USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 960 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 70 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.648) USER MOD Set 1.2: A 95 GLN :FLIP amide:sc= -1.74 F(o=-3,f=-1.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= -0.0116 (180deg=-0.146) USER MOD Single : A 2 GLN :FLIP amide:sc= 1.15 F(o=-0.11,f=1.2) USER MOD Single : A 13 SER OG : rot 180:sc= 0.436! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -110:sc= -0.193 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 66:sc= -2.29 USER MOD Single : A 35 ASN : amide:sc= -3.15! C(o=-3.1!,f=-5.4!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.115 F(o=-0.8,f=-0.12) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 31:sc= -4.3! USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 164:sc= -0.926 (180deg=-1.67!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.761 K(o=-0.76,f=-3.3!) USER MOD Single : A 71 GLN : amide:sc= 1.08 K(o=1.1,f=-0.46) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -22.6! C(o=-24!,f=-23!) USER MOD Single : A 75 MET CE :methyl 172:sc= 0 (180deg=-0.086) USER MOD Single : A 81 MET CE :methyl 172:sc= -3.56! (180deg=-3.87!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -1.62 F(o=-2.2,f=-1.6) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.00701 USER MOD Single : A 94 TYR OH : rot 34:sc=0.000755 USER MOD Single : A 96 GLN : amide:sc= -2.57! C(o=-2.6!,f=-5.2!) USER MOD Single : A 101 TYR OH : rot 15:sc= -0.836 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.806 -18.756 0.943 1.00 0.00 N ATOM 2 CA MET A 1 11.599 -17.503 0.809 1.00 0.00 C ATOM 3 C MET A 1 10.740 -16.357 0.283 1.00 0.00 C ATOM 4 O MET A 1 9.900 -16.550 -0.595 1.00 0.00 O ATOM 5 CB MET A 1 12.763 -17.759 -0.149 1.00 0.00 C ATOM 6 CG MET A 1 12.321 -18.241 -1.522 1.00 0.00 C ATOM 7 SD MET A 1 13.678 -18.280 -2.709 1.00 0.00 S ATOM 8 CE MET A 1 12.912 -19.151 -4.074 1.00 0.00 C ATOM 0 H1 MET A 1 11.412 -19.575 0.732 1.00 0.00 H new ATOM 0 H2 MET A 1 10.443 -18.835 1.914 1.00 0.00 H new ATOM 0 H3 MET A 1 10.008 -18.735 0.276 1.00 0.00 H new ATOM 0 HA MET A 1 11.972 -17.215 1.792 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.339 -16.841 -0.263 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.430 -18.501 0.291 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.892 -19.239 -1.433 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.533 -17.588 -1.897 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.629 -19.254 -4.888 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.595 -20.140 -3.743 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.045 -18.590 -4.423 1.00 0.00 H new ATOM 20 N GLN A 2 10.959 -15.162 0.825 1.00 0.00 N ATOM 21 CA GLN A 2 10.204 -13.986 0.406 1.00 0.00 C ATOM 22 C GLN A 2 11.131 -12.907 -0.142 1.00 0.00 C ATOM 23 O GLN A 2 10.777 -12.194 -1.076 1.00 0.00 O ATOM 24 CB GLN A 2 9.382 -13.441 1.576 1.00 0.00 C ATOM 25 CG GLN A 2 7.954 -13.963 1.601 1.00 0.00 C ATOM 26 CD GLN A 2 7.307 -13.835 2.968 1.00 0.00 C ATOM 27 OE1 GLN A 2 7.530 -14.828 3.823 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 6.615 -12.858 3.251 1.00 0.00 N flip ATOM 0 H GLN A 2 11.651 -14.983 1.553 1.00 0.00 H new ATOM 0 HA GLN A 2 9.525 -14.284 -0.393 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.875 -13.705 2.512 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.363 -12.353 1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.359 -13.416 0.869 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.949 -15.010 1.298 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.471 -12.119 2.563 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.186 -12.787 4.174 1.00 0.00 H new ATOM 37 N ARG A 3 12.316 -12.805 0.450 1.00 0.00 N ATOM 38 CA ARG A 3 13.336 -11.828 0.049 1.00 0.00 C ATOM 39 C ARG A 3 12.938 -10.387 0.385 1.00 0.00 C ATOM 40 O ARG A 3 13.802 -9.542 0.625 1.00 0.00 O ATOM 41 CB ARG A 3 13.694 -11.989 -1.440 1.00 0.00 C ATOM 42 CG ARG A 3 12.905 -11.112 -2.405 1.00 0.00 C ATOM 43 CD ARG A 3 12.978 -11.662 -3.821 1.00 0.00 C ATOM 44 NE ARG A 3 14.112 -11.115 -4.562 1.00 0.00 N ATOM 45 CZ ARG A 3 14.288 -11.274 -5.871 1.00 0.00 C ATOM 46 NH1 ARG A 3 13.404 -11.959 -6.587 1.00 0.00 N ATOM 47 NH2 ARG A 3 15.350 -10.748 -6.464 1.00 0.00 N ATOM 0 H ARG A 3 12.603 -13.400 1.228 1.00 0.00 H new ATOM 0 HA ARG A 3 14.230 -12.039 0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 3 14.755 -11.773 -1.566 1.00 0.00 H new ATOM 0 HB3 ARG A 3 13.545 -13.032 -1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.864 -11.057 -2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 3 13.299 -10.096 -2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.059 -12.748 -3.784 1.00 0.00 H new ATOM 0 HD3 ARG A 3 12.053 -11.429 -4.349 1.00 0.00 H new ATOM 0 HE ARG A 3 14.810 -10.580 -4.045 1.00 0.00 H new ATOM 0 HH11 ARG A 3 12.586 -12.366 -6.134 1.00 0.00 H new ATOM 0 HH12 ARG A 3 13.543 -12.078 -7.590 1.00 0.00 H new ATOM 0 HH21 ARG A 3 16.031 -10.222 -5.917 1.00 0.00 H new ATOM 0 HH22 ARG A 3 15.486 -10.869 -7.468 1.00 0.00 H new ATOM 61 N GLY A 4 11.641 -10.113 0.422 1.00 0.00 N ATOM 62 CA GLY A 4 11.174 -8.780 0.753 1.00 0.00 C ATOM 63 C GLY A 4 10.696 -8.014 -0.459 1.00 0.00 C ATOM 64 O GLY A 4 11.481 -7.336 -1.122 1.00 0.00 O ATOM 0 H GLY A 4 10.903 -10.790 0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.361 -8.853 1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.980 -8.226 1.234 1.00 0.00 H new ATOM 68 N ILE A 5 9.407 -8.121 -0.755 1.00 0.00 N ATOM 69 CA ILE A 5 8.834 -7.434 -1.902 1.00 0.00 C ATOM 70 C ILE A 5 7.756 -6.444 -1.470 1.00 0.00 C ATOM 71 O ILE A 5 6.689 -6.837 -0.998 1.00 0.00 O ATOM 72 CB ILE A 5 8.229 -8.437 -2.906 1.00 0.00 C ATOM 73 CG1 ILE A 5 9.159 -9.643 -3.093 1.00 0.00 C ATOM 74 CG2 ILE A 5 7.958 -7.753 -4.239 1.00 0.00 C ATOM 75 CD1 ILE A 5 10.613 -9.273 -3.283 1.00 0.00 C ATOM 0 H ILE A 5 8.741 -8.676 -0.217 1.00 0.00 H new ATOM 0 HA ILE A 5 9.645 -6.889 -2.386 1.00 0.00 H new ATOM 0 HB ILE A 5 7.282 -8.799 -2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.071 -10.295 -2.224 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.824 -10.217 -3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.531 -8.473 -4.937 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.257 -6.932 -4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.892 -7.364 -4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 5 11.206 -10.179 -3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.716 -8.646 -4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.967 -8.726 -2.409 1.00 0.00 H new ATOM 87 N VAL A 6 8.042 -5.158 -1.644 1.00 0.00 N ATOM 88 CA VAL A 6 7.097 -4.106 -1.287 1.00 0.00 C ATOM 89 C VAL A 6 6.643 -3.355 -2.531 1.00 0.00 C ATOM 90 O VAL A 6 7.446 -2.724 -3.215 1.00 0.00 O ATOM 91 CB VAL A 6 7.705 -3.107 -0.277 1.00 0.00 C ATOM 92 CG1 VAL A 6 9.027 -2.555 -0.788 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.733 -1.972 0.017 1.00 0.00 C ATOM 0 H VAL A 6 8.923 -4.819 -2.031 1.00 0.00 H new ATOM 0 HA VAL A 6 6.240 -4.588 -0.816 1.00 0.00 H new ATOM 0 HB VAL A 6 7.895 -3.645 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.435 -1.854 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.730 -3.374 -0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.865 -2.040 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.184 -1.282 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.504 -1.440 -0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.814 -2.380 0.438 1.00 0.00 H new ATOM 103 N TRP A 7 5.351 -3.425 -2.825 1.00 0.00 N ATOM 104 CA TRP A 7 4.814 -2.744 -3.994 1.00 0.00 C ATOM 105 C TRP A 7 3.999 -1.530 -3.574 1.00 0.00 C ATOM 106 O TRP A 7 3.207 -1.592 -2.635 1.00 0.00 O ATOM 107 CB TRP A 7 3.986 -3.709 -4.848 1.00 0.00 C ATOM 108 CG TRP A 7 4.844 -4.552 -5.750 1.00 0.00 C ATOM 109 CD1 TRP A 7 6.205 -4.661 -5.705 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.411 -5.402 -6.822 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.647 -5.503 -6.690 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.567 -5.981 -7.384 1.00 0.00 C ATOM 113 CE3 TRP A 7 3.164 -5.732 -7.364 1.00 0.00 C ATOM 114 CZ2 TRP A 7 5.513 -6.866 -8.457 1.00 0.00 C ATOM 115 CZ3 TRP A 7 3.113 -6.614 -8.429 1.00 0.00 C ATOM 116 CH2 TRP A 7 4.282 -7.172 -8.965 1.00 0.00 C ATOM 0 H TRP A 7 4.663 -3.941 -2.276 1.00 0.00 H new ATOM 0 HA TRP A 7 5.644 -2.392 -4.606 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.401 -4.358 -4.196 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.277 -3.141 -5.451 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.841 -4.155 -4.994 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.622 -5.736 -6.877 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.258 -5.306 -6.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 6.412 -7.296 -8.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 2.156 -6.877 -8.855 1.00 0.00 H new ATOM 0 HH2 TRP A 7 4.208 -7.858 -9.796 1.00 0.00 H new ATOM 127 N VAL A 8 4.238 -0.412 -4.252 1.00 0.00 N ATOM 128 CA VAL A 8 3.562 0.834 -3.923 1.00 0.00 C ATOM 129 C VAL A 8 2.786 1.400 -5.101 1.00 0.00 C ATOM 130 O VAL A 8 3.180 1.249 -6.250 1.00 0.00 O ATOM 131 CB VAL A 8 4.568 1.916 -3.472 1.00 0.00 C ATOM 132 CG1 VAL A 8 3.892 2.928 -2.565 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.789 1.300 -2.793 1.00 0.00 C ATOM 0 H VAL A 8 4.894 -0.345 -5.031 1.00 0.00 H new ATOM 0 HA VAL A 8 2.873 0.587 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 8 4.921 2.435 -4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.616 3.682 -2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.074 3.408 -3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.500 2.421 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.474 2.091 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.472 0.738 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.294 0.630 -3.490 1.00 0.00 H new ATOM 143 N VAL A 9 1.696 2.084 -4.799 1.00 0.00 N ATOM 144 CA VAL A 9 0.883 2.716 -5.829 1.00 0.00 C ATOM 145 C VAL A 9 0.695 4.196 -5.510 1.00 0.00 C ATOM 146 O VAL A 9 0.041 4.553 -4.531 1.00 0.00 O ATOM 147 CB VAL A 9 -0.493 2.033 -6.006 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.732 1.718 -7.477 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.588 0.766 -5.166 1.00 0.00 C ATOM 0 H VAL A 9 1.351 2.217 -3.848 1.00 0.00 H new ATOM 0 HA VAL A 9 1.418 2.605 -6.772 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.265 2.720 -5.661 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.703 1.237 -7.593 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.713 2.642 -8.055 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.049 1.049 -7.837 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.566 0.307 -5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.190 0.067 -5.473 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.456 1.017 -4.113 1.00 0.00 H new ATOM 159 N ASP A 10 1.295 5.048 -6.337 1.00 0.00 N ATOM 160 CA ASP A 10 1.223 6.493 -6.146 1.00 0.00 C ATOM 161 C ASP A 10 1.583 7.225 -7.436 1.00 0.00 C ATOM 162 O ASP A 10 1.552 6.644 -8.518 1.00 0.00 O ATOM 163 CB ASP A 10 2.166 6.918 -5.014 1.00 0.00 C ATOM 164 CG ASP A 10 1.651 8.117 -4.242 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.708 8.775 -4.728 1.00 0.00 O ATOM 166 OD2 ASP A 10 2.191 8.400 -3.151 1.00 0.00 O ATOM 0 H ASP A 10 1.839 4.760 -7.150 1.00 0.00 H new ATOM 0 HA ASP A 10 0.201 6.758 -5.876 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.304 6.082 -4.329 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.145 7.153 -5.431 1.00 0.00 H new ATOM 171 N ASP A 11 1.921 8.505 -7.323 1.00 0.00 N ATOM 172 CA ASP A 11 2.273 9.306 -8.488 1.00 0.00 C ATOM 173 C ASP A 11 3.572 8.829 -9.141 1.00 0.00 C ATOM 174 O ASP A 11 3.986 9.368 -10.167 1.00 0.00 O ATOM 175 CB ASP A 11 2.414 10.775 -8.089 1.00 0.00 C ATOM 176 CG ASP A 11 1.123 11.352 -7.548 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.095 11.269 -8.252 1.00 0.00 O ATOM 178 OD2 ASP A 11 1.137 11.887 -6.419 1.00 0.00 O ATOM 0 H ASP A 11 1.958 9.009 -6.437 1.00 0.00 H new ATOM 0 HA ASP A 11 1.470 9.192 -9.216 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.196 10.871 -7.335 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.733 11.355 -8.955 1.00 0.00 H new ATOM 183 N ASP A 12 4.209 7.815 -8.554 1.00 0.00 N ATOM 184 CA ASP A 12 5.453 7.279 -9.102 1.00 0.00 C ATOM 185 C ASP A 12 6.590 8.291 -8.953 1.00 0.00 C ATOM 186 O ASP A 12 6.562 9.137 -8.059 1.00 0.00 O ATOM 187 CB ASP A 12 5.256 6.898 -10.576 1.00 0.00 C ATOM 188 CG ASP A 12 6.012 5.639 -10.962 1.00 0.00 C ATOM 189 OD1 ASP A 12 5.451 4.536 -10.796 1.00 0.00 O ATOM 190 OD2 ASP A 12 7.164 5.757 -11.428 1.00 0.00 O ATOM 0 H ASP A 12 3.886 7.352 -7.705 1.00 0.00 H new ATOM 0 HA ASP A 12 5.724 6.384 -8.542 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.193 6.753 -10.771 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.586 7.723 -11.207 1.00 0.00 H new ATOM 195 N SER A 13 7.583 8.207 -9.845 1.00 0.00 N ATOM 196 CA SER A 13 8.725 9.110 -9.840 1.00 0.00 C ATOM 197 C SER A 13 9.135 9.549 -8.430 1.00 0.00 C ATOM 198 O SER A 13 9.852 8.829 -7.734 1.00 0.00 O ATOM 199 CB SER A 13 8.400 10.304 -10.724 1.00 0.00 C ATOM 200 OG SER A 13 7.431 11.143 -10.120 1.00 0.00 O ATOM 0 H SER A 13 7.612 7.509 -10.588 1.00 0.00 H new ATOM 0 HA SER A 13 9.589 8.576 -10.236 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.309 10.874 -10.917 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.032 9.955 -11.689 1.00 0.00 H new ATOM 0 HG SER A 13 7.243 11.903 -10.710 1.00 0.00 H new ATOM 206 N SER A 14 8.687 10.732 -8.017 1.00 0.00 N ATOM 207 CA SER A 14 9.019 11.267 -6.698 1.00 0.00 C ATOM 208 C SER A 14 8.690 10.271 -5.588 1.00 0.00 C ATOM 209 O SER A 14 9.539 9.964 -4.753 1.00 0.00 O ATOM 210 CB SER A 14 8.274 12.584 -6.453 1.00 0.00 C ATOM 211 OG SER A 14 9.091 13.526 -5.773 1.00 0.00 O ATOM 0 H SER A 14 8.091 11.341 -8.578 1.00 0.00 H new ATOM 0 HA SER A 14 10.093 11.451 -6.680 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.950 13.003 -7.406 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.375 12.391 -5.868 1.00 0.00 H new ATOM 0 HG SER A 14 8.588 14.355 -5.634 1.00 0.00 H new ATOM 217 N ILE A 15 7.458 9.765 -5.579 1.00 0.00 N ATOM 218 CA ILE A 15 7.046 8.806 -4.560 1.00 0.00 C ATOM 219 C ILE A 15 7.842 7.510 -4.668 1.00 0.00 C ATOM 220 O ILE A 15 8.081 6.830 -3.669 1.00 0.00 O ATOM 221 CB ILE A 15 5.539 8.486 -4.644 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.715 9.772 -4.773 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.103 7.700 -3.417 1.00 0.00 C ATOM 224 CD1 ILE A 15 4.807 10.676 -3.561 1.00 0.00 C ATOM 0 H ILE A 15 6.735 10.001 -6.259 1.00 0.00 H new ATOM 0 HA ILE A 15 7.247 9.274 -3.596 1.00 0.00 H new ATOM 0 HB ILE A 15 5.365 7.880 -5.533 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.051 10.322 -5.652 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.671 9.509 -4.941 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.038 7.479 -3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.664 6.767 -3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.294 8.290 -2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.199 11.566 -3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.443 10.144 -2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.845 10.970 -3.404 1.00 0.00 H new ATOM 236 N ARG A 16 8.248 7.177 -5.885 1.00 0.00 N ATOM 237 CA ARG A 16 9.024 5.966 -6.142 1.00 0.00 C ATOM 238 C ARG A 16 10.457 6.117 -5.634 1.00 0.00 C ATOM 239 O ARG A 16 11.024 5.192 -5.057 1.00 0.00 O ATOM 240 CB ARG A 16 9.041 5.664 -7.642 1.00 0.00 C ATOM 241 CG ARG A 16 9.574 4.283 -7.987 1.00 0.00 C ATOM 242 CD ARG A 16 9.620 4.069 -9.489 1.00 0.00 C ATOM 243 NE ARG A 16 10.764 4.746 -10.091 1.00 0.00 N ATOM 244 CZ ARG A 16 11.065 4.692 -11.383 1.00 0.00 C ATOM 245 NH1 ARG A 16 10.305 3.998 -12.223 1.00 0.00 N ATOM 246 NH2 ARG A 16 12.132 5.337 -11.833 1.00 0.00 N ATOM 0 H ARG A 16 8.052 7.732 -6.718 1.00 0.00 H new ATOM 0 HA ARG A 16 8.552 5.141 -5.609 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.028 5.760 -8.033 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.650 6.414 -8.147 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.574 4.162 -7.569 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.943 3.522 -7.528 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.673 3.002 -9.704 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.699 4.439 -9.939 1.00 0.00 H new ATOM 0 HE ARG A 16 11.370 5.295 -9.481 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.484 3.502 -11.877 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.543 3.961 -13.214 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.715 5.870 -11.188 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.370 5.300 -12.824 1.00 0.00 H new ATOM 260 N TRP A 17 11.038 7.291 -5.866 1.00 0.00 N ATOM 261 CA TRP A 17 12.411 7.572 -5.452 1.00 0.00 C ATOM 262 C TRP A 17 12.562 7.569 -3.935 1.00 0.00 C ATOM 263 O TRP A 17 13.429 6.889 -3.386 1.00 0.00 O ATOM 264 CB TRP A 17 12.859 8.929 -6.009 1.00 0.00 C ATOM 265 CG TRP A 17 14.293 9.262 -5.714 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.354 9.125 -6.563 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.826 9.796 -4.492 1.00 0.00 C ATOM 268 NE1 TRP A 17 16.511 9.539 -5.946 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.214 9.953 -4.675 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.268 10.156 -3.262 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.047 10.451 -3.676 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.096 10.651 -2.271 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.473 10.794 -2.483 1.00 0.00 C ATOM 0 H TRP A 17 10.577 8.067 -6.341 1.00 0.00 H new ATOM 0 HA TRP A 17 13.041 6.778 -5.853 1.00 0.00 H new ATOM 0 HB2 TRP A 17 12.709 8.935 -7.089 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.222 9.710 -5.594 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.293 8.746 -7.573 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.440 9.538 -6.367 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.207 10.049 -3.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.109 10.562 -3.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 14.674 10.932 -1.318 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.094 11.183 -1.689 1.00 0.00 H new ATOM 284 N VAL A 18 11.737 8.353 -3.260 1.00 0.00 N ATOM 285 CA VAL A 18 11.812 8.456 -1.808 1.00 0.00 C ATOM 286 C VAL A 18 11.581 7.118 -1.122 1.00 0.00 C ATOM 287 O VAL A 18 12.262 6.780 -0.154 1.00 0.00 O ATOM 288 CB VAL A 18 10.807 9.481 -1.234 1.00 0.00 C ATOM 289 CG1 VAL A 18 11.282 9.974 0.122 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.596 10.658 -2.181 1.00 0.00 C ATOM 0 H VAL A 18 11.010 8.926 -3.690 1.00 0.00 H new ATOM 0 HA VAL A 18 12.826 8.797 -1.601 1.00 0.00 H new ATOM 0 HB VAL A 18 9.848 8.977 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.567 10.696 0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.364 9.131 0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.257 10.450 0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.883 11.356 -1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.546 11.166 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.208 10.294 -3.132 1.00 0.00 H new ATOM 300 N LEU A 19 10.595 6.382 -1.601 1.00 0.00 N ATOM 301 CA LEU A 19 10.235 5.103 -1.006 1.00 0.00 C ATOM 302 C LEU A 19 11.104 3.941 -1.472 1.00 0.00 C ATOM 303 O LEU A 19 11.252 2.956 -0.750 1.00 0.00 O ATOM 304 CB LEU A 19 8.764 4.786 -1.287 1.00 0.00 C ATOM 305 CG LEU A 19 8.096 3.842 -0.286 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.253 4.366 1.129 1.00 0.00 C ATOM 307 CD2 LEU A 19 6.626 3.675 -0.625 1.00 0.00 C ATOM 0 H LEU A 19 10.025 6.648 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 19 10.406 5.212 0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.205 5.722 -1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.688 4.347 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 19 8.584 2.870 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.771 3.681 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.313 4.446 1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.788 5.349 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.161 3.001 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.131 4.645 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.529 3.259 -1.628 1.00 0.00 H new ATOM 319 N GLU A 20 11.653 4.024 -2.674 1.00 0.00 N ATOM 320 CA GLU A 20 12.464 2.926 -3.179 1.00 0.00 C ATOM 321 C GLU A 20 13.758 2.759 -2.389 1.00 0.00 C ATOM 322 O GLU A 20 13.978 1.717 -1.772 1.00 0.00 O ATOM 323 CB GLU A 20 12.747 3.084 -4.681 1.00 0.00 C ATOM 324 CG GLU A 20 13.597 4.282 -5.061 1.00 0.00 C ATOM 325 CD GLU A 20 13.637 4.512 -6.560 1.00 0.00 C ATOM 326 OE1 GLU A 20 12.621 4.974 -7.120 1.00 0.00 O ATOM 327 OE2 GLU A 20 14.691 4.235 -7.175 1.00 0.00 O ATOM 0 H GLU A 20 11.556 4.819 -3.305 1.00 0.00 H new ATOM 0 HA GLU A 20 11.884 2.013 -3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.243 2.181 -5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.795 3.154 -5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.205 5.173 -4.570 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.612 4.135 -4.692 1.00 0.00 H new ATOM 334 N ARG A 21 14.616 3.771 -2.406 1.00 0.00 N ATOM 335 CA ARG A 21 15.875 3.692 -1.689 1.00 0.00 C ATOM 336 C ARG A 21 15.681 3.356 -0.213 1.00 0.00 C ATOM 337 O ARG A 21 16.341 2.466 0.322 1.00 0.00 O ATOM 338 CB ARG A 21 16.661 4.983 -1.830 1.00 0.00 C ATOM 339 CG ARG A 21 17.027 5.245 -3.265 1.00 0.00 C ATOM 340 CD ARG A 21 15.987 6.109 -3.905 1.00 0.00 C ATOM 341 NE ARG A 21 16.152 6.215 -5.351 1.00 0.00 N ATOM 342 CZ ARG A 21 17.174 6.816 -5.947 1.00 0.00 C ATOM 343 NH1 ARG A 21 18.138 7.381 -5.231 1.00 0.00 N ATOM 344 NH2 ARG A 21 17.221 6.863 -7.270 1.00 0.00 N ATOM 0 H ARG A 21 14.462 4.647 -2.905 1.00 0.00 H new ATOM 0 HA ARG A 21 16.442 2.878 -2.141 1.00 0.00 H new ATOM 0 HB2 ARG A 21 16.071 5.815 -1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.566 4.928 -1.226 1.00 0.00 H new ATOM 0 HG2 ARG A 21 18.000 5.732 -3.318 1.00 0.00 H new ATOM 0 HG3 ARG A 21 17.113 4.302 -3.806 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.999 5.704 -3.685 1.00 0.00 H new ATOM 0 HD3 ARG A 21 16.028 7.105 -3.465 1.00 0.00 H new ATOM 0 HE ARG A 21 15.433 5.799 -5.944 1.00 0.00 H new ATOM 0 HH11 ARG A 21 18.098 7.356 -4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 21 18.919 7.840 -5.700 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.475 6.439 -7.822 1.00 0.00 H new ATOM 0 HH22 ARG A 21 18.003 7.323 -7.737 1.00 0.00 H new ATOM 358 N ALA A 22 14.780 4.081 0.442 1.00 0.00 N ATOM 359 CA ALA A 22 14.509 3.867 1.860 1.00 0.00 C ATOM 360 C ALA A 22 14.191 2.415 2.152 1.00 0.00 C ATOM 361 O ALA A 22 14.891 1.757 2.922 1.00 0.00 O ATOM 362 CB ALA A 22 13.379 4.771 2.329 1.00 0.00 C ATOM 0 H ALA A 22 14.225 4.822 0.014 1.00 0.00 H new ATOM 0 HA ALA A 22 15.412 4.123 2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.191 4.598 3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.659 5.813 2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.476 4.551 1.759 1.00 0.00 H new ATOM 368 N LEU A 23 13.144 1.914 1.532 1.00 0.00 N ATOM 369 CA LEU A 23 12.757 0.528 1.727 1.00 0.00 C ATOM 370 C LEU A 23 13.842 -0.390 1.187 1.00 0.00 C ATOM 371 O LEU A 23 14.027 -1.507 1.669 1.00 0.00 O ATOM 372 CB LEU A 23 11.412 0.233 1.066 1.00 0.00 C ATOM 373 CG LEU A 23 10.265 -0.033 2.043 1.00 0.00 C ATOM 374 CD1 LEU A 23 8.978 -0.330 1.291 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.613 -1.183 2.981 1.00 0.00 C ATOM 0 H LEU A 23 12.548 2.439 0.893 1.00 0.00 H new ATOM 0 HA LEU A 23 12.642 0.346 2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.142 1.076 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.525 -0.634 0.415 1.00 0.00 H new ATOM 0 HG LEU A 23 10.113 0.865 2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.175 -0.516 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.717 0.523 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.118 -1.210 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.784 -1.356 3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.796 -2.086 2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.508 -0.931 3.549 1.00 0.00 H new ATOM 387 N ALA A 24 14.585 0.102 0.203 1.00 0.00 N ATOM 388 CA ALA A 24 15.673 -0.670 -0.364 1.00 0.00 C ATOM 389 C ALA A 24 16.731 -0.891 0.702 1.00 0.00 C ATOM 390 O ALA A 24 17.361 -1.946 0.761 1.00 0.00 O ATOM 391 CB ALA A 24 16.268 0.027 -1.580 1.00 0.00 C ATOM 0 H ALA A 24 14.453 1.024 -0.213 1.00 0.00 H new ATOM 0 HA ALA A 24 15.289 -1.633 -0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.082 -0.576 -1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.498 0.152 -2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.651 1.005 -1.288 1.00 0.00 H new ATOM 397 N GLY A 25 16.905 0.109 1.565 1.00 0.00 N ATOM 398 CA GLY A 25 17.864 -0.013 2.638 1.00 0.00 C ATOM 399 C GLY A 25 17.452 -1.088 3.622 1.00 0.00 C ATOM 400 O GLY A 25 18.292 -1.675 4.303 1.00 0.00 O ATOM 0 H GLY A 25 16.399 0.994 1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.845 -0.250 2.227 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.957 0.941 3.156 1.00 0.00 H new ATOM 404 N ALA A 26 16.147 -1.355 3.684 1.00 0.00 N ATOM 405 CA ALA A 26 15.615 -2.371 4.575 1.00 0.00 C ATOM 406 C ALA A 26 15.862 -3.772 4.020 1.00 0.00 C ATOM 407 O ALA A 26 15.760 -4.762 4.745 1.00 0.00 O ATOM 408 CB ALA A 26 14.130 -2.140 4.820 1.00 0.00 C ATOM 0 H ALA A 26 15.442 -0.877 3.123 1.00 0.00 H new ATOM 0 HA ALA A 26 16.137 -2.294 5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.748 -2.910 5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 26 13.984 -1.160 5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 26 13.594 -2.184 3.872 1.00 0.00 H new ATOM 414 N GLY A 27 16.204 -3.852 2.733 1.00 0.00 N ATOM 415 CA GLY A 27 16.481 -5.139 2.122 1.00 0.00 C ATOM 416 C GLY A 27 15.325 -5.701 1.313 1.00 0.00 C ATOM 417 O GLY A 27 15.212 -6.919 1.166 1.00 0.00 O ATOM 0 H GLY A 27 16.293 -3.051 2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.351 -5.042 1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.744 -5.852 2.904 1.00 0.00 H new ATOM 421 N LEU A 28 14.456 -4.837 0.791 1.00 0.00 N ATOM 422 CA LEU A 28 13.318 -5.305 0.010 1.00 0.00 C ATOM 423 C LEU A 28 13.256 -4.650 -1.365 1.00 0.00 C ATOM 424 O LEU A 28 14.006 -3.722 -1.664 1.00 0.00 O ATOM 425 CB LEU A 28 12.009 -5.042 0.754 1.00 0.00 C ATOM 426 CG LEU A 28 12.136 -4.894 2.269 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.421 -3.453 2.635 1.00 0.00 C ATOM 428 CD2 LEU A 28 10.876 -5.389 2.961 1.00 0.00 C ATOM 0 H LEU A 28 14.518 -3.824 0.894 1.00 0.00 H new ATOM 0 HA LEU A 28 13.453 -6.377 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.559 -4.134 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.320 -5.859 0.542 1.00 0.00 H new ATOM 0 HG LEU A 28 12.972 -5.505 2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.509 -3.363 3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.354 -3.137 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.606 -2.820 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.985 -5.276 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.020 -4.806 2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.718 -6.440 2.721 1.00 0.00 H new ATOM 440 N THR A 29 12.337 -5.143 -2.190 1.00 0.00 N ATOM 441 CA THR A 29 12.143 -4.615 -3.532 1.00 0.00 C ATOM 442 C THR A 29 10.962 -3.647 -3.552 1.00 0.00 C ATOM 443 O THR A 29 9.805 -4.060 -3.481 1.00 0.00 O ATOM 444 CB THR A 29 11.913 -5.764 -4.520 1.00 0.00 C ATOM 445 OG1 THR A 29 13.097 -6.522 -4.687 1.00 0.00 O ATOM 446 CG2 THR A 29 11.467 -5.303 -5.890 1.00 0.00 C ATOM 0 H THR A 29 11.712 -5.912 -1.948 1.00 0.00 H new ATOM 0 HA THR A 29 13.039 -4.072 -3.832 1.00 0.00 H new ATOM 0 HB THR A 29 11.115 -6.363 -4.082 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.932 -7.252 -5.319 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.324 -6.169 -6.536 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.528 -4.756 -5.802 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.228 -4.651 -6.320 1.00 0.00 H new ATOM 454 N CYS A 30 11.266 -2.355 -3.637 1.00 0.00 N ATOM 455 CA CYS A 30 10.232 -1.327 -3.647 1.00 0.00 C ATOM 456 C CYS A 30 9.951 -0.812 -5.052 1.00 0.00 C ATOM 457 O CYS A 30 10.774 -0.118 -5.651 1.00 0.00 O ATOM 458 CB CYS A 30 10.641 -0.162 -2.749 1.00 0.00 C ATOM 459 SG CYS A 30 9.282 0.957 -2.338 1.00 0.00 S ATOM 0 H CYS A 30 12.219 -1.996 -3.700 1.00 0.00 H new ATOM 0 HA CYS A 30 9.318 -1.784 -3.269 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.064 -0.558 -1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.429 0.406 -3.243 1.00 0.00 H new ATOM 0 HG CYS A 30 9.459 2.095 -2.941 1.00 0.00 H new ATOM 465 N THR A 31 8.767 -1.130 -5.557 1.00 0.00 N ATOM 466 CA THR A 31 8.350 -0.679 -6.876 1.00 0.00 C ATOM 467 C THR A 31 7.083 0.158 -6.735 1.00 0.00 C ATOM 468 O THR A 31 6.354 0.024 -5.750 1.00 0.00 O ATOM 469 CB THR A 31 8.101 -1.864 -7.820 1.00 0.00 C ATOM 470 OG1 THR A 31 8.170 -1.448 -9.171 1.00 0.00 O ATOM 471 CG2 THR A 31 6.748 -2.501 -7.629 1.00 0.00 C ATOM 0 H THR A 31 8.076 -1.701 -5.070 1.00 0.00 H new ATOM 0 HA THR A 31 9.148 -0.077 -7.310 1.00 0.00 H new ATOM 0 HB THR A 31 8.877 -2.591 -7.579 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.011 -2.216 -9.758 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.635 -3.331 -8.326 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.661 -2.870 -6.607 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.968 -1.762 -7.816 1.00 0.00 H new ATOM 479 N THR A 32 6.825 1.026 -7.700 1.00 0.00 N ATOM 480 CA THR A 32 5.649 1.875 -7.643 1.00 0.00 C ATOM 481 C THR A 32 4.848 1.831 -8.940 1.00 0.00 C ATOM 482 O THR A 32 5.341 1.398 -9.981 1.00 0.00 O ATOM 483 CB THR A 32 6.058 3.297 -7.299 1.00 0.00 C ATOM 484 OG1 THR A 32 6.856 3.858 -8.325 1.00 0.00 O ATOM 485 CG2 THR A 32 6.839 3.364 -6.005 1.00 0.00 C ATOM 0 H THR A 32 7.409 1.160 -8.525 1.00 0.00 H new ATOM 0 HA THR A 32 4.994 1.494 -6.859 1.00 0.00 H new ATOM 0 HB THR A 32 5.133 3.863 -7.190 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.319 3.959 -9.139 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.111 4.399 -5.797 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.226 2.979 -5.190 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.743 2.762 -6.094 1.00 0.00 H new ATOM 493 N PHE A 33 3.596 2.260 -8.851 1.00 0.00 N ATOM 494 CA PHE A 33 2.692 2.253 -9.991 1.00 0.00 C ATOM 495 C PHE A 33 2.016 3.614 -10.182 1.00 0.00 C ATOM 496 O PHE A 33 2.209 4.530 -9.383 1.00 0.00 O ATOM 497 CB PHE A 33 1.650 1.151 -9.835 1.00 0.00 C ATOM 498 CG PHE A 33 2.241 -0.229 -9.725 1.00 0.00 C ATOM 499 CD1 PHE A 33 3.047 -0.563 -8.651 1.00 0.00 C ATOM 500 CD2 PHE A 33 1.999 -1.189 -10.693 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.599 -1.822 -8.543 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.548 -2.452 -10.592 1.00 0.00 C ATOM 503 CZ PHE A 33 3.351 -2.771 -9.518 1.00 0.00 C ATOM 0 H PHE A 33 3.181 2.620 -7.992 1.00 0.00 H new ATOM 0 HA PHE A 33 3.283 2.053 -10.885 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.051 1.352 -8.947 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.973 1.180 -10.689 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.247 0.173 -7.886 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.372 -0.947 -11.539 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.225 -2.067 -7.697 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.348 -3.190 -11.355 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.784 -3.757 -9.438 1.00 0.00 H new ATOM 513 N GLU A 34 1.264 3.744 -11.275 1.00 0.00 N ATOM 514 CA GLU A 34 0.590 4.997 -11.631 1.00 0.00 C ATOM 515 C GLU A 34 -0.407 5.480 -10.577 1.00 0.00 C ATOM 516 O GLU A 34 -0.359 6.641 -10.172 1.00 0.00 O ATOM 517 CB GLU A 34 -0.155 4.814 -12.955 1.00 0.00 C ATOM 518 CG GLU A 34 -1.146 3.657 -12.933 1.00 0.00 C ATOM 519 CD GLU A 34 -2.568 4.091 -12.641 1.00 0.00 C ATOM 520 OE1 GLU A 34 -2.930 5.230 -13.000 1.00 0.00 O ATOM 521 OE2 GLU A 34 -3.321 3.283 -12.050 1.00 0.00 O ATOM 0 H GLU A 34 1.104 2.986 -11.939 1.00 0.00 H new ATOM 0 HA GLU A 34 1.371 5.754 -11.708 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.687 5.735 -13.195 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.570 4.648 -13.752 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.120 3.147 -13.896 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.833 2.934 -12.180 1.00 0.00 H new ATOM 528 N ASN A 35 -1.326 4.618 -10.147 1.00 0.00 N ATOM 529 CA ASN A 35 -2.322 5.030 -9.170 1.00 0.00 C ATOM 530 C ASN A 35 -2.787 3.883 -8.294 1.00 0.00 C ATOM 531 O ASN A 35 -2.473 3.832 -7.102 1.00 0.00 O ATOM 532 CB ASN A 35 -3.526 5.651 -9.882 1.00 0.00 C ATOM 533 CG ASN A 35 -4.019 6.907 -9.196 1.00 0.00 C ATOM 534 OD1 ASN A 35 -5.025 6.890 -8.490 1.00 0.00 O ATOM 535 ND2 ASN A 35 -3.311 8.008 -9.402 1.00 0.00 N ATOM 0 H ASN A 35 -1.399 3.648 -10.455 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.847 5.766 -8.521 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.254 5.885 -10.911 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.335 4.922 -9.924 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.595 8.886 -8.967 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.482 7.978 -9.996 1.00 0.00 H new ATOM 542 N GLY A 36 -3.555 2.983 -8.876 1.00 0.00 N ATOM 543 CA GLY A 36 -4.075 1.864 -8.119 1.00 0.00 C ATOM 544 C GLY A 36 -4.367 0.641 -8.963 1.00 0.00 C ATOM 545 O GLY A 36 -4.073 -0.478 -8.550 1.00 0.00 O ATOM 0 H GLY A 36 -3.830 3.004 -9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.357 1.596 -7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.990 2.173 -7.614 1.00 0.00 H new ATOM 549 N ASN A 37 -4.960 0.849 -10.138 1.00 0.00 N ATOM 550 CA ASN A 37 -5.307 -0.260 -11.020 1.00 0.00 C ATOM 551 C ASN A 37 -4.063 -0.939 -11.572 1.00 0.00 C ATOM 552 O ASN A 37 -4.065 -2.140 -11.837 1.00 0.00 O ATOM 553 CB ASN A 37 -6.201 0.221 -12.164 1.00 0.00 C ATOM 554 CG ASN A 37 -7.646 -0.208 -11.981 1.00 0.00 C ATOM 555 OD1 ASN A 37 -8.137 -0.135 -10.746 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -8.315 -0.603 -12.937 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.208 1.770 -10.498 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.857 -0.993 -10.429 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.152 1.308 -12.229 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.824 -0.172 -13.108 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.900 -0.643 -13.868 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.284 -0.890 -12.798 1.00 0.00 H new ATOM 563 N GLU A 38 -3.004 -0.163 -11.740 1.00 0.00 N ATOM 564 CA GLU A 38 -1.752 -0.688 -12.257 1.00 0.00 C ATOM 565 C GLU A 38 -1.290 -1.919 -11.479 1.00 0.00 C ATOM 566 O GLU A 38 -1.135 -2.994 -12.057 1.00 0.00 O ATOM 567 CB GLU A 38 -0.686 0.393 -12.203 1.00 0.00 C ATOM 568 CG GLU A 38 0.411 0.246 -13.245 1.00 0.00 C ATOM 569 CD GLU A 38 0.191 1.131 -14.455 1.00 0.00 C ATOM 570 OE1 GLU A 38 -0.896 1.046 -15.062 1.00 0.00 O ATOM 571 OE2 GLU A 38 1.105 1.913 -14.792 1.00 0.00 O ATOM 0 H GLU A 38 -2.987 0.834 -11.525 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.915 -0.995 -13.290 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.164 1.364 -12.331 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.232 0.389 -11.212 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.372 0.490 -12.792 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.465 -0.794 -13.566 1.00 0.00 H new ATOM 578 N VAL A 39 -1.063 -1.777 -10.168 1.00 0.00 N ATOM 579 CA VAL A 39 -0.611 -2.925 -9.379 1.00 0.00 C ATOM 580 C VAL A 39 -1.585 -4.086 -9.539 1.00 0.00 C ATOM 581 O VAL A 39 -1.174 -5.233 -9.687 1.00 0.00 O ATOM 582 CB VAL A 39 -0.448 -2.626 -7.873 1.00 0.00 C ATOM 583 CG1 VAL A 39 0.673 -3.476 -7.295 1.00 0.00 C ATOM 584 CG2 VAL A 39 -0.185 -1.158 -7.621 1.00 0.00 C ATOM 0 H VAL A 39 -1.180 -0.909 -9.646 1.00 0.00 H new ATOM 0 HA VAL A 39 0.376 -3.178 -9.767 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.384 -2.879 -7.375 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.783 -3.260 -6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.435 -4.531 -7.428 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.606 -3.247 -7.810 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.076 -0.986 -6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.731 -0.860 -8.131 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.020 -0.569 -8.000 1.00 0.00 H new ATOM 594 N LEU A 40 -2.878 -3.777 -9.528 1.00 0.00 N ATOM 595 CA LEU A 40 -3.904 -4.803 -9.693 1.00 0.00 C ATOM 596 C LEU A 40 -3.631 -5.609 -10.957 1.00 0.00 C ATOM 597 O LEU A 40 -3.755 -6.835 -10.974 1.00 0.00 O ATOM 598 CB LEU A 40 -5.295 -4.167 -9.766 1.00 0.00 C ATOM 599 CG LEU A 40 -5.527 -2.978 -8.821 1.00 0.00 C ATOM 600 CD1 LEU A 40 -6.990 -2.562 -8.815 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.080 -3.310 -7.405 1.00 0.00 C ATOM 0 H LEU A 40 -3.239 -2.831 -9.407 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.874 -5.468 -8.830 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.471 -3.835 -10.789 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.038 -4.934 -9.547 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.928 -2.146 -9.191 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.126 -1.719 -8.138 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.290 -2.271 -9.822 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.605 -3.398 -8.481 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.256 -2.451 -6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.647 -4.165 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.017 -3.552 -7.406 1.00 0.00 H new ATOM 613 N ALA A 41 -3.243 -4.903 -12.012 1.00 0.00 N ATOM 614 CA ALA A 41 -2.929 -5.532 -13.287 1.00 0.00 C ATOM 615 C ALA A 41 -1.717 -6.442 -13.154 1.00 0.00 C ATOM 616 O ALA A 41 -1.731 -7.591 -13.593 1.00 0.00 O ATOM 617 CB ALA A 41 -2.679 -4.471 -14.347 1.00 0.00 C ATOM 0 H ALA A 41 -3.138 -3.888 -12.008 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.781 -6.140 -13.591 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.445 -4.953 -15.296 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.571 -3.855 -14.463 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.842 -3.843 -14.043 1.00 0.00 H new ATOM 623 N ALA A 42 -0.675 -5.910 -12.536 1.00 0.00 N ATOM 624 CA ALA A 42 0.560 -6.654 -12.326 1.00 0.00 C ATOM 625 C ALA A 42 0.365 -7.747 -11.284 1.00 0.00 C ATOM 626 O ALA A 42 1.063 -8.762 -11.292 1.00 0.00 O ATOM 627 CB ALA A 42 1.686 -5.712 -11.912 1.00 0.00 C ATOM 0 H ALA A 42 -0.659 -4.959 -12.168 1.00 0.00 H new ATOM 0 HA ALA A 42 0.835 -7.130 -13.267 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.601 -6.284 -11.759 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.847 -4.971 -12.695 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.415 -5.206 -10.985 1.00 0.00 H new ATOM 633 N LEU A 43 -0.586 -7.531 -10.385 1.00 0.00 N ATOM 634 CA LEU A 43 -0.880 -8.485 -9.328 1.00 0.00 C ATOM 635 C LEU A 43 -1.527 -9.747 -9.878 1.00 0.00 C ATOM 636 O LEU A 43 -1.468 -10.806 -9.254 1.00 0.00 O ATOM 637 CB LEU A 43 -1.786 -7.838 -8.289 1.00 0.00 C ATOM 638 CG LEU A 43 -1.041 -7.071 -7.201 1.00 0.00 C ATOM 639 CD1 LEU A 43 -1.776 -5.795 -6.839 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.854 -7.952 -5.979 1.00 0.00 C ATOM 0 H LEU A 43 -1.171 -6.695 -10.369 1.00 0.00 H new ATOM 0 HA LEU A 43 0.061 -8.774 -8.861 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.471 -7.157 -8.794 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.394 -8.612 -7.821 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.059 -6.792 -7.583 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.225 -5.266 -6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.859 -5.160 -7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.773 -6.041 -6.474 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.321 -7.396 -5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.829 -8.258 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.278 -8.836 -6.252 1.00 0.00 H new ATOM 652 N ALA A 44 -2.134 -9.636 -11.052 1.00 0.00 N ATOM 653 CA ALA A 44 -2.779 -10.779 -11.685 1.00 0.00 C ATOM 654 C ALA A 44 -1.806 -11.945 -11.820 1.00 0.00 C ATOM 655 O ALA A 44 -2.214 -13.100 -11.940 1.00 0.00 O ATOM 656 CB ALA A 44 -3.330 -10.387 -13.048 1.00 0.00 C ATOM 0 H ALA A 44 -2.193 -8.768 -11.585 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.607 -11.098 -11.052 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.809 -11.251 -13.509 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.061 -9.587 -12.929 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.515 -10.041 -13.684 1.00 0.00 H new ATOM 662 N SER A 45 -0.516 -11.629 -11.798 1.00 0.00 N ATOM 663 CA SER A 45 0.520 -12.635 -11.916 1.00 0.00 C ATOM 664 C SER A 45 1.578 -12.485 -10.822 1.00 0.00 C ATOM 665 O SER A 45 2.555 -13.234 -10.798 1.00 0.00 O ATOM 666 CB SER A 45 1.176 -12.558 -13.295 1.00 0.00 C ATOM 667 OG SER A 45 0.716 -13.600 -14.137 1.00 0.00 O ATOM 0 H SER A 45 -0.166 -10.676 -11.699 1.00 0.00 H new ATOM 0 HA SER A 45 0.050 -13.611 -11.794 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.957 -11.593 -13.752 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.259 -12.622 -13.190 1.00 0.00 H new ATOM 0 HG SER A 45 1.149 -13.528 -15.013 1.00 0.00 H new ATOM 673 N LYS A 46 1.390 -11.526 -9.914 1.00 0.00 N ATOM 674 CA LYS A 46 2.346 -11.316 -8.841 1.00 0.00 C ATOM 675 C LYS A 46 1.660 -11.053 -7.513 1.00 0.00 C ATOM 676 O LYS A 46 0.492 -10.668 -7.457 1.00 0.00 O ATOM 677 CB LYS A 46 3.271 -10.142 -9.144 1.00 0.00 C ATOM 678 CG LYS A 46 4.580 -10.189 -8.373 1.00 0.00 C ATOM 679 CD LYS A 46 5.601 -11.030 -9.094 1.00 0.00 C ATOM 680 CE LYS A 46 6.973 -10.928 -8.449 1.00 0.00 C ATOM 681 NZ LYS A 46 7.433 -12.240 -7.917 1.00 0.00 N ATOM 0 H LYS A 46 0.591 -10.892 -9.905 1.00 0.00 H new ATOM 0 HA LYS A 46 2.926 -12.236 -8.769 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.488 -10.126 -10.212 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.753 -9.212 -8.910 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.965 -9.178 -8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.405 -10.597 -7.377 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.277 -12.071 -9.097 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.664 -10.712 -10.135 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.692 -10.560 -9.181 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.941 -10.199 -7.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.372 -12.129 -7.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.760 -12.579 -7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.488 -12.929 -8.694 1.00 0.00 H new ATOM 695 N THR A 47 2.424 -11.233 -6.448 1.00 0.00 N ATOM 696 CA THR A 47 1.940 -10.986 -5.105 1.00 0.00 C ATOM 697 C THR A 47 3.013 -10.302 -4.263 1.00 0.00 C ATOM 698 O THR A 47 4.024 -10.916 -3.920 1.00 0.00 O ATOM 699 CB THR A 47 1.506 -12.289 -4.432 1.00 0.00 C ATOM 700 OG1 THR A 47 0.546 -12.963 -5.225 1.00 0.00 O ATOM 701 CG2 THR A 47 0.903 -12.083 -3.058 1.00 0.00 C ATOM 0 H THR A 47 3.392 -11.553 -6.492 1.00 0.00 H new ATOM 0 HA THR A 47 1.075 -10.327 -5.179 1.00 0.00 H new ATOM 0 HB THR A 47 2.417 -12.878 -4.325 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.281 -13.795 -4.780 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.617 -13.047 -2.638 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.636 -11.606 -2.407 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.022 -11.447 -3.139 1.00 0.00 H new ATOM 709 N PRO A 48 2.806 -9.026 -3.899 1.00 0.00 N ATOM 710 CA PRO A 48 3.757 -8.286 -3.082 1.00 0.00 C ATOM 711 C PRO A 48 3.598 -8.622 -1.609 1.00 0.00 C ATOM 712 O PRO A 48 2.518 -9.014 -1.166 1.00 0.00 O ATOM 713 CB PRO A 48 3.388 -6.831 -3.351 1.00 0.00 C ATOM 714 CG PRO A 48 1.929 -6.856 -3.663 1.00 0.00 C ATOM 715 CD PRO A 48 1.630 -8.213 -4.253 1.00 0.00 C ATOM 0 HA PRO A 48 4.794 -8.519 -3.323 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.596 -6.204 -2.484 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.963 -6.425 -4.183 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.339 -6.688 -2.762 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.671 -6.064 -4.366 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.714 -8.635 -3.838 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.495 -8.157 -5.333 1.00 0.00 H new ATOM 723 N ASP A 49 4.674 -8.479 -0.852 1.00 0.00 N ATOM 724 CA ASP A 49 4.639 -8.783 0.568 1.00 0.00 C ATOM 725 C ASP A 49 3.896 -7.698 1.343 1.00 0.00 C ATOM 726 O ASP A 49 3.280 -7.974 2.372 1.00 0.00 O ATOM 727 CB ASP A 49 6.057 -8.945 1.115 1.00 0.00 C ATOM 728 CG ASP A 49 6.783 -10.131 0.510 1.00 0.00 C ATOM 729 OD1 ASP A 49 7.095 -10.083 -0.699 1.00 0.00 O ATOM 730 OD2 ASP A 49 7.044 -11.106 1.245 1.00 0.00 O ATOM 0 H ASP A 49 5.578 -8.156 -1.196 1.00 0.00 H new ATOM 0 HA ASP A 49 4.102 -9.723 0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.625 -8.036 0.917 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.014 -9.064 2.198 1.00 0.00 H new ATOM 735 N VAL A 50 3.966 -6.462 0.854 1.00 0.00 N ATOM 736 CA VAL A 50 3.304 -5.348 1.521 1.00 0.00 C ATOM 737 C VAL A 50 2.896 -4.256 0.523 1.00 0.00 C ATOM 738 O VAL A 50 3.735 -3.489 0.046 1.00 0.00 O ATOM 739 CB VAL A 50 4.228 -4.753 2.591 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.507 -4.246 1.950 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.520 -3.655 3.359 1.00 0.00 C ATOM 0 H VAL A 50 4.471 -6.209 0.005 1.00 0.00 H new ATOM 0 HA VAL A 50 2.398 -5.732 1.991 1.00 0.00 H new ATOM 0 HB VAL A 50 4.492 -5.533 3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.157 -3.825 2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.018 -5.072 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.266 -3.476 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.193 -3.246 4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.222 -2.864 2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.635 -4.064 3.846 1.00 0.00 H new ATOM 751 N LEU A 51 1.603 -4.203 0.201 1.00 0.00 N ATOM 752 CA LEU A 51 1.087 -3.220 -0.754 1.00 0.00 C ATOM 753 C LEU A 51 0.705 -1.891 -0.093 1.00 0.00 C ATOM 754 O LEU A 51 -0.007 -1.860 0.911 1.00 0.00 O ATOM 755 CB LEU A 51 -0.111 -3.809 -1.510 1.00 0.00 C ATOM 756 CG LEU A 51 -0.398 -3.201 -2.888 1.00 0.00 C ATOM 757 CD1 LEU A 51 0.865 -3.185 -3.738 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.508 -3.974 -3.600 1.00 0.00 C ATOM 0 H LEU A 51 0.895 -4.828 0.586 1.00 0.00 H new ATOM 0 HA LEU A 51 1.891 -2.997 -1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.053 -4.880 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.000 -3.692 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.733 -2.174 -2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.642 -2.750 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.630 -2.589 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.228 -4.204 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.695 -3.526 -4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.202 -5.012 -3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.419 -3.936 -3.002 1.00 0.00 H new ATOM 770 N LEU A 52 1.180 -0.792 -0.684 1.00 0.00 N ATOM 771 CA LEU A 52 0.897 0.554 -0.182 1.00 0.00 C ATOM 772 C LEU A 52 0.065 1.341 -1.200 1.00 0.00 C ATOM 773 O LEU A 52 0.441 1.435 -2.369 1.00 0.00 O ATOM 774 CB LEU A 52 2.212 1.298 0.079 1.00 0.00 C ATOM 775 CG LEU A 52 2.384 1.919 1.469 1.00 0.00 C ATOM 776 CD1 LEU A 52 3.832 2.344 1.670 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.459 3.114 1.644 1.00 0.00 C ATOM 0 H LEU A 52 1.767 -0.809 -1.518 1.00 0.00 H new ATOM 0 HA LEU A 52 0.333 0.466 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.035 0.604 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.308 2.091 -0.663 1.00 0.00 H new ATOM 0 HG LEU A 52 2.122 1.171 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.948 2.785 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.482 1.474 1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.104 3.078 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.598 3.539 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.691 3.867 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.424 2.793 1.528 1.00 0.00 H new ATOM 789 N SER A 53 -1.058 1.906 -0.761 1.00 0.00 N ATOM 790 CA SER A 53 -1.924 2.680 -1.653 1.00 0.00 C ATOM 791 C SER A 53 -1.844 4.179 -1.332 1.00 0.00 C ATOM 792 O SER A 53 -1.832 4.575 -0.167 1.00 0.00 O ATOM 793 CB SER A 53 -3.364 2.180 -1.551 1.00 0.00 C ATOM 794 OG SER A 53 -3.756 1.511 -2.738 1.00 0.00 O ATOM 0 H SER A 53 -1.390 1.844 0.202 1.00 0.00 H new ATOM 0 HA SER A 53 -1.578 2.540 -2.677 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.459 1.505 -0.701 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.032 3.021 -1.366 1.00 0.00 H new ATOM 0 HG SER A 53 -2.975 1.080 -3.144 1.00 0.00 H new ATOM 800 N ASP A 54 -1.759 5.002 -2.381 1.00 0.00 N ATOM 801 CA ASP A 54 -1.641 6.457 -2.226 1.00 0.00 C ATOM 802 C ASP A 54 -2.974 7.142 -1.931 1.00 0.00 C ATOM 803 O ASP A 54 -2.995 8.258 -1.413 1.00 0.00 O ATOM 804 CB ASP A 54 -1.039 7.064 -3.489 1.00 0.00 C ATOM 805 CG ASP A 54 -1.934 6.881 -4.698 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.706 5.899 -4.719 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.866 7.717 -5.623 1.00 0.00 O ATOM 0 H ASP A 54 -1.770 4.685 -3.350 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.993 6.625 -1.366 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.861 8.127 -3.329 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.070 6.604 -3.684 1.00 0.00 H new ATOM 812 N ILE A 55 -4.076 6.486 -2.272 1.00 0.00 N ATOM 813 CA ILE A 55 -5.414 7.046 -2.045 1.00 0.00 C ATOM 814 C ILE A 55 -5.496 8.520 -2.460 1.00 0.00 C ATOM 815 O ILE A 55 -5.306 9.417 -1.640 1.00 0.00 O ATOM 816 CB ILE A 55 -5.845 6.893 -0.561 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.162 7.621 -0.276 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.772 7.402 0.383 1.00 0.00 C ATOM 819 CD1 ILE A 55 -8.174 6.758 0.446 1.00 0.00 C ATOM 0 H ILE A 55 -4.076 5.564 -2.708 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.100 6.477 -2.672 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.991 5.827 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.957 8.508 0.323 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.592 7.964 -1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.106 7.280 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.854 6.835 0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.584 8.457 0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.085 7.332 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.406 5.883 -0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.762 6.436 1.402 1.00 0.00 H new ATOM 831 N ARG A 56 -5.791 8.764 -3.740 1.00 0.00 N ATOM 832 CA ARG A 56 -5.904 10.132 -4.245 1.00 0.00 C ATOM 833 C ARG A 56 -6.941 10.241 -5.369 1.00 0.00 C ATOM 834 O ARG A 56 -6.637 10.706 -6.467 1.00 0.00 O ATOM 835 CB ARG A 56 -4.544 10.653 -4.725 1.00 0.00 C ATOM 836 CG ARG A 56 -3.953 9.880 -5.894 1.00 0.00 C ATOM 837 CD ARG A 56 -2.639 10.494 -6.357 1.00 0.00 C ATOM 838 NE ARG A 56 -2.543 10.562 -7.815 1.00 0.00 N ATOM 839 CZ ARG A 56 -2.947 11.605 -8.540 1.00 0.00 C ATOM 840 NH1 ARG A 56 -3.475 12.670 -7.950 1.00 0.00 N ATOM 841 NH2 ARG A 56 -2.825 11.585 -9.860 1.00 0.00 N ATOM 0 H ARG A 56 -5.954 8.039 -4.438 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.244 10.752 -3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.650 11.699 -5.013 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.842 10.622 -3.892 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.789 8.843 -5.601 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.663 9.869 -6.721 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.542 11.497 -5.941 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.808 9.906 -5.967 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.143 9.763 -8.307 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.574 12.694 -6.935 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.782 13.464 -8.511 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.421 10.770 -10.323 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.135 12.384 -10.413 1.00 0.00 H new ATOM 855 N MET A 57 -8.170 9.828 -5.074 1.00 0.00 N ATOM 856 CA MET A 57 -9.267 9.897 -6.043 1.00 0.00 C ATOM 857 C MET A 57 -9.019 9.033 -7.285 1.00 0.00 C ATOM 858 O MET A 57 -9.179 9.498 -8.414 1.00 0.00 O ATOM 859 CB MET A 57 -9.514 11.346 -6.461 1.00 0.00 C ATOM 860 CG MET A 57 -10.872 11.560 -7.108 1.00 0.00 C ATOM 861 SD MET A 57 -11.021 13.164 -7.918 1.00 0.00 S ATOM 862 CE MET A 57 -11.960 12.719 -9.377 1.00 0.00 C ATOM 0 H MET A 57 -8.435 9.440 -4.169 1.00 0.00 H new ATOM 0 HA MET A 57 -10.151 9.499 -5.545 1.00 0.00 H new ATOM 0 HB2 MET A 57 -9.431 11.989 -5.585 1.00 0.00 H new ATOM 0 HB3 MET A 57 -8.734 11.654 -7.158 1.00 0.00 H new ATOM 0 HG2 MET A 57 -11.048 10.772 -7.840 1.00 0.00 H new ATOM 0 HG3 MET A 57 -11.649 11.469 -6.349 1.00 0.00 H new ATOM 0 HE1 MET A 57 -12.134 13.608 -9.983 1.00 0.00 H new ATOM 0 HE2 MET A 57 -11.402 11.986 -9.960 1.00 0.00 H new ATOM 0 HE3 MET A 57 -12.917 12.291 -9.077 1.00 0.00 H new ATOM 872 N PRO A 58 -8.656 7.753 -7.098 1.00 0.00 N ATOM 873 CA PRO A 58 -8.428 6.832 -8.211 1.00 0.00 C ATOM 874 C PRO A 58 -9.744 6.333 -8.813 1.00 0.00 C ATOM 875 O PRO A 58 -10.170 6.802 -9.868 1.00 0.00 O ATOM 876 CB PRO A 58 -7.655 5.678 -7.571 1.00 0.00 C ATOM 877 CG PRO A 58 -8.017 5.706 -6.122 1.00 0.00 C ATOM 878 CD PRO A 58 -8.470 7.106 -5.792 1.00 0.00 C ATOM 0 HA PRO A 58 -7.893 7.304 -9.035 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.927 4.725 -8.025 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.581 5.802 -7.709 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.809 4.988 -5.911 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.161 5.426 -5.508 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.397 7.098 -5.218 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.728 7.632 -5.191 1.00 0.00 H new ATOM 886 N GLY A 59 -10.388 5.391 -8.125 1.00 0.00 N ATOM 887 CA GLY A 59 -11.655 4.851 -8.585 1.00 0.00 C ATOM 888 C GLY A 59 -12.776 5.123 -7.597 1.00 0.00 C ATOM 889 O GLY A 59 -13.952 5.109 -7.957 1.00 0.00 O ATOM 0 H GLY A 59 -10.050 4.990 -7.250 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.908 5.289 -9.551 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.558 3.776 -8.738 1.00 0.00 H new ATOM 893 N MET A 60 -12.401 5.382 -6.345 1.00 0.00 N ATOM 894 CA MET A 60 -13.364 5.674 -5.293 1.00 0.00 C ATOM 895 C MET A 60 -12.677 6.368 -4.120 1.00 0.00 C ATOM 896 O MET A 60 -12.554 5.801 -3.029 1.00 0.00 O ATOM 897 CB MET A 60 -14.060 4.399 -4.810 1.00 0.00 C ATOM 898 CG MET A 60 -15.345 4.664 -4.036 1.00 0.00 C ATOM 899 SD MET A 60 -16.575 3.366 -4.259 1.00 0.00 S ATOM 900 CE MET A 60 -17.493 3.495 -2.725 1.00 0.00 C ATOM 0 H MET A 60 -11.429 5.395 -6.037 1.00 0.00 H new ATOM 0 HA MET A 60 -14.120 6.340 -5.709 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.287 3.770 -5.671 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.373 3.837 -4.177 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.112 4.759 -2.975 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.767 5.617 -4.356 1.00 0.00 H new ATOM 0 HE1 MET A 60 -18.443 2.969 -2.824 1.00 0.00 H new ATOM 0 HE2 MET A 60 -16.914 3.049 -1.916 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.681 4.545 -2.501 1.00 0.00 H new ATOM 910 N ASP A 61 -12.225 7.598 -4.364 1.00 0.00 N ATOM 911 CA ASP A 61 -11.549 8.412 -3.348 1.00 0.00 C ATOM 912 C ASP A 61 -10.164 7.872 -2.993 1.00 0.00 C ATOM 913 O ASP A 61 -9.315 8.607 -2.487 1.00 0.00 O ATOM 914 CB ASP A 61 -12.408 8.484 -2.086 1.00 0.00 C ATOM 915 CG ASP A 61 -12.910 9.886 -1.801 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.079 10.759 -1.473 1.00 0.00 O ATOM 917 OD2 ASP A 61 -14.134 10.111 -1.902 1.00 0.00 O ATOM 0 H ASP A 61 -12.316 8.060 -5.269 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.414 9.408 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.260 7.812 -2.192 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.827 8.130 -1.235 1.00 0.00 H new ATOM 922 N GLY A 62 -9.949 6.591 -3.232 1.00 0.00 N ATOM 923 CA GLY A 62 -8.682 5.976 -2.909 1.00 0.00 C ATOM 924 C GLY A 62 -8.891 4.637 -2.257 1.00 0.00 C ATOM 925 O GLY A 62 -8.071 3.732 -2.393 1.00 0.00 O ATOM 0 H GLY A 62 -10.635 5.961 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.089 5.856 -3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.116 6.626 -2.242 1.00 0.00 H new ATOM 929 N LEU A 63 -10.012 4.512 -1.556 1.00 0.00 N ATOM 930 CA LEU A 63 -10.341 3.271 -0.892 1.00 0.00 C ATOM 931 C LEU A 63 -10.727 2.209 -1.919 1.00 0.00 C ATOM 932 O LEU A 63 -10.639 1.011 -1.652 1.00 0.00 O ATOM 933 CB LEU A 63 -11.462 3.476 0.127 1.00 0.00 C ATOM 934 CG LEU A 63 -11.199 4.576 1.159 1.00 0.00 C ATOM 935 CD1 LEU A 63 -11.737 5.912 0.670 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.802 4.206 2.506 1.00 0.00 C ATOM 0 H LEU A 63 -10.701 5.255 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.460 2.926 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.382 3.712 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.632 2.537 0.653 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.121 4.673 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.540 6.680 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.246 6.182 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.812 5.833 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.603 5.001 3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.879 4.074 2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.356 3.277 2.861 1.00 0.00 H new ATOM 948 N ALA A 64 -11.137 2.660 -3.105 1.00 0.00 N ATOM 949 CA ALA A 64 -11.515 1.747 -4.180 1.00 0.00 C ATOM 950 C ALA A 64 -10.401 0.743 -4.460 1.00 0.00 C ATOM 951 O ALA A 64 -10.661 -0.406 -4.814 1.00 0.00 O ATOM 952 CB ALA A 64 -11.850 2.533 -5.440 1.00 0.00 C ATOM 0 H ALA A 64 -11.215 3.649 -3.343 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.398 1.192 -3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.131 1.843 -6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.680 3.209 -5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.979 3.110 -5.751 1.00 0.00 H new ATOM 958 N LEU A 65 -9.159 1.185 -4.295 1.00 0.00 N ATOM 959 CA LEU A 65 -8.007 0.322 -4.524 1.00 0.00 C ATOM 960 C LEU A 65 -8.085 -0.925 -3.653 1.00 0.00 C ATOM 961 O LEU A 65 -7.911 -2.045 -4.130 1.00 0.00 O ATOM 962 CB LEU A 65 -6.712 1.084 -4.231 1.00 0.00 C ATOM 963 CG LEU A 65 -6.020 1.671 -5.461 1.00 0.00 C ATOM 964 CD1 LEU A 65 -6.977 2.561 -6.240 1.00 0.00 C ATOM 965 CD2 LEU A 65 -4.777 2.449 -5.053 1.00 0.00 C ATOM 0 H LEU A 65 -8.925 2.134 -4.004 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.012 0.014 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.933 1.893 -3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.018 0.412 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.714 0.849 -6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.466 2.969 -7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.836 1.975 -6.565 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.315 3.378 -5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.297 2.860 -5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.060 3.262 -4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.083 1.783 -4.541 1.00 0.00 H new ATOM 977 N LEU A 66 -8.353 -0.716 -2.372 1.00 0.00 N ATOM 978 CA LEU A 66 -8.462 -1.811 -1.420 1.00 0.00 C ATOM 979 C LEU A 66 -9.500 -2.826 -1.881 1.00 0.00 C ATOM 980 O LEU A 66 -9.298 -4.035 -1.769 1.00 0.00 O ATOM 981 CB LEU A 66 -8.818 -1.258 -0.042 1.00 0.00 C ATOM 982 CG LEU A 66 -7.803 -0.257 0.523 1.00 0.00 C ATOM 983 CD1 LEU A 66 -8.204 1.158 0.160 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.667 -0.398 2.033 1.00 0.00 C ATOM 0 H LEU A 66 -8.500 0.208 -1.966 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.502 -2.324 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.793 -0.774 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.916 -2.090 0.655 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.832 -0.476 0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.475 1.859 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.238 1.260 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.188 1.375 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.940 0.326 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.633 -0.215 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.331 -1.406 2.275 1.00 0.00 H new ATOM 996 N LYS A 67 -10.604 -2.324 -2.415 1.00 0.00 N ATOM 997 CA LYS A 67 -11.675 -3.181 -2.913 1.00 0.00 C ATOM 998 C LYS A 67 -11.136 -4.199 -3.919 1.00 0.00 C ATOM 999 O LYS A 67 -11.431 -5.390 -3.834 1.00 0.00 O ATOM 1000 CB LYS A 67 -12.770 -2.335 -3.564 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.160 -2.626 -3.019 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.210 -2.647 -4.121 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.279 -1.590 -3.896 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.168 -1.438 -5.080 1.00 0.00 N ATOM 0 H LYS A 67 -10.784 -1.325 -2.516 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.097 -3.723 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.542 -1.280 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.765 -2.512 -4.640 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.154 -3.587 -2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.425 -1.871 -2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.730 -2.480 -5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.675 -3.632 -4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.877 -1.858 -3.025 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.804 -0.635 -3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.883 -0.708 -4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.602 -1.157 -5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.642 -2.343 -5.277 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.347 -3.723 -4.876 1.00 0.00 N ATOM 1019 CA GLN A 68 -9.772 -4.602 -5.888 1.00 0.00 C ATOM 1020 C GLN A 68 -8.688 -5.486 -5.281 1.00 0.00 C ATOM 1021 O GLN A 68 -8.449 -6.600 -5.745 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.165 -3.792 -7.033 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.154 -2.897 -7.758 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.191 -3.681 -8.538 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -11.905 -4.514 -7.980 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -11.277 -3.418 -9.837 1.00 0.00 N ATOM 0 H GLN A 68 -10.092 -2.740 -4.972 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.578 -5.226 -6.275 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.357 -3.176 -6.638 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.720 -4.479 -7.752 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.658 -2.257 -7.033 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.612 -2.241 -8.440 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.665 -2.719 -10.257 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.955 -3.915 -10.414 1.00 0.00 H new ATOM 1035 N ILE A 69 -8.023 -4.969 -4.251 1.00 0.00 N ATOM 1036 CA ILE A 69 -6.950 -5.696 -3.587 1.00 0.00 C ATOM 1037 C ILE A 69 -7.455 -6.981 -2.945 1.00 0.00 C ATOM 1038 O ILE A 69 -6.794 -8.017 -2.998 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.255 -4.815 -2.519 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -5.518 -3.651 -3.189 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.286 -5.639 -1.676 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.339 -2.444 -2.294 1.00 0.00 C ATOM 0 H ILE A 69 -8.211 -4.046 -3.859 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.223 -5.959 -4.355 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.023 -4.413 -1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.538 -3.996 -3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.067 -3.351 -4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.812 -4.996 -0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.831 -6.436 -1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.522 -6.074 -2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.809 -1.663 -2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.316 -2.072 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.763 -2.727 -1.413 1.00 0.00 H new ATOM 1054 N LYS A 70 -8.620 -6.902 -2.337 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.215 -8.049 -1.674 1.00 0.00 C ATOM 1056 C LYS A 70 -9.779 -9.044 -2.680 1.00 0.00 C ATOM 1057 O LYS A 70 -9.844 -10.245 -2.414 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.323 -7.585 -0.731 1.00 0.00 C ATOM 1059 CG LYS A 70 -11.490 -6.947 -1.461 1.00 0.00 C ATOM 1060 CD LYS A 70 -12.450 -6.266 -0.503 1.00 0.00 C ATOM 1061 CE LYS A 70 -13.875 -6.310 -1.029 1.00 0.00 C ATOM 1062 NZ LYS A 70 -14.779 -5.394 -0.280 1.00 0.00 N ATOM 0 H LYS A 70 -9.179 -6.050 -2.287 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.433 -8.551 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.683 -8.437 -0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.911 -6.870 -0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.115 -6.218 -2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.023 -7.709 -2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.404 -6.754 0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.146 -5.230 -0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.879 -6.039 -2.085 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.255 -7.329 -0.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.505 -5.019 -0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.239 -5.916 0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.226 -4.606 0.114 1.00 0.00 H new ATOM 1076 N GLN A 71 -10.207 -8.534 -3.825 1.00 0.00 N ATOM 1077 CA GLN A 71 -10.794 -9.371 -4.861 1.00 0.00 C ATOM 1078 C GLN A 71 -9.748 -9.986 -5.783 1.00 0.00 C ATOM 1079 O GLN A 71 -9.888 -11.132 -6.215 1.00 0.00 O ATOM 1080 CB GLN A 71 -11.796 -8.563 -5.685 1.00 0.00 C ATOM 1081 CG GLN A 71 -13.149 -8.408 -5.011 1.00 0.00 C ATOM 1082 CD GLN A 71 -13.938 -7.233 -5.554 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -15.011 -7.406 -6.133 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -13.407 -6.030 -5.374 1.00 0.00 N ATOM 0 H GLN A 71 -10.159 -7.543 -4.061 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.303 -10.191 -4.354 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.381 -7.574 -5.880 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.934 -9.047 -6.652 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -13.726 -9.323 -5.147 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.004 -8.279 -3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.515 -5.934 -4.888 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.891 -5.202 -5.721 1.00 0.00 H new ATOM 1093 N ARG A 72 -8.719 -9.222 -6.099 1.00 0.00 N ATOM 1094 CA ARG A 72 -7.666 -9.695 -6.997 1.00 0.00 C ATOM 1095 C ARG A 72 -6.476 -10.271 -6.235 1.00 0.00 C ATOM 1096 O ARG A 72 -5.750 -11.119 -6.756 1.00 0.00 O ATOM 1097 CB ARG A 72 -7.197 -8.553 -7.902 1.00 0.00 C ATOM 1098 CG ARG A 72 -8.030 -8.390 -9.164 1.00 0.00 C ATOM 1099 CD ARG A 72 -7.228 -7.730 -10.276 1.00 0.00 C ATOM 1100 NE ARG A 72 -8.088 -7.194 -11.332 1.00 0.00 N ATOM 1101 CZ ARG A 72 -8.241 -7.758 -12.529 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -7.603 -8.882 -12.833 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -9.043 -7.200 -13.428 1.00 0.00 N ATOM 0 H ARG A 72 -8.584 -8.273 -5.751 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.090 -10.496 -7.602 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.222 -7.621 -7.338 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.158 -8.727 -8.183 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.383 -9.366 -9.498 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.913 -7.790 -8.944 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.624 -6.925 -9.858 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.538 -8.457 -10.705 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.602 -6.335 -11.139 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.989 -9.321 -12.147 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.727 -9.306 -13.752 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.542 -6.340 -13.202 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.160 -7.632 -14.345 1.00 0.00 H new ATOM 1117 N HIS A 73 -6.266 -9.800 -5.016 1.00 0.00 N ATOM 1118 CA HIS A 73 -5.144 -10.267 -4.205 1.00 0.00 C ATOM 1119 C HIS A 73 -5.624 -11.166 -3.066 1.00 0.00 C ATOM 1120 O HIS A 73 -6.599 -10.848 -2.386 1.00 0.00 O ATOM 1121 CB HIS A 73 -4.347 -9.084 -3.637 1.00 0.00 C ATOM 1122 CG HIS A 73 -4.360 -7.847 -4.495 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -4.773 -7.647 -5.770 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -3.909 -6.624 -4.055 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -4.572 -6.328 -6.070 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -4.047 -5.732 -5.019 1.00 0.00 N flip ATOM 0 H HIS A 73 -6.852 -9.098 -4.565 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.491 -10.849 -4.855 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.747 -8.832 -2.655 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.313 -9.397 -3.490 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.505 -6.424 -3.074 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.805 -5.854 -7.012 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.790 -4.747 -4.960 1.00 0.00 H new ATOM 1135 N PRO A 74 -4.947 -12.309 -2.840 1.00 0.00 N ATOM 1136 CA PRO A 74 -5.318 -13.253 -1.778 1.00 0.00 C ATOM 1137 C PRO A 74 -5.182 -12.649 -0.383 1.00 0.00 C ATOM 1138 O PRO A 74 -4.198 -12.895 0.312 1.00 0.00 O ATOM 1139 CB PRO A 74 -4.327 -14.415 -1.948 1.00 0.00 C ATOM 1140 CG PRO A 74 -3.753 -14.250 -3.314 1.00 0.00 C ATOM 1141 CD PRO A 74 -3.776 -12.777 -3.599 1.00 0.00 C ATOM 0 HA PRO A 74 -6.363 -13.552 -1.863 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.547 -14.380 -1.187 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.829 -15.377 -1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.736 -14.640 -3.359 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.338 -14.799 -4.052 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.860 -12.288 -3.269 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.879 -12.574 -4.665 1.00 0.00 H new ATOM 1149 N MET A 75 -6.176 -11.859 0.018 1.00 0.00 N ATOM 1150 CA MET A 75 -6.173 -11.222 1.333 1.00 0.00 C ATOM 1151 C MET A 75 -4.849 -10.496 1.582 1.00 0.00 C ATOM 1152 O MET A 75 -4.265 -10.573 2.664 1.00 0.00 O ATOM 1153 CB MET A 75 -6.481 -12.261 2.427 1.00 0.00 C ATOM 1154 CG MET A 75 -5.272 -13.011 2.968 1.00 0.00 C ATOM 1155 SD MET A 75 -5.589 -14.777 3.174 1.00 0.00 S ATOM 1156 CE MET A 75 -4.195 -15.496 2.307 1.00 0.00 C ATOM 0 H MET A 75 -6.995 -11.644 -0.550 1.00 0.00 H new ATOM 0 HA MET A 75 -6.959 -10.468 1.365 1.00 0.00 H new ATOM 0 HB2 MET A 75 -6.976 -11.756 3.256 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.189 -12.987 2.027 1.00 0.00 H new ATOM 0 HG2 MET A 75 -4.430 -12.873 2.290 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.982 -12.583 3.928 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.181 -16.573 2.472 1.00 0.00 H new ATOM 0 HE2 MET A 75 -4.286 -15.293 1.240 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.269 -15.059 2.682 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.388 -9.794 0.553 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.140 -9.045 0.610 1.00 0.00 C ATOM 1168 C LEU A 76 -3.241 -7.849 1.561 1.00 0.00 C ATOM 1169 O LEU A 76 -4.239 -7.128 1.557 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.774 -8.555 -0.793 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.292 -8.254 -1.015 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -0.539 -9.535 -1.343 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -1.115 -7.223 -2.119 1.00 0.00 C ATOM 0 H LEU A 76 -4.870 -9.729 -0.344 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.365 -9.711 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.087 -9.308 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.347 -7.652 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.879 -7.838 -0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.516 -9.307 -1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.640 -10.238 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.952 -9.978 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.053 -7.022 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.540 -7.607 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.625 -6.301 -1.841 1.00 0.00 H new ATOM 1185 N PRO A 77 -2.200 -7.617 2.385 1.00 0.00 N ATOM 1186 CA PRO A 77 -2.177 -6.493 3.330 1.00 0.00 C ATOM 1187 C PRO A 77 -2.109 -5.147 2.614 1.00 0.00 C ATOM 1188 O PRO A 77 -1.216 -4.913 1.798 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.898 -6.729 4.139 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.030 -7.537 3.239 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.963 -8.419 2.458 1.00 0.00 C ATOM 0 HA PRO A 77 -3.079 -6.454 3.940 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.421 -5.787 4.410 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.108 -7.259 5.068 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.550 -6.896 2.575 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.683 -8.131 3.812 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.570 -8.644 1.467 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.130 -9.373 2.959 1.00 0.00 H new ATOM 1199 N VAL A 78 -3.056 -4.266 2.919 1.00 0.00 N ATOM 1200 CA VAL A 78 -3.098 -2.948 2.297 1.00 0.00 C ATOM 1201 C VAL A 78 -2.768 -1.848 3.293 1.00 0.00 C ATOM 1202 O VAL A 78 -3.150 -1.913 4.462 1.00 0.00 O ATOM 1203 CB VAL A 78 -4.473 -2.635 1.691 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -4.366 -1.463 0.732 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -5.050 -3.857 0.992 1.00 0.00 C ATOM 0 H VAL A 78 -3.803 -4.440 3.591 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.349 -2.975 1.505 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.153 -2.363 2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.347 -1.249 0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.004 -0.586 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.670 -1.711 -0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.024 -3.609 0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.378 -4.170 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.161 -4.669 1.711 1.00 0.00 H new ATOM 1215 N ILE A 79 -2.068 -0.831 2.813 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.694 0.300 3.642 1.00 0.00 C ATOM 1217 C ILE A 79 -1.994 1.605 2.922 1.00 0.00 C ATOM 1218 O ILE A 79 -1.387 1.915 1.898 1.00 0.00 O ATOM 1219 CB ILE A 79 -0.203 0.257 4.013 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.158 -1.109 4.600 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.125 1.361 5.004 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.211 -1.850 3.811 1.00 0.00 C ATOM 0 H ILE A 79 -1.747 -0.768 1.847 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.281 0.242 4.558 1.00 0.00 H new ATOM 0 HB ILE A 79 0.386 0.414 3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.511 -0.973 5.622 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.742 -1.721 4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.184 1.319 5.258 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.103 2.329 4.559 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.470 1.228 5.907 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.415 -2.809 4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.853 -2.018 2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.126 -1.258 3.780 1.00 0.00 H new ATOM 1234 N ILE A 80 -2.947 2.357 3.449 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.340 3.621 2.845 1.00 0.00 C ATOM 1236 C ILE A 80 -2.724 4.809 3.589 1.00 0.00 C ATOM 1237 O ILE A 80 -2.591 4.786 4.812 1.00 0.00 O ATOM 1238 CB ILE A 80 -4.872 3.752 2.811 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.501 2.445 2.315 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.276 4.911 1.924 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -5.216 2.155 0.859 1.00 0.00 C ATOM 0 H ILE A 80 -3.463 2.114 4.294 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.963 3.630 1.822 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.235 3.948 3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.130 1.619 2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.580 2.490 2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.363 4.995 1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.847 5.834 2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.910 4.740 0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.691 1.216 0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.612 2.962 0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.139 2.077 0.707 1.00 0.00 H new ATOM 1253 N MET A 81 -2.323 5.835 2.836 1.00 0.00 N ATOM 1254 CA MET A 81 -1.691 7.021 3.418 1.00 0.00 C ATOM 1255 C MET A 81 -2.714 8.026 3.960 1.00 0.00 C ATOM 1256 O MET A 81 -2.382 8.858 4.802 1.00 0.00 O ATOM 1257 CB MET A 81 -0.789 7.695 2.379 1.00 0.00 C ATOM 1258 CG MET A 81 -1.522 8.128 1.119 1.00 0.00 C ATOM 1259 SD MET A 81 -0.592 9.329 0.143 1.00 0.00 S ATOM 1260 CE MET A 81 -0.236 10.582 1.375 1.00 0.00 C ATOM 0 H MET A 81 -2.425 5.869 1.822 1.00 0.00 H new ATOM 0 HA MET A 81 -1.093 6.686 4.265 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.318 8.567 2.832 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.011 7.007 2.105 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.729 7.251 0.506 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.485 8.559 1.395 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.452 11.317 0.958 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.162 11.077 1.669 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.218 10.115 2.249 1.00 0.00 H new ATOM 1270 N THR A 82 -3.952 7.951 3.480 1.00 0.00 N ATOM 1271 CA THR A 82 -5.001 8.864 3.938 1.00 0.00 C ATOM 1272 C THR A 82 -6.369 8.184 3.928 1.00 0.00 C ATOM 1273 O THR A 82 -6.573 7.200 3.224 1.00 0.00 O ATOM 1274 CB THR A 82 -5.035 10.120 3.070 1.00 0.00 C ATOM 1275 OG1 THR A 82 -3.721 10.542 2.753 1.00 0.00 O ATOM 1276 CG2 THR A 82 -5.743 11.282 3.734 1.00 0.00 C ATOM 0 H THR A 82 -4.254 7.274 2.780 1.00 0.00 H new ATOM 0 HA THR A 82 -4.768 9.149 4.964 1.00 0.00 H new ATOM 0 HB THR A 82 -5.588 9.842 2.173 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.761 11.347 2.195 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.733 12.144 3.066 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.774 11.003 3.952 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.232 11.537 4.663 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.302 8.711 4.715 1.00 0.00 N ATOM 1285 CA ALA A 83 -8.645 8.140 4.792 1.00 0.00 C ATOM 1286 C ALA A 83 -9.719 9.230 4.822 1.00 0.00 C ATOM 1287 O ALA A 83 -10.411 9.399 5.827 1.00 0.00 O ATOM 1288 CB ALA A 83 -8.757 7.254 6.024 1.00 0.00 C ATOM 0 H ALA A 83 -7.155 9.529 5.307 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.811 7.540 3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.760 6.830 6.078 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.026 6.448 5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.566 7.848 6.918 1.00 0.00 H new ATOM 1294 N HIS A 84 -9.860 9.974 3.722 1.00 0.00 N ATOM 1295 CA HIS A 84 -10.853 11.043 3.653 1.00 0.00 C ATOM 1296 C HIS A 84 -12.116 10.591 2.918 1.00 0.00 C ATOM 1297 O HIS A 84 -12.065 10.212 1.748 1.00 0.00 O ATOM 1298 CB HIS A 84 -10.258 12.265 2.953 1.00 0.00 C ATOM 1299 CG HIS A 84 -9.719 11.960 1.592 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -8.527 11.448 1.200 1.00 0.00 N flip ATOM 1301 CD2 HIS A 84 -10.438 12.174 0.436 1.00 0.00 C flip ATOM 1302 CE1 HIS A 84 -8.552 11.361 -0.170 1.00 0.00 C flip ATOM 1303 NE2 HIS A 84 -9.716 11.804 -0.603 1.00 0.00 N flip ATOM 0 H HIS A 84 -9.304 9.856 2.875 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.132 11.304 4.674 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.024 13.036 2.869 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.458 12.675 3.570 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.437 12.581 0.389 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.750 10.991 -0.791 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.009 11.852 -1.579 1.00 0.00 H new ATOM 1312 N SER A 85 -13.251 10.650 3.612 1.00 0.00 N ATOM 1313 CA SER A 85 -14.538 10.262 3.033 1.00 0.00 C ATOM 1314 C SER A 85 -14.506 8.834 2.486 1.00 0.00 C ATOM 1315 O SER A 85 -13.439 8.243 2.322 1.00 0.00 O ATOM 1316 CB SER A 85 -14.944 11.239 1.926 1.00 0.00 C ATOM 1317 OG SER A 85 -16.133 11.929 2.268 1.00 0.00 O ATOM 0 H SER A 85 -13.306 10.964 4.581 1.00 0.00 H new ATOM 0 HA SER A 85 -15.279 10.298 3.832 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.140 11.955 1.755 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.090 10.696 0.992 1.00 0.00 H new ATOM 0 HG SER A 85 -16.371 12.548 1.547 1.00 0.00 H new ATOM 1323 N ASP A 86 -15.689 8.290 2.210 1.00 0.00 N ATOM 1324 CA ASP A 86 -15.812 6.931 1.685 1.00 0.00 C ATOM 1325 C ASP A 86 -15.065 5.933 2.565 1.00 0.00 C ATOM 1326 O ASP A 86 -14.626 4.885 2.095 1.00 0.00 O ATOM 1327 CB ASP A 86 -15.277 6.864 0.254 1.00 0.00 C ATOM 1328 CG ASP A 86 -16.120 5.975 -0.638 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -16.053 4.738 -0.480 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -16.847 6.515 -1.500 1.00 0.00 O ATOM 0 H ASP A 86 -16.579 8.771 2.341 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.869 6.666 1.685 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.245 7.869 -0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.253 6.492 0.269 1.00 0.00 H new ATOM 1335 N LEU A 87 -14.928 6.271 3.845 1.00 0.00 N ATOM 1336 CA LEU A 87 -14.235 5.412 4.801 1.00 0.00 C ATOM 1337 C LEU A 87 -14.831 4.006 4.819 1.00 0.00 C ATOM 1338 O LEU A 87 -14.165 3.043 5.207 1.00 0.00 O ATOM 1339 CB LEU A 87 -14.308 6.028 6.201 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.998 6.007 6.989 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.455 4.591 7.093 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.974 6.927 6.343 1.00 0.00 C ATOM 0 H LEU A 87 -15.289 7.137 4.245 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.193 5.332 4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.642 7.062 6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.068 5.497 6.775 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.199 6.369 7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.523 4.599 7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.182 3.959 7.603 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.270 4.198 6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.048 6.900 6.917 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.779 6.595 5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.360 7.946 6.325 1.00 0.00 H new ATOM 1354 N ASP A 88 -16.088 3.900 4.407 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.794 2.620 4.380 1.00 0.00 C ATOM 1356 C ASP A 88 -15.984 1.539 3.664 1.00 0.00 C ATOM 1357 O ASP A 88 -16.021 0.372 4.050 1.00 0.00 O ATOM 1358 CB ASP A 88 -18.153 2.787 3.698 1.00 0.00 C ATOM 1359 CG ASP A 88 -19.232 3.241 4.660 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -19.708 2.405 5.455 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -19.599 4.435 4.621 1.00 0.00 O ATOM 0 H ASP A 88 -16.646 4.691 4.084 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.937 2.300 5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -18.063 3.512 2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -18.448 1.840 3.246 1.00 0.00 H new ATOM 1366 N ALA A 89 -15.262 1.927 2.620 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.459 0.978 1.862 1.00 0.00 C ATOM 1368 C ALA A 89 -13.266 0.483 2.674 1.00 0.00 C ATOM 1369 O ALA A 89 -12.730 -0.594 2.414 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.996 1.603 0.554 1.00 0.00 C ATOM 0 H ALA A 89 -15.216 2.888 2.281 1.00 0.00 H new ATOM 0 HA ALA A 89 -15.085 0.115 1.636 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.397 0.882 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.864 1.888 -0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.395 2.487 0.766 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.858 1.275 3.660 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.729 0.916 4.515 1.00 0.00 C ATOM 1378 C ALA A 90 -12.096 -0.216 5.466 1.00 0.00 C ATOM 1379 O ALA A 90 -11.242 -1.013 5.851 1.00 0.00 O ATOM 1380 CB ALA A 90 -11.254 2.124 5.311 1.00 0.00 C ATOM 0 H ALA A 90 -13.291 2.170 3.888 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.921 0.575 3.868 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.413 1.836 5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.941 2.911 4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.068 2.490 5.937 1.00 0.00 H new ATOM 1386 N VAL A 91 -13.365 -0.274 5.851 1.00 0.00 N ATOM 1387 CA VAL A 91 -13.830 -1.305 6.767 1.00 0.00 C ATOM 1388 C VAL A 91 -13.759 -2.688 6.129 1.00 0.00 C ATOM 1389 O VAL A 91 -13.262 -3.635 6.739 1.00 0.00 O ATOM 1390 CB VAL A 91 -15.263 -1.040 7.255 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -15.578 -1.919 8.457 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -15.454 0.433 7.598 1.00 0.00 C ATOM 0 H VAL A 91 -14.087 0.378 5.544 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.162 -1.274 7.628 1.00 0.00 H new ATOM 0 HB VAL A 91 -15.955 -1.290 6.451 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -16.596 -1.723 8.794 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -15.485 -2.968 8.175 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -14.879 -1.697 9.263 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -16.475 0.597 7.941 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.757 0.716 8.386 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -15.267 1.040 6.712 1.00 0.00 H new ATOM 1402 N SER A 92 -14.243 -2.801 4.895 1.00 0.00 N ATOM 1403 CA SER A 92 -14.214 -4.077 4.184 1.00 0.00 C ATOM 1404 C SER A 92 -12.779 -4.582 4.072 1.00 0.00 C ATOM 1405 O SER A 92 -12.507 -5.781 4.183 1.00 0.00 O ATOM 1406 CB SER A 92 -14.822 -3.929 2.785 1.00 0.00 C ATOM 1407 OG SER A 92 -15.948 -3.069 2.802 1.00 0.00 O ATOM 0 H SER A 92 -14.657 -2.031 4.369 1.00 0.00 H new ATOM 0 HA SER A 92 -14.806 -4.798 4.748 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.071 -3.536 2.100 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.115 -4.909 2.408 1.00 0.00 H new ATOM 0 HG SER A 92 -16.314 -2.992 1.896 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.866 -3.645 3.858 1.00 0.00 N ATOM 1414 CA ALA A 93 -10.453 -3.960 3.730 1.00 0.00 C ATOM 1415 C ALA A 93 -9.938 -4.694 4.955 1.00 0.00 C ATOM 1416 O ALA A 93 -9.177 -5.655 4.846 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.666 -2.688 3.498 1.00 0.00 C ATOM 0 H ALA A 93 -12.083 -2.652 3.769 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.322 -4.622 2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.607 -2.928 3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.013 -2.207 2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.810 -2.012 4.341 1.00 0.00 H new ATOM 1423 N TYR A 94 -10.369 -4.245 6.121 1.00 0.00 N ATOM 1424 CA TYR A 94 -9.960 -4.874 7.372 1.00 0.00 C ATOM 1425 C TYR A 94 -10.370 -6.342 7.382 1.00 0.00 C ATOM 1426 O TYR A 94 -9.804 -7.153 8.113 1.00 0.00 O ATOM 1427 CB TYR A 94 -10.583 -4.157 8.572 1.00 0.00 C ATOM 1428 CG TYR A 94 -10.385 -2.660 8.564 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -9.176 -2.100 8.169 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -11.409 -1.806 8.950 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -8.995 -0.731 8.159 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -11.237 -0.433 8.941 1.00 0.00 C ATOM 1433 CZ TYR A 94 -10.027 0.098 8.544 1.00 0.00 C ATOM 1434 OH TYR A 94 -9.853 1.465 8.533 1.00 0.00 O ATOM 0 H TYR A 94 -11.000 -3.451 6.231 1.00 0.00 H new ATOM 0 HA TYR A 94 -8.875 -4.802 7.448 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -11.651 -4.372 8.596 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.155 -4.565 9.488 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.365 -2.746 7.865 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -12.356 -2.220 9.263 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.049 -0.311 7.851 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -12.044 0.218 9.243 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.266 1.714 7.789 1.00 0.00 H new ATOM 1444 N GLN A 95 -11.365 -6.670 6.563 1.00 0.00 N ATOM 1445 CA GLN A 95 -11.858 -8.036 6.471 1.00 0.00 C ATOM 1446 C GLN A 95 -10.875 -8.909 5.691 1.00 0.00 C ATOM 1447 O GLN A 95 -10.633 -10.062 6.050 1.00 0.00 O ATOM 1448 CB GLN A 95 -13.266 -8.053 5.838 1.00 0.00 C ATOM 1449 CG GLN A 95 -13.327 -8.550 4.395 1.00 0.00 C ATOM 1450 CD GLN A 95 -14.269 -7.739 3.525 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.801 -7.386 2.332 1.00 0.00 O flip ATOM 1452 NE2 GLN A 95 -15.396 -7.436 3.917 1.00 0.00 N flip ATOM 0 H GLN A 95 -11.844 -6.007 5.954 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.940 -8.454 7.475 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.914 -8.682 6.449 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.675 -7.043 5.875 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.326 -8.519 3.964 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.644 -9.593 4.389 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -15.711 -7.730 4.842 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -16.015 -6.891 3.317 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.306 -8.345 4.628 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.347 -9.068 3.804 1.00 0.00 C ATOM 1463 C GLN A 96 -7.963 -9.093 4.452 1.00 0.00 C ATOM 1464 O GLN A 96 -7.079 -9.823 4.010 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.255 -8.444 2.409 1.00 0.00 C ATOM 1466 CG GLN A 96 -8.698 -7.030 2.408 1.00 0.00 C ATOM 1467 CD GLN A 96 -7.814 -6.749 1.208 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -7.018 -7.593 0.797 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -7.952 -5.557 0.638 1.00 0.00 N ATOM 0 H GLN A 96 -10.494 -7.391 4.319 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.702 -10.094 3.713 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.626 -9.073 1.780 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.248 -8.434 1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.524 -6.319 2.420 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.125 -6.869 3.321 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.625 -4.888 1.012 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.385 -5.311 -0.174 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.775 -8.295 5.500 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.491 -8.262 6.175 1.00 0.00 C ATOM 1480 C GLY A 97 -5.720 -6.982 5.915 1.00 0.00 C ATOM 1481 O GLY A 97 -4.489 -6.992 5.880 1.00 0.00 O ATOM 0 H GLY A 97 -8.484 -7.675 5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.647 -8.374 7.248 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.893 -9.113 5.849 1.00 0.00 H new ATOM 1485 N ALA A 98 -6.438 -5.876 5.736 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.795 -4.591 5.485 1.00 0.00 C ATOM 1487 C ALA A 98 -4.904 -4.200 6.658 1.00 0.00 C ATOM 1488 O ALA A 98 -5.212 -4.510 7.808 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.834 -3.512 5.225 1.00 0.00 C ATOM 0 H ALA A 98 -7.457 -5.844 5.760 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.172 -4.689 4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.333 -2.562 5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.430 -3.783 4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.485 -3.416 6.094 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.792 -3.531 6.366 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.870 -3.125 7.416 1.00 0.00 C ATOM 1497 C PHE A 99 -3.451 -2.003 8.268 1.00 0.00 C ATOM 1498 O PHE A 99 -3.510 -2.122 9.492 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.530 -2.685 6.828 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.394 -2.818 7.801 1.00 0.00 C ATOM 1501 CD1 PHE A 99 0.058 -4.069 8.186 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.217 -1.694 8.334 1.00 0.00 C ATOM 1503 CE1 PHE A 99 1.098 -4.199 9.084 1.00 0.00 C ATOM 1504 CE2 PHE A 99 1.260 -1.819 9.235 1.00 0.00 C ATOM 1505 CZ PHE A 99 1.700 -3.072 9.610 1.00 0.00 C ATOM 0 H PHE A 99 -3.512 -3.262 5.423 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.709 -3.994 8.054 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.314 -3.281 5.942 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.604 -1.647 6.503 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.409 -4.954 7.779 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.124 -0.711 8.043 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.441 -5.181 9.375 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.729 -0.937 9.644 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.513 -3.172 10.313 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.877 -0.914 7.622 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.449 0.231 8.339 1.00 0.00 C ATOM 1517 C ASP A 100 -4.558 1.457 7.438 1.00 0.00 C ATOM 1518 O ASP A 100 -4.425 1.365 6.217 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.592 0.574 9.567 1.00 0.00 C ATOM 1520 CG ASP A 100 -2.143 0.839 9.204 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -1.893 1.738 8.374 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -1.260 0.146 9.750 1.00 0.00 O ATOM 0 H ASP A 100 -3.837 -0.800 6.609 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.452 -0.051 8.660 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.006 1.452 10.062 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.640 -0.248 10.282 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.796 2.606 8.064 1.00 0.00 N ATOM 1528 CA TYR A 101 -4.923 3.867 7.353 1.00 0.00 C ATOM 1529 C TYR A 101 -4.110 4.946 8.057 1.00 0.00 C ATOM 1530 O TYR A 101 -3.900 4.884 9.268 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.390 4.295 7.280 1.00 0.00 C ATOM 1532 CG TYR A 101 -7.081 3.912 5.995 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.608 2.638 5.814 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.217 4.835 4.968 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -8.255 2.301 4.640 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.858 4.504 3.792 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.377 3.237 3.633 1.00 0.00 C ATOM 1538 OH TYR A 101 -9.023 2.903 2.464 1.00 0.00 O ATOM 0 H TYR A 101 -4.905 2.686 9.075 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.544 3.732 6.340 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.929 3.850 8.116 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.448 5.377 7.403 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.511 1.903 6.600 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.814 5.829 5.091 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.663 1.310 4.511 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.953 5.233 3.001 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.532 2.076 2.596 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.661 5.934 7.297 1.00 0.00 N ATOM 1549 CA LEU A 102 -2.880 7.028 7.856 1.00 0.00 C ATOM 1550 C LEU A 102 -3.737 8.288 7.965 1.00 0.00 C ATOM 1551 O LEU A 102 -4.232 8.794 6.962 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.656 7.304 6.983 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.303 7.021 7.639 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.262 5.622 8.223 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.814 7.194 6.632 1.00 0.00 C ATOM 0 H LEU A 102 -3.824 6.001 6.292 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.545 6.742 8.853 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.734 6.703 6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.679 8.349 6.675 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.166 7.735 8.451 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.711 5.448 8.683 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.043 5.519 8.976 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.424 4.892 7.430 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.771 6.990 7.112 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.668 6.501 5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.808 8.216 6.254 1.00 0.00 H new ATOM 1567 N PRO A 103 -3.933 8.813 9.187 1.00 0.00 N ATOM 1568 CA PRO A 103 -4.742 10.014 9.402 1.00 0.00 C ATOM 1569 C PRO A 103 -4.094 11.266 8.816 1.00 0.00 C ATOM 1570 O PRO A 103 -4.602 11.853 7.862 1.00 0.00 O ATOM 1571 CB PRO A 103 -4.834 10.133 10.931 1.00 0.00 C ATOM 1572 CG PRO A 103 -4.340 8.833 11.472 1.00 0.00 C ATOM 1573 CD PRO A 103 -3.396 8.280 10.446 1.00 0.00 C ATOM 0 HA PRO A 103 -5.712 9.932 8.911 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.229 10.963 11.295 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.860 10.323 11.247 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -3.835 8.976 12.427 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.168 8.146 11.649 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.372 8.609 10.620 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.386 7.190 10.452 1.00 0.00 H new ATOM 1581 N LYS A 104 -2.973 11.673 9.404 1.00 0.00 N ATOM 1582 CA LYS A 104 -2.259 12.864 8.950 1.00 0.00 C ATOM 1583 C LYS A 104 -0.819 12.547 8.541 1.00 0.00 C ATOM 1584 O LYS A 104 -0.447 12.743 7.385 1.00 0.00 O ATOM 1585 CB LYS A 104 -2.279 13.940 10.038 1.00 0.00 C ATOM 1586 CG LYS A 104 -3.439 14.914 9.892 1.00 0.00 C ATOM 1587 CD LYS A 104 -4.125 15.182 11.223 1.00 0.00 C ATOM 1588 CE LYS A 104 -5.136 16.315 11.116 1.00 0.00 C ATOM 1589 NZ LYS A 104 -6.376 16.037 11.897 1.00 0.00 N ATOM 0 H LYS A 104 -2.539 11.197 10.195 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.774 13.238 8.065 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.336 13.460 11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.341 14.494 10.010 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.074 15.853 9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.164 14.512 9.184 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.628 14.276 11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.376 15.432 11.975 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.683 17.240 11.474 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.395 16.471 10.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.036 16.834 11.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.824 15.169 11.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.134 15.914 12.901 1.00 0.00 H new ATOM 1603 N PRO A 105 0.022 12.060 9.475 1.00 0.00 N ATOM 1604 CA PRO A 105 1.419 11.730 9.179 1.00 0.00 C ATOM 1605 C PRO A 105 1.555 10.845 7.944 1.00 0.00 C ATOM 1606 O PRO A 105 0.601 10.184 7.534 1.00 0.00 O ATOM 1607 CB PRO A 105 1.901 10.981 10.433 1.00 0.00 C ATOM 1608 CG PRO A 105 0.668 10.700 11.229 1.00 0.00 C ATOM 1609 CD PRO A 105 -0.301 11.792 10.882 1.00 0.00 C ATOM 0 HA PRO A 105 2.003 12.623 8.959 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.414 10.057 10.165 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.607 11.584 11.003 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.258 9.721 10.982 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.885 10.695 12.297 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.336 11.473 11.008 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.161 12.674 11.507 1.00 0.00 H new ATOM 1617 N PHE A 106 2.746 10.834 7.359 1.00 0.00 N ATOM 1618 CA PHE A 106 3.008 10.029 6.175 1.00 0.00 C ATOM 1619 C PHE A 106 4.507 10.006 5.866 1.00 0.00 C ATOM 1620 O PHE A 106 5.267 9.340 6.565 1.00 0.00 O ATOM 1621 CB PHE A 106 2.198 10.553 4.978 1.00 0.00 C ATOM 1622 CG PHE A 106 2.402 9.765 3.713 1.00 0.00 C ATOM 1623 CD1 PHE A 106 2.099 8.413 3.661 1.00 0.00 C ATOM 1624 CD2 PHE A 106 2.894 10.380 2.573 1.00 0.00 C ATOM 1625 CE1 PHE A 106 2.287 7.692 2.498 1.00 0.00 C ATOM 1626 CE2 PHE A 106 3.082 9.663 1.407 1.00 0.00 C ATOM 1627 CZ PHE A 106 2.779 8.317 1.369 1.00 0.00 C ATOM 0 H PHE A 106 3.546 11.375 7.687 1.00 0.00 H new ATOM 0 HA PHE A 106 2.690 9.005 6.370 1.00 0.00 H new ATOM 0 HB2 PHE A 106 1.139 10.541 5.235 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.470 11.593 4.795 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.712 7.918 4.539 1.00 0.00 H new ATOM 0 HD2 PHE A 106 3.134 11.433 2.596 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.049 6.639 2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.466 10.156 0.526 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.926 7.754 0.459 1.00 0.00 H new ATOM 1637 N ASP A 107 4.940 10.733 4.828 1.00 0.00 N ATOM 1638 CA ASP A 107 6.355 10.776 4.454 1.00 0.00 C ATOM 1639 C ASP A 107 6.990 9.384 4.505 1.00 0.00 C ATOM 1640 O ASP A 107 6.354 8.412 4.905 1.00 0.00 O ATOM 1641 CB ASP A 107 7.119 11.735 5.370 1.00 0.00 C ATOM 1642 CG ASP A 107 7.165 11.252 6.807 1.00 0.00 C ATOM 1643 OD1 ASP A 107 7.725 10.163 7.049 1.00 0.00 O ATOM 1644 OD2 ASP A 107 6.638 11.962 7.689 1.00 0.00 O ATOM 0 H ASP A 107 4.331 11.297 4.235 1.00 0.00 H new ATOM 0 HA ASP A 107 6.416 11.137 3.427 1.00 0.00 H new ATOM 0 HB2 ASP A 107 8.136 11.855 4.998 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.649 12.718 5.335 1.00 0.00 H new ATOM 1649 N ILE A 108 8.243 9.284 4.096 1.00 0.00 N ATOM 1650 CA ILE A 108 8.929 7.999 4.110 1.00 0.00 C ATOM 1651 C ILE A 108 9.162 7.513 5.532 1.00 0.00 C ATOM 1652 O ILE A 108 9.009 6.330 5.832 1.00 0.00 O ATOM 1653 CB ILE A 108 10.261 8.062 3.331 1.00 0.00 C ATOM 1654 CG1 ILE A 108 10.148 7.242 2.052 1.00 0.00 C ATOM 1655 CG2 ILE A 108 11.430 7.559 4.167 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.958 7.611 1.190 1.00 0.00 C ATOM 0 H ILE A 108 8.802 10.065 3.754 1.00 0.00 H new ATOM 0 HA ILE A 108 8.280 7.281 3.609 1.00 0.00 H new ATOM 0 HB ILE A 108 10.455 9.106 3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.060 7.369 1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.081 6.186 2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 108 12.348 7.620 3.583 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.528 8.173 5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.252 6.523 4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.946 6.984 0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.038 7.457 1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 108 9.032 8.658 0.896 1.00 0.00 H new ATOM 1668 N ASP A 109 9.539 8.437 6.395 1.00 0.00 N ATOM 1669 CA ASP A 109 9.806 8.120 7.794 1.00 0.00 C ATOM 1670 C ASP A 109 8.662 7.319 8.418 1.00 0.00 C ATOM 1671 O ASP A 109 8.875 6.217 8.913 1.00 0.00 O ATOM 1672 CB ASP A 109 10.050 9.404 8.588 1.00 0.00 C ATOM 1673 CG ASP A 109 11.501 9.558 9.002 1.00 0.00 C ATOM 1674 OD1 ASP A 109 11.945 8.804 9.895 1.00 0.00 O ATOM 1675 OD2 ASP A 109 12.193 10.425 8.431 1.00 0.00 O ATOM 0 H ASP A 109 9.669 9.420 6.155 1.00 0.00 H new ATOM 0 HA ASP A 109 10.702 7.501 7.831 1.00 0.00 H new ATOM 0 HB2 ASP A 109 9.753 10.263 7.986 1.00 0.00 H new ATOM 0 HB3 ASP A 109 9.419 9.404 9.477 1.00 0.00 H new ATOM 1680 N GLU A 110 7.456 7.881 8.399 1.00 0.00 N ATOM 1681 CA GLU A 110 6.296 7.208 8.974 1.00 0.00 C ATOM 1682 C GLU A 110 5.767 6.111 8.059 1.00 0.00 C ATOM 1683 O GLU A 110 5.250 5.099 8.529 1.00 0.00 O ATOM 1684 CB GLU A 110 5.181 8.212 9.286 1.00 0.00 C ATOM 1685 CG GLU A 110 5.622 9.349 10.192 1.00 0.00 C ATOM 1686 CD GLU A 110 5.911 8.891 11.608 1.00 0.00 C ATOM 1687 OE1 GLU A 110 5.062 8.184 12.189 1.00 0.00 O ATOM 1688 OE2 GLU A 110 6.988 9.242 12.134 1.00 0.00 O ATOM 0 H GLU A 110 7.258 8.796 7.994 1.00 0.00 H new ATOM 0 HA GLU A 110 6.625 6.743 9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.806 8.628 8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 110 4.350 7.685 9.756 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.516 9.814 9.776 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.845 10.113 10.213 1.00 0.00 H new ATOM 1695 N ALA A 111 5.901 6.308 6.754 1.00 0.00 N ATOM 1696 CA ALA A 111 5.430 5.314 5.796 1.00 0.00 C ATOM 1697 C ALA A 111 6.267 4.048 5.897 1.00 0.00 C ATOM 1698 O ALA A 111 5.746 2.967 6.169 1.00 0.00 O ATOM 1699 CB ALA A 111 5.459 5.862 4.377 1.00 0.00 C ATOM 0 H ALA A 111 6.326 7.136 6.337 1.00 0.00 H new ATOM 0 HA ALA A 111 4.395 5.071 6.039 1.00 0.00 H new ATOM 0 HB1 ALA A 111 5.103 5.099 3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.815 6.739 4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.480 6.141 4.115 1.00 0.00 H new ATOM 1705 N VAL A 112 7.571 4.196 5.690 1.00 0.00 N ATOM 1706 CA VAL A 112 8.487 3.071 5.774 1.00 0.00 C ATOM 1707 C VAL A 112 8.454 2.470 7.172 1.00 0.00 C ATOM 1708 O VAL A 112 8.606 1.266 7.356 1.00 0.00 O ATOM 1709 CB VAL A 112 9.929 3.488 5.424 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.853 2.282 5.465 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.974 4.155 4.056 1.00 0.00 C ATOM 0 H VAL A 112 8.015 5.086 5.463 1.00 0.00 H new ATOM 0 HA VAL A 112 8.162 2.326 5.048 1.00 0.00 H new ATOM 0 HB VAL A 112 10.272 4.209 6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.868 2.592 5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.842 1.849 6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.513 1.539 4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.000 4.443 3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.614 3.458 3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.341 5.042 4.063 1.00 0.00 H new ATOM 1721 N ALA A 113 8.228 3.319 8.155 1.00 0.00 N ATOM 1722 CA ALA A 113 8.140 2.873 9.535 1.00 0.00 C ATOM 1723 C ALA A 113 6.978 1.912 9.694 1.00 0.00 C ATOM 1724 O ALA A 113 7.088 0.869 10.338 1.00 0.00 O ATOM 1725 CB ALA A 113 7.944 4.063 10.452 1.00 0.00 C ATOM 0 H ALA A 113 8.102 4.323 8.025 1.00 0.00 H new ATOM 0 HA ALA A 113 9.067 2.364 9.801 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.879 3.720 11.485 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.788 4.745 10.349 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.024 4.582 10.183 1.00 0.00 H new ATOM 1731 N LEU A 114 5.857 2.293 9.100 1.00 0.00 N ATOM 1732 CA LEU A 114 4.643 1.502 9.157 1.00 0.00 C ATOM 1733 C LEU A 114 4.725 0.279 8.243 1.00 0.00 C ATOM 1734 O LEU A 114 4.030 -0.713 8.462 1.00 0.00 O ATOM 1735 CB LEU A 114 3.448 2.383 8.779 1.00 0.00 C ATOM 1736 CG LEU A 114 2.095 1.674 8.713 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.399 1.705 10.064 1.00 0.00 C ATOM 1738 CD2 LEU A 114 1.214 2.315 7.655 1.00 0.00 C ATOM 0 H LEU A 114 5.766 3.158 8.567 1.00 0.00 H new ATOM 0 HA LEU A 114 4.515 1.133 10.175 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.376 3.196 9.502 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.647 2.837 7.808 1.00 0.00 H new ATOM 0 HG LEU A 114 2.271 0.633 8.443 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.439 1.194 9.990 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.021 1.203 10.805 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.237 2.740 10.366 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.254 1.800 7.620 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.053 3.364 7.902 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.701 2.242 6.683 1.00 0.00 H new ATOM 1750 N VAL A 115 5.576 0.350 7.223 1.00 0.00 N ATOM 1751 CA VAL A 115 5.735 -0.766 6.290 1.00 0.00 C ATOM 1752 C VAL A 115 6.631 -1.862 6.866 1.00 0.00 C ATOM 1753 O VAL A 115 6.340 -3.051 6.731 1.00 0.00 O ATOM 1754 CB VAL A 115 6.284 -0.322 4.909 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.796 -0.151 4.928 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.888 -1.327 3.838 1.00 0.00 C ATOM 0 H VAL A 115 6.162 1.160 7.021 1.00 0.00 H new ATOM 0 HA VAL A 115 4.732 -1.166 6.140 1.00 0.00 H new ATOM 0 HB VAL A 115 5.843 0.648 4.678 1.00 0.00 H new ATOM 0 HG11 VAL A 115 8.139 0.160 3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 115 8.067 0.607 5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 115 8.266 -1.098 5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.279 -1.004 2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.299 -2.305 4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.801 -1.393 3.785 1.00 0.00 H new ATOM 1766 N GLU A 116 7.726 -1.452 7.498 1.00 0.00 N ATOM 1767 CA GLU A 116 8.670 -2.398 8.081 1.00 0.00 C ATOM 1768 C GLU A 116 8.002 -3.262 9.147 1.00 0.00 C ATOM 1769 O GLU A 116 8.093 -4.489 9.104 1.00 0.00 O ATOM 1770 CB GLU A 116 9.868 -1.654 8.678 1.00 0.00 C ATOM 1771 CG GLU A 116 10.742 -0.973 7.634 1.00 0.00 C ATOM 1772 CD GLU A 116 12.112 -0.606 8.169 1.00 0.00 C ATOM 1773 OE1 GLU A 116 12.227 0.444 8.837 1.00 0.00 O ATOM 1774 OE2 GLU A 116 13.069 -1.367 7.920 1.00 0.00 O ATOM 0 H GLU A 116 7.981 -0.472 7.619 1.00 0.00 H new ATOM 0 HA GLU A 116 9.020 -3.055 7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 116 9.506 -0.905 9.382 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.476 -2.358 9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.857 -1.634 6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.242 -0.072 7.279 1.00 0.00 H new ATOM 1781 N ARG A 117 7.333 -2.625 10.104 1.00 0.00 N ATOM 1782 CA ARG A 117 6.656 -3.356 11.174 1.00 0.00 C ATOM 1783 C ARG A 117 5.643 -4.345 10.604 1.00 0.00 C ATOM 1784 O ARG A 117 5.300 -5.338 11.246 1.00 0.00 O ATOM 1785 CB ARG A 117 5.973 -2.393 12.149 1.00 0.00 C ATOM 1786 CG ARG A 117 4.836 -1.593 11.536 1.00 0.00 C ATOM 1787 CD ARG A 117 4.034 -0.859 12.600 1.00 0.00 C ATOM 1788 NE ARG A 117 3.916 0.569 12.309 1.00 0.00 N ATOM 1789 CZ ARG A 117 4.631 1.520 12.911 1.00 0.00 C ATOM 1790 NH1 ARG A 117 5.507 1.206 13.859 1.00 0.00 N ATOM 1791 NH2 ARG A 117 4.467 2.790 12.567 1.00 0.00 N ATOM 0 H ARG A 117 7.245 -1.610 10.162 1.00 0.00 H new ATOM 0 HA ARG A 117 7.412 -3.918 11.722 1.00 0.00 H new ATOM 0 HB2 ARG A 117 5.588 -2.962 12.995 1.00 0.00 H new ATOM 0 HB3 ARG A 117 6.718 -1.702 12.543 1.00 0.00 H new ATOM 0 HG2 ARG A 117 5.239 -0.874 10.822 1.00 0.00 H new ATOM 0 HG3 ARG A 117 4.179 -2.261 10.979 1.00 0.00 H new ATOM 0 HD2 ARG A 117 3.039 -1.298 12.671 1.00 0.00 H new ATOM 0 HD3 ARG A 117 4.511 -0.993 13.571 1.00 0.00 H new ATOM 0 HE ARG A 117 3.243 0.857 11.599 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.637 0.232 14.131 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.050 1.939 14.315 1.00 0.00 H new ATOM 0 HH21 ARG A 117 3.794 3.039 11.842 1.00 0.00 H new ATOM 0 HH22 ARG A 117 5.014 3.518 13.027 1.00 0.00 H new ATOM 1805 N ALA A 118 5.175 -4.072 9.391 1.00 0.00 N ATOM 1806 CA ALA A 118 4.212 -4.941 8.729 1.00 0.00 C ATOM 1807 C ALA A 118 4.863 -6.255 8.316 1.00 0.00 C ATOM 1808 O ALA A 118 4.301 -7.331 8.520 1.00 0.00 O ATOM 1809 CB ALA A 118 3.619 -4.249 7.512 1.00 0.00 C ATOM 0 H ALA A 118 5.448 -3.254 8.846 1.00 0.00 H new ATOM 0 HA ALA A 118 3.411 -5.158 9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.902 -4.913 7.030 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.115 -3.334 7.823 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.415 -4.003 6.809 1.00 0.00 H new ATOM 1815 N ILE A 119 6.050 -6.156 7.725 1.00 0.00 N ATOM 1816 CA ILE A 119 6.785 -7.325 7.271 1.00 0.00 C ATOM 1817 C ILE A 119 7.456 -8.046 8.431 1.00 0.00 C ATOM 1818 O ILE A 119 7.577 -9.271 8.433 1.00 0.00 O ATOM 1819 CB ILE A 119 7.861 -6.928 6.243 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.263 -6.027 5.164 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.496 -8.155 5.614 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.203 -4.932 4.726 1.00 0.00 C ATOM 0 H ILE A 119 6.524 -5.270 7.550 1.00 0.00 H new ATOM 0 HA ILE A 119 6.062 -7.996 6.807 1.00 0.00 H new ATOM 0 HB ILE A 119 8.640 -6.376 6.769 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.993 -6.634 4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.343 -5.580 5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.252 -7.844 4.893 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.963 -8.761 6.390 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.730 -8.742 5.107 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.722 -4.325 3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.454 -4.304 5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.113 -5.374 4.321 1.00 0.00 H new ATOM 1834 N SER A 120 7.890 -7.273 9.412 1.00 0.00 N ATOM 1835 CA SER A 120 8.555 -7.822 10.585 1.00 0.00 C ATOM 1836 C SER A 120 7.602 -8.691 11.395 1.00 0.00 C ATOM 1837 O SER A 120 7.946 -9.804 11.794 1.00 0.00 O ATOM 1838 CB SER A 120 9.103 -6.692 11.459 1.00 0.00 C ATOM 1839 OG SER A 120 10.361 -6.245 10.985 1.00 0.00 O ATOM 0 H SER A 120 7.794 -6.258 9.420 1.00 0.00 H new ATOM 0 HA SER A 120 9.383 -8.445 10.245 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.398 -5.861 11.468 1.00 0.00 H new ATOM 0 HB3 SER A 120 9.201 -7.039 12.488 1.00 0.00 H new ATOM 0 HG SER A 120 10.689 -5.522 11.559 1.00 0.00 H new ATOM 1845 N HIS A 121 6.403 -8.175 11.634 1.00 0.00 N ATOM 1846 CA HIS A 121 5.398 -8.903 12.397 1.00 0.00 C ATOM 1847 C HIS A 121 4.861 -10.087 11.602 1.00 0.00 C ATOM 1848 O HIS A 121 4.460 -11.103 12.172 1.00 0.00 O ATOM 1849 CB HIS A 121 4.252 -7.968 12.787 1.00 0.00 C ATOM 1850 CG HIS A 121 4.481 -7.251 14.080 1.00 0.00 C ATOM 1851 ND1 HIS A 121 5.529 -6.377 14.282 1.00 0.00 N ATOM 1852 CD2 HIS A 121 3.791 -7.282 15.246 1.00 0.00 C ATOM 1853 CE1 HIS A 121 5.476 -5.904 15.514 1.00 0.00 C ATOM 1854 NE2 HIS A 121 4.430 -6.436 16.119 1.00 0.00 N ATOM 0 H HIS A 121 6.103 -7.255 11.310 1.00 0.00 H new ATOM 0 HA HIS A 121 5.869 -9.286 13.302 1.00 0.00 H new ATOM 0 HB2 HIS A 121 4.107 -7.234 11.994 1.00 0.00 H new ATOM 0 HB3 HIS A 121 3.331 -8.546 12.859 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.904 -7.863 15.451 1.00 0.00 H new ATOM 0 HE1 HIS A 121 6.170 -5.202 15.952 1.00 0.00 H new ATOM 0 HE2 HIS A 121 4.143 -6.249 17.080 1.00 0.00 H new ATOM 1863 N TYR A 122 4.860 -9.948 10.285 1.00 0.00 N ATOM 1864 CA TYR A 122 4.380 -10.999 9.403 1.00 0.00 C ATOM 1865 C TYR A 122 5.436 -12.088 9.238 1.00 0.00 C ATOM 1866 O TYR A 122 5.121 -13.279 9.239 1.00 0.00 O ATOM 1867 CB TYR A 122 4.005 -10.415 8.039 1.00 0.00 C ATOM 1868 CG TYR A 122 3.265 -11.385 7.144 1.00 0.00 C ATOM 1869 CD1 TYR A 122 2.127 -12.043 7.595 1.00 0.00 C ATOM 1870 CD2 TYR A 122 3.703 -11.641 5.852 1.00 0.00 C ATOM 1871 CE1 TYR A 122 1.447 -12.929 6.780 1.00 0.00 C ATOM 1872 CE2 TYR A 122 3.028 -12.526 5.033 1.00 0.00 C ATOM 1873 CZ TYR A 122 1.901 -13.167 5.501 1.00 0.00 C ATOM 1874 OH TYR A 122 1.226 -14.048 4.688 1.00 0.00 O ATOM 0 H TYR A 122 5.189 -9.112 9.802 1.00 0.00 H new ATOM 0 HA TYR A 122 3.492 -11.445 9.851 1.00 0.00 H new ATOM 0 HB2 TYR A 122 3.387 -9.530 8.190 1.00 0.00 H new ATOM 0 HB3 TYR A 122 4.913 -10.087 7.532 1.00 0.00 H new ATOM 0 HD1 TYR A 122 1.768 -11.860 8.597 1.00 0.00 H new ATOM 0 HD2 TYR A 122 4.585 -11.141 5.481 1.00 0.00 H new ATOM 0 HE1 TYR A 122 0.564 -13.432 7.144 1.00 0.00 H new ATOM 0 HE2 TYR A 122 3.382 -12.715 4.030 1.00 0.00 H new ATOM 0 HH TYR A 122 1.676 -14.101 3.819 1.00 0.00 H new ATOM 1884 N GLN A 123 6.690 -11.671 9.100 1.00 0.00 N ATOM 1885 CA GLN A 123 7.795 -12.605 8.939 1.00 0.00 C ATOM 1886 C GLN A 123 8.138 -13.268 10.271 1.00 0.00 C ATOM 1887 O GLN A 123 7.506 -12.994 11.293 1.00 0.00 O ATOM 1888 CB GLN A 123 9.022 -11.880 8.382 1.00 0.00 C ATOM 1889 CG GLN A 123 9.945 -12.776 7.569 1.00 0.00 C ATOM 1890 CD GLN A 123 10.388 -12.136 6.266 1.00 0.00 C ATOM 1891 OE1 GLN A 123 9.920 -12.508 5.190 1.00 0.00 O ATOM 1892 NE2 GLN A 123 11.294 -11.170 6.358 1.00 0.00 N ATOM 0 H GLN A 123 6.966 -10.689 9.097 1.00 0.00 H new ATOM 0 HA GLN A 123 7.491 -13.380 8.235 1.00 0.00 H new ATOM 0 HB2 GLN A 123 8.690 -11.051 7.756 1.00 0.00 H new ATOM 0 HB3 GLN A 123 9.585 -11.449 9.210 1.00 0.00 H new ATOM 0 HG2 GLN A 123 10.824 -13.021 8.165 1.00 0.00 H new ATOM 0 HG3 GLN A 123 9.435 -13.715 7.353 1.00 0.00 H new ATOM 0 HE21 GLN A 123 11.654 -10.894 7.271 1.00 0.00 H new ATOM 0 HE22 GLN A 123 11.630 -10.704 5.515 1.00 0.00 H new ATOM 1901 N GLU A 124 9.142 -14.138 10.257 1.00 0.00 N ATOM 1902 CA GLU A 124 9.562 -14.840 11.464 1.00 0.00 C ATOM 1903 C GLU A 124 11.079 -14.788 11.620 1.00 0.00 C ATOM 1904 O GLU A 124 11.795 -14.398 10.698 1.00 0.00 O ATOM 1905 CB GLU A 124 9.106 -16.298 11.414 1.00 0.00 C ATOM 1906 CG GLU A 124 9.379 -17.064 12.698 1.00 0.00 C ATOM 1907 CD GLU A 124 8.126 -17.286 13.521 1.00 0.00 C ATOM 1908 OE1 GLU A 124 7.385 -18.248 13.230 1.00 0.00 O ATOM 1909 OE2 GLU A 124 7.885 -16.495 14.459 1.00 0.00 O ATOM 0 H GLU A 124 9.680 -14.374 9.423 1.00 0.00 H new ATOM 0 HA GLU A 124 9.102 -14.345 12.319 1.00 0.00 H new ATOM 0 HB2 GLU A 124 8.037 -16.329 11.202 1.00 0.00 H new ATOM 0 HB3 GLU A 124 9.609 -16.799 10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 124 9.825 -18.028 12.454 1.00 0.00 H new ATOM 0 HG3 GLU A 124 10.109 -16.517 13.295 1.00 0.00 H new TER 1916 GLU A 124