 73 -11.191 1.767 -12.505 1.00 0.00 C ATOM 1189 C THR A 73 -10.496 1.915 -11.157 1.00 0.00 C ATOM 1190 O THR A 73 -9.554 2.694 -11.016 1.00 0.00 O ATOM 1191 CB THR A 73 -10.302 0.924 -13.438 1.00 0.00 C ATOM 1192 OG1 THR A 73 -10.886 0.859 -14.745 1.00 0.00 O ATOM 1193 CG2 THR A 73 -10.122 -0.483 -12.888 1.00 0.00 C ATOM 0 H THR A 73 -11.033 3.243 -13.984 1.00 0.00 H new ATOM 0 HA THR A 73 -12.144 1.258 -12.366 1.00 0.00 H new ATOM 0 HB THR A 73 -9.324 1.401 -13.500 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.285 1.282 -15.393 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.491 -1.060 -13.564 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.651 -0.432 -11.906 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.095 -0.966 -12.799 1.00 0.00 H new ATOM 1201 N GLU A 74 -10.966 1.160 -10.168 1.00 0.00 N ATOM 1202 CA GLU A 74 -10.388 1.208 -8.830 1.00 0.00 C ATOM 1203 C GLU A 74 -9.665 -0.095 -8.503 1.00 0.00 C ATOM 1204 O GLU A 74 -10.063 -1.169 -8.957 1.00 0.00 O ATOM 1205 CB GLU A 74 -11.477 1.476 -7.789 1.00 0.00 C ATOM 1206 CG GLU A 74 -10.939 1.676 -6.383 1.00 0.00 C ATOM 1207 CD GLU A 74 -12.040 1.876 -5.360 1.00 0.00 C ATOM 1208 OE1 GLU A 74 -13.096 1.223 -5.490 1.00 0.00 O ATOM 1209 OE2 GLU A 74 -11.846 2.686 -4.429 1.00 0.00 O ATOM 0 H GLU A 74 -11.745 0.509 -10.268 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.663 2.022 -8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.039 2.362 -8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.178 0.641 -7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.339 0.811 -6.101 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.276 2.541 -6.371 1.00 0.00 H new ATOM 1216 N ILE A 75 -8.602 0.007 -7.712 1.00 0.00 N ATOM 1217 CA ILE A 75 -7.824 -1.163 -7.324 1.00 0.00 C ATOM 1218 C ILE A 75 -8.337 -1.753 -6.014 1.00 0.00 C ATOM 1219 O ILE A 75 -8.872 -1.040 -5.166 1.00 0.00 O ATOM 1220 CB ILE A 75 -6.331 -0.820 -7.169 1.00 0.00 C ATOM 1221 CG1 ILE A 75 -5.869 0.078 -8.319 1.00 0.00 C ATOM 1222 CG2 ILE A 75 -5.498 -2.092 -7.116 1.00 0.00 C ATOM 1223 CD1 ILE A 75 -4.409 0.463 -8.237 1.00 0.00 C ATOM 0 H ILE A 75 -8.260 0.888 -7.327 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.939 -1.898 -8.121 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.193 -0.279 -6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.048 -0.435 -9.264 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.475 0.984 -8.328 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.445 -1.833 -7.006 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.813 -2.698 -6.267 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.638 -2.658 -8.037 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.152 1.099 -9.084 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.227 1.004 -7.308 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.794 -0.436 -8.259 1.00 0.00 H new ATOM 1235 N LYS A 76 -8.167 -3.062 -5.856 1.00 0.00 N ATOM 1236 CA LYS A 76 -8.610 -3.750 -4.649 1.00 0.00 C ATOM 1237 C LYS A 76 -7.559 -3.647 -3.548 1.00 0.00 C ATOM 1238 O LYS A 76 -6.461 -3.135 -3.770 1.00 0.00 O ATOM 1239 CB LYS A 76 -8.901 -5.221 -4.954 1.00 0.00 C ATOM 1240 CG LYS A 76 -10.221 -5.443 -5.673 1.00 0.00 C ATOM 1241 CD LYS A 76 -11.405 -5.196 -4.754 1.00 0.00 C ATOM 1242 CE LYS A 76 -11.923 -6.494 -4.151 1.00 0.00 C ATOM 1243 NZ LYS A 76 -12.965 -6.248 -3.117 1.00 0.00 N ATOM 0 H LYS A 76 -7.726 -3.667 -6.549 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.524 -3.269 -4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.092 -5.624 -5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.906 -5.783 -4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.283 -4.778 -6.535 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.262 -6.463 -6.054 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.111 -4.514 -3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.204 -4.708 -5.312 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.336 -7.122 -4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.094 -7.045 -3.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.292 -7.157 -2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.564 -5.670 -2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.768 -5.745 -3.546 1.00 0.00 H new ATOM 1257 N ASP A 77 -7.902 -4.137 -2.362 1.00 0.00 N ATOM 1258 CA ASP A 77 -6.987 -4.102 -1.227 1.00 0.00 C ATOM 1259 C ASP A 77 -5.647 -4.736 -1.589 1.00 0.00 C ATOM 1260 O ASP A 77 -4.612 -4.392 -1.018 1.00 0.00 O ATOM 1261 CB ASP A 77 -7.600 -4.826 -0.027 1.00 0.00 C ATOM 1262 CG ASP A 77 -6.835 -4.572 1.256 1.00 0.00 C ATOM 1263 OD1 ASP A 77 -6.592 -3.390 1.577 1.00 0.00 O ATOM 1264 OD2 ASP A 77 -6.478 -5.555 1.939 1.00 0.00 O ATOM 0 H ASP A 77 -8.807 -4.563 -2.161 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.815 -3.058 -0.963 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.633 -4.502 0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.624 -5.897 -0.226 1.00 0.00 H new ATOM 1269 N ASP A 78 -5.675 -5.663 -2.539 1.00 0.00 N ATOM 1270 CA ASP A 78 -4.463 -6.345 -2.978 1.00 0.00 C ATOM 1271 C ASP A 78 -3.437 -5.346 -3.502 1.00 0.00 C ATOM 1272 O ASP A 78 -2.245 -5.457 -3.214 1.00 0.00 O ATOM 1273 CB ASP A 78 -4.794 -7.372 -4.063 1.00 0.00 C ATOM 1274 CG ASP A 78 -5.257 -8.695 -3.486 1.00 0.00 C ATOM 1275 OD1 ASP A 78 -4.435 -9.383 -2.845 1.00 0.00 O ATOM 1276 OD2 ASP A 78 -6.441 -9.042 -3.674 1.00 0.00 O ATOM 0 H ASP A 78 -6.524 -5.960 -3.020 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.035 -6.861 -2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.571 -6.971 -4.714 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.913 -7.538 -4.683 1.00 0.00 H new ATOM 1281 N ASP A 79 -3.907 -4.372 -4.273 1.00 0.00 N ATOM 1282 CA ASP A 79 -3.030 -3.353 -4.837 1.00 0.00 C ATOM 1283 C ASP A 79 -1.993 -3.981 -5.764 1.00 0.00 C ATOM 1284 O ASP A 79 -0.825 -4.123 -5.401 1.00 0.00 O ATOM 1285 CB ASP A 79 -2.330 -2.576 -3.721 1.00 0.00 C ATOM 1286 CG ASP A 79 -3.208 -2.406 -2.496 1.00 0.00 C ATOM 1287 OD1 ASP A 79 -4.388 -2.030 -2.659 1.00 0.00 O ATOM 1288 OD2 ASP A 79 -2.715 -2.650 -1.375 1.00 0.00 O ATOM 0 H ASP A 79 -4.891 -4.267 -4.522 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.642 -2.664 -5.419 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.414 -3.096 -3.439 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.037 -1.594 -4.094 1.00 0.00 H new ATOM 1293 N LYS A 80 -2.428 -4.356 -6.962 1.00 0.00 N ATOM 1294 CA LYS A 80 -1.538 -4.968 -7.942 1.00 0.00 C ATOM 1295 C LYS A 80 -1.961 -4.606 -9.362 1.00 0.00 C ATOM 1296 O LYS A 80 -3.130 -4.743 -9.725 1.00 0.00 O ATOM 1297 CB LYS A 80 -1.531 -6.489 -7.773 1.00 0.00 C ATOM 1298 CG LYS A 80 -0.798 -7.221 -8.885 1.00 0.00 C ATOM 1299 CD LYS A 80 -0.883 -8.728 -8.711 1.00 0.00 C ATOM 1300 CE LYS A 80 0.148 -9.233 -7.713 1.00 0.00 C ATOM 1301 NZ LYS A 80 -0.268 -10.519 -7.089 1.00 0.00 N ATOM 0 H LYS A 80 -3.392 -4.247 -7.278 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.532 -4.584 -7.773 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.068 -6.738 -6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.560 -6.846 -7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.223 -6.941 -9.849 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.248 -6.914 -8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.883 -9.000 -8.372 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.729 -9.216 -9.673 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.106 -9.367 -8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.298 -8.484 -6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.461 -10.830 -6.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.169 -10.386 -6.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.387 -11.241 -7.828 1.00 0.00 H new ATOM 1315 N ILE A 81 -1.004 -4.145 -10.160 1.00 0.00 N ATOM 1316 CA ILE A 81 -1.278 -3.766 -11.540 1.00 0.00 C ATOM 1317 C ILE A 81 -0.368 -4.517 -12.507 1.00 0.00 C ATOM 1318 O ILE A 81 0.817 -4.712 -12.237 1.00 0.00 O ATOM 1319 CB ILE A 81 -1.097 -2.251 -11.755 1.00 0.00 C ATOM 1320 CG1 ILE A 81 -2.029 -1.468 -10.828 1.00 0.00 C ATOM 1321 CG2 ILE A 81 -1.358 -1.888 -13.209 1.00 0.00 C ATOM 1322 CD1 ILE A 81 -1.347 -0.325 -10.110 1.00 0.00 C ATOM 0 H ILE A 81 -0.032 -4.025 -9.874 1.00 0.00 H new ATOM 0 HA ILE A 81 -2.316 -4.032 -11.740 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.068 -1.984 -11.514 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.862 -1.075 -11.411 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.451 -2.150 -10.090 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.226 -0.815 -13.345 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.657 -2.424 -13.849 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.378 -2.165 -13.476 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.068 0.185 -9.471 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.532 -0.713 -9.500 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.949 0.378 -10.841 1.00 0.00 H new ATOM 1334 N ASP A 82 -0.931 -4.934 -13.636 1.00 0.00 N ATOM 1335 CA ASP A 82 -0.170 -5.662 -14.646 1.00 0.00 C ATOM 1336 C ASP A 82 -0.158 -4.902 -15.968 1.00 0.00 C ATOM 1337 O ASP A 82 -1.187 -4.392 -16.413 1.00 0.00 O ATOM 1338 CB ASP A 82 -0.759 -7.058 -14.851 1.00 0.00 C ATOM 1339 CG ASP A 82 -1.173 -7.710 -13.546 1.00 0.00 C ATOM 1340 OD1 ASP A 82 -2.267 -7.383 -13.040 1.00 0.00 O ATOM 1341 OD2 ASP A 82 -0.403 -8.546 -13.031 1.00 0.00 O ATOM 0 H ASP A 82 -1.911 -4.781 -13.875 1.00 0.00 H new ATOM 0 HA ASP A 82 0.857 -5.758 -14.293 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.624 -6.991 -15.510 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.025 -7.689 -15.352 1.00 0.00 H new ATOM 1346 N LEU A 83 1.013 -4.829 -16.592 1.00 0.00 N ATOM 1347 CA LEU A 83 1.160 -4.130 -17.864 1.00 0.00 C ATOM 1348 C LEU A 83 1.547 -5.099 -18.976 1.00 0.00 C ATOM 1349 O LEU A 83 2.636 -5.674 -18.963 1.00 0.00 O ATOM 1350 CB LEU A 83 2.214 -3.027 -17.744 1.00 0.00 C ATOM 1351 CG LEU A 83 1.721 -1.684 -17.204 1.00 0.00 C ATOM 1352 CD1 LEU A 83 0.791 -1.016 -18.205 1.00 0.00 C ATOM 1353 CD2 LEU A 83 1.021 -1.871 -15.866 1.00 0.00 C ATOM 0 H LEU A 83 1.874 -5.245 -16.238 1.00 0.00 H new ATOM 0 HA LEU A 83 0.200 -3.681 -18.116 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.014 -3.385 -17.096 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.652 -2.862 -18.728 1.00 0.00 H new ATOM 0 HG LEU A 83 2.584 -1.036 -17.052 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.450 -0.062 -17.804 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.324 -0.847 -19.140 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.069 -1.660 -18.389 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.677 -0.905 -15.497 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.167 -2.536 -15.992 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.717 -2.306 -15.149 1.00 0.00 H new ATOM 1365 N PHE A 84 0.648 -5.275 -19.939 1.00 0.00 N ATOM 1366 CA PHE A 84 0.895 -6.174 -21.061 1.00 0.00 C ATOM 1367 C PHE A 84 0.876 -5.413 -22.383 1.00 0.00 C ATOM 1368 O PHE A 84 0.157 -4.428 -22.551 1.00 0.00 O ATOM 1369 CB PHE A 84 -0.151 -7.291 -21.087 1.00 0.00 C ATOM 1370 CG PHE A 84 0.309 -8.559 -20.426 1.00 0.00 C ATOM 1371 CD1 PHE A 84 0.305 -8.677 -19.046 1.00 0.00 C ATOM 1372 CD2 PHE A 84 0.746 -9.632 -21.185 1.00 0.00 C ATOM 1373 CE1 PHE A 84 0.727 -9.842 -18.434 1.00 0.00 C ATOM 1374 CE2 PHE A 84 1.169 -10.800 -20.580 1.00 0.00 C ATOM 1375 CZ PHE A 84 1.161 -10.905 -19.202 1.00 0.00 C ATOM 0 H PHE A 84 -0.258 -4.807 -19.965 1.00 0.00 H new ATOM 0 HA PHE A 84 1.884 -6.614 -20.930 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.057 -6.941 -20.592 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.416 -7.506 -22.122 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.032 -7.848 -18.441 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.756 -9.555 -22.262 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.717 -9.921 -17.357 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.506 -11.630 -21.183 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.493 -11.816 -18.727 1.00 0.00 H new ATOM 1385 N PRO A 85 1.686 -5.879 -23.345 1.00 0.00 N ATOM 1386 CA PRO A 85 1.781 -5.257 -24.669 1.00 0.00 C ATOM 1387 C PRO A 85 0.518 -5.462 -25.498 1.00 0.00 C ATOM 1388 O PRO A 85 0.094 -6.587 -25.760 1.00 0.00 O ATOM 1389 CB PRO A 85 2.967 -5.978 -25.315 1.00 0.00 C ATOM 1390 CG PRO A 85 3.030 -7.297 -24.625 1.00 0.00 C ATOM 1391 CD PRO A 85 2.571 -7.048 -23.215 1.00 0.00 C ATOM 0 HA PRO A 85 1.905 -4.176 -24.603 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.820 -6.099 -26.388 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.892 -5.417 -25.182 1.00 0.00 H new ATOM 0 HG2 PRO A 85 2.391 -8.028 -25.120 1.00 0.00 H new ATOM 0 HG3 PRO A 85 4.044 -7.698 -24.641 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.042 -7.909 -22.807 1.00 0.00 H new ATOM 0 HD3 PRO A 85 3.410 -6.845 -22.549 1.00 0.00 H new ATOM 1399 N PRO A 86 -0.100 -4.349 -25.922 1.00 0.00 N ATOM 1400 CA PRO A 86 -1.324 -4.381 -26.728 1.00 0.00 C ATOM 1401 C PRO A 86 -1.074 -4.898 -28.141 1.00 0.00 C ATOM 1402 O PRO A 86 0.031 -4.777 -28.671 1.00 0.00 O ATOM 1403 CB PRO A 86 -1.762 -2.915 -26.765 1.00 0.00 C ATOM 1404 CG PRO A 86 -0.508 -2.138 -26.557 1.00 0.00 C ATOM 1405 CD PRO A 86 0.350 -2.974 -25.647 1.00 0.00 C ATOM 0 HA PRO A 86 -2.072 -5.053 -26.307 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.229 -2.665 -27.718 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.494 -2.701 -25.986 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -0.004 -1.950 -27.505 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.720 -1.167 -26.110 1.00 0.00 H new ATOM 0 HD2 PRO A 86 1.410 -2.847 -25.866 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.206 -2.706 -24.600 1.00 0.00 H new