USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 16 TYR OH : rot 4:sc= 0.0279 USER MOD Set 1.2: A 80 THR OG1 : rot 48:sc= 1.15 USER MOD Single : A 9 MET CE :methyl -139:sc=-0.00321 (180deg=-0.21) USER MOD Single : A 20 ASN : amide:sc= 0.422 K(o=0.42,f=-0.38) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 149:sc=-0.000418 (180deg=-1.12) USER MOD Single : A 36 GLN : amide:sc= -0.153 X(o=-0.15,f=0.0047) USER MOD Single : A 40 ASN : amide:sc= 0.553 K(o=0.55,f=0) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.999 F(o=-3,f=-1) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 150:sc= -0.0947 (180deg=-1.01) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -2.33! X(o=-2.3!,f=-2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.3!) USER MOD Single : A 74 ASN : amide:sc= -5.9! C(o=-5.9!,f=-10!) USER MOD Single : A 75 SER OG : rot 35:sc= 0.361 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 6.890 -4.737 17.305 1.00 0.00 N ATOM 67 CA ARG A 8 7.883 -4.991 16.269 1.00 0.00 C ATOM 68 C ARG A 8 7.516 -4.267 14.976 1.00 0.00 C ATOM 69 O ARG A 8 6.431 -4.463 14.430 1.00 0.00 O ATOM 70 CB ARG A 8 8.006 -6.493 16.007 1.00 0.00 C ATOM 71 CG ARG A 8 6.690 -7.156 15.632 1.00 0.00 C ATOM 72 CD ARG A 8 6.872 -8.641 15.361 1.00 0.00 C ATOM 73 NE ARG A 8 7.054 -9.405 16.593 1.00 0.00 N ATOM 74 CZ ARG A 8 7.057 -10.732 16.641 1.00 0.00 C ATOM 75 NH1 ARG A 8 6.890 -11.439 15.532 1.00 0.00 N ATOM 76 NH2 ARG A 8 7.229 -11.354 17.800 1.00 0.00 N ATOM 0 HA ARG A 8 8.843 -4.611 16.620 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.726 -6.656 15.205 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.406 -6.977 16.898 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.969 -7.018 16.438 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.276 -6.672 14.748 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.002 -9.021 14.824 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.736 -8.788 14.713 1.00 0.00 H new ATOM 0 HE ARG A 8 7.186 -8.891 17.464 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.759 -10.964 14.639 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.893 -12.458 15.572 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.359 -10.813 18.655 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.231 -12.373 17.836 1.00 0.00 H new ATOM 90 N MET A 9 8.429 -3.431 14.493 1.00 0.00 N ATOM 91 CA MET A 9 8.202 -2.679 13.265 1.00 0.00 C ATOM 92 C MET A 9 8.602 -3.499 12.043 1.00 0.00 C ATOM 93 O MET A 9 9.640 -4.164 12.041 1.00 0.00 O ATOM 94 CB MET A 9 8.988 -1.366 13.292 1.00 0.00 C ATOM 95 CG MET A 9 8.994 -0.690 14.653 1.00 0.00 C ATOM 96 SD MET A 9 7.422 -0.861 15.521 1.00 0.00 S ATOM 97 CE MET A 9 6.330 0.037 14.421 1.00 0.00 C ATOM 0 H MET A 9 9.333 -3.257 14.933 1.00 0.00 H new ATOM 0 HA MET A 9 7.137 -2.455 13.198 1.00 0.00 H new ATOM 0 HB2 MET A 9 10.016 -1.561 12.988 1.00 0.00 H new ATOM 0 HB3 MET A 9 8.563 -0.682 12.558 1.00 0.00 H new ATOM 0 HG2 MET A 9 9.790 -1.117 15.263 1.00 0.00 H new ATOM 0 HG3 MET A 9 9.222 0.368 14.528 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.636 0.639 15.008 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.919 0.689 13.776 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.769 -0.669 13.809 1.00 0.00 H new ATOM 107 N LEU A 10 7.774 -3.449 11.005 1.00 0.00 N ATOM 108 CA LEU A 10 8.042 -4.189 9.777 1.00 0.00 C ATOM 109 C LEU A 10 8.313 -3.236 8.616 1.00 0.00 C ATOM 110 O LEU A 10 7.491 -2.375 8.302 1.00 0.00 O ATOM 111 CB LEU A 10 6.861 -5.100 9.439 1.00 0.00 C ATOM 112 CG LEU A 10 6.374 -6.013 10.564 1.00 0.00 C ATOM 113 CD1 LEU A 10 5.084 -6.712 10.165 1.00 0.00 C ATOM 114 CD2 LEU A 10 7.445 -7.032 10.925 1.00 0.00 C ATOM 0 H LEU A 10 6.912 -2.904 10.989 1.00 0.00 H new ATOM 0 HA LEU A 10 8.930 -4.801 9.936 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.027 -4.476 9.118 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.140 -5.722 8.588 1.00 0.00 H new ATOM 0 HG LEU A 10 6.173 -5.399 11.442 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.753 -7.357 10.979 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.316 -5.967 9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.257 -7.313 9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.081 -7.674 11.728 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.677 -7.641 10.051 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.345 -6.513 11.255 1.00 0.00 H new ATOM 126 N ASP A 11 9.468 -3.399 7.982 1.00 0.00 N ATOM 127 CA ASP A 11 9.846 -2.556 6.853 1.00 0.00 C ATOM 128 C ASP A 11 9.190 -3.045 5.566 1.00 0.00 C ATOM 129 O ASP A 11 9.698 -3.948 4.901 1.00 0.00 O ATOM 130 CB ASP A 11 11.367 -2.538 6.690 1.00 0.00 C ATOM 131 CG ASP A 11 11.795 -2.093 5.305 1.00 0.00 C ATOM 132 OD1 ASP A 11 11.057 -1.302 4.681 1.00 0.00 O ATOM 133 OD2 ASP A 11 12.868 -2.536 4.846 1.00 0.00 O ATOM 0 H ASP A 11 10.159 -4.107 8.230 1.00 0.00 H new ATOM 0 HA ASP A 11 9.498 -1.543 7.055 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.801 -1.870 7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.763 -3.534 6.887 1.00 0.00 H new ATOM 138 N PHE A 12 8.056 -2.443 5.220 1.00 0.00 N ATOM 139 CA PHE A 12 7.329 -2.818 4.014 1.00 0.00 C ATOM 140 C PHE A 12 7.699 -1.904 2.849 1.00 0.00 C ATOM 141 O PHE A 12 7.280 -0.748 2.797 1.00 0.00 O ATOM 142 CB PHE A 12 5.820 -2.760 4.264 1.00 0.00 C ATOM 143 CG PHE A 12 5.283 -3.970 4.972 1.00 0.00 C ATOM 144 CD1 PHE A 12 4.972 -5.121 4.267 1.00 0.00 C ATOM 145 CD2 PHE A 12 5.087 -3.956 6.344 1.00 0.00 C ATOM 146 CE1 PHE A 12 4.478 -6.237 4.916 1.00 0.00 C ATOM 147 CE2 PHE A 12 4.593 -5.068 6.999 1.00 0.00 C ATOM 148 CZ PHE A 12 4.287 -6.210 6.284 1.00 0.00 C ATOM 0 H PHE A 12 7.621 -1.694 5.758 1.00 0.00 H new ATOM 0 HA PHE A 12 7.608 -3.839 3.754 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.591 -1.872 4.854 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.306 -2.649 3.309 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.117 -5.147 3.197 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.323 -3.066 6.908 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.242 -7.129 4.354 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.446 -5.044 8.069 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.899 -7.080 6.793 1.00 0.00 H new ATOM 158 N ARG A 13 8.486 -2.432 1.918 1.00 0.00 N ATOM 159 CA ARG A 13 8.914 -1.665 0.755 1.00 0.00 C ATOM 160 C ARG A 13 7.897 -1.778 -0.377 1.00 0.00 C ATOM 161 O ARG A 13 7.736 -2.841 -0.977 1.00 0.00 O ATOM 162 CB ARG A 13 10.284 -2.148 0.274 1.00 0.00 C ATOM 163 CG ARG A 13 10.809 -1.388 -0.933 1.00 0.00 C ATOM 164 CD ARG A 13 11.627 -0.176 -0.516 1.00 0.00 C ATOM 165 NE ARG A 13 12.756 -0.545 0.335 1.00 0.00 N ATOM 166 CZ ARG A 13 13.721 0.300 0.681 1.00 0.00 C ATOM 167 NH1 ARG A 13 13.695 1.554 0.252 1.00 0.00 N ATOM 168 NH2 ARG A 13 14.715 -0.110 1.458 1.00 0.00 N ATOM 0 H ARG A 13 8.840 -3.388 1.946 1.00 0.00 H new ATOM 0 HA ARG A 13 8.988 -0.618 1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.000 -2.055 1.091 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.220 -3.207 0.026 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.423 -2.051 -1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.973 -1.068 -1.554 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.995 0.336 -1.405 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.987 0.528 0.016 1.00 0.00 H new ATOM 0 HE ARG A 13 12.806 -1.503 0.682 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.932 1.873 -0.346 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.438 2.200 0.520 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.738 -1.074 1.790 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.456 0.539 1.723 1.00 0.00 H new ATOM 182 N VAL A 14 7.211 -0.676 -0.662 1.00 0.00 N ATOM 183 CA VAL A 14 6.209 -0.651 -1.721 1.00 0.00 C ATOM 184 C VAL A 14 6.801 -0.129 -3.025 1.00 0.00 C ATOM 185 O VAL A 14 6.974 1.076 -3.201 1.00 0.00 O ATOM 186 CB VAL A 14 5.002 0.224 -1.332 1.00 0.00 C ATOM 187 CG1 VAL A 14 3.922 0.149 -2.400 1.00 0.00 C ATOM 188 CG2 VAL A 14 4.454 -0.197 0.023 1.00 0.00 C ATOM 0 H VAL A 14 7.331 0.212 -0.174 1.00 0.00 H new ATOM 0 HA VAL A 14 5.873 -1.678 -1.863 1.00 0.00 H new ATOM 0 HB VAL A 14 5.334 1.259 -1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.078 0.773 -2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.324 0.503 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.589 -0.883 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.602 0.431 0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.136 -1.239 -0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.230 -0.086 0.780 1.00 0.00 H new ATOM 198 N GLU A 15 7.110 -1.046 -3.937 1.00 0.00 N ATOM 199 CA GLU A 15 7.683 -0.678 -5.226 1.00 0.00 C ATOM 200 C GLU A 15 6.602 -0.175 -6.179 1.00 0.00 C ATOM 201 O GLU A 15 5.817 -0.958 -6.714 1.00 0.00 O ATOM 202 CB GLU A 15 8.409 -1.873 -5.847 1.00 0.00 C ATOM 203 CG GLU A 15 9.165 -1.532 -7.120 1.00 0.00 C ATOM 204 CD GLU A 15 9.422 -2.748 -7.989 1.00 0.00 C ATOM 205 OE1 GLU A 15 10.340 -3.528 -7.660 1.00 0.00 O ATOM 206 OE2 GLU A 15 8.706 -2.919 -8.998 1.00 0.00 O ATOM 0 H GLU A 15 6.973 -2.048 -3.807 1.00 0.00 H new ATOM 0 HA GLU A 15 8.399 0.126 -5.059 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.108 -2.281 -5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.682 -2.656 -6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.597 -0.796 -7.690 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.116 -1.068 -6.860 1.00 0.00 H new ATOM 213 N TYR A 16 6.568 1.137 -6.385 1.00 0.00 N ATOM 214 CA TYR A 16 5.582 1.746 -7.270 1.00 0.00 C ATOM 215 C TYR A 16 6.261 2.428 -8.454 1.00 0.00 C ATOM 216 O TYR A 16 7.414 2.849 -8.365 1.00 0.00 O ATOM 217 CB TYR A 16 4.733 2.760 -6.501 1.00 0.00 C ATOM 218 CG TYR A 16 3.552 3.281 -7.288 1.00 0.00 C ATOM 219 CD1 TYR A 16 2.788 2.430 -8.076 1.00 0.00 C ATOM 220 CD2 TYR A 16 3.199 4.624 -7.241 1.00 0.00 C ATOM 221 CE1 TYR A 16 1.708 2.901 -8.797 1.00 0.00 C ATOM 222 CE2 TYR A 16 2.119 5.104 -7.958 1.00 0.00 C ATOM 223 CZ TYR A 16 1.377 4.239 -8.734 1.00 0.00 C ATOM 224 OH TYR A 16 0.302 4.713 -9.450 1.00 0.00 O ATOM 0 H TYR A 16 7.212 1.799 -5.951 1.00 0.00 H new ATOM 0 HA TYR A 16 4.935 0.956 -7.651 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.371 2.297 -5.583 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.362 3.600 -6.207 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.043 1.382 -8.126 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.778 5.304 -6.634 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.126 2.226 -9.407 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.858 6.151 -7.911 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.147 3.966 -9.899 1.00 0.00 H new ATOM 234 N ARG A 17 5.536 2.533 -9.563 1.00 0.00 N ATOM 235 CA ARG A 17 6.066 3.163 -10.766 1.00 0.00 C ATOM 236 C ARG A 17 7.003 4.314 -10.409 1.00 0.00 C ATOM 237 O ARG A 17 8.219 4.208 -10.564 1.00 0.00 O ATOM 238 CB ARG A 17 4.924 3.675 -11.645 1.00 0.00 C ATOM 239 CG ARG A 17 4.191 2.574 -12.393 1.00 0.00 C ATOM 240 CD ARG A 17 3.115 1.934 -11.529 1.00 0.00 C ATOM 241 NE ARG A 17 2.106 1.246 -12.330 1.00 0.00 N ATOM 242 CZ ARG A 17 2.322 0.091 -12.950 1.00 0.00 C ATOM 243 NH1 ARG A 17 3.505 -0.502 -12.861 1.00 0.00 N ATOM 244 NH2 ARG A 17 1.354 -0.473 -13.661 1.00 0.00 N ATOM 0 H ARG A 17 4.580 2.190 -9.653 1.00 0.00 H new ATOM 0 HA ARG A 17 6.633 2.414 -11.319 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.212 4.216 -11.022 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.323 4.389 -12.366 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.738 2.985 -13.295 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.903 1.813 -12.712 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.577 1.225 -10.841 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.634 2.701 -10.922 1.00 0.00 H new ATOM 0 HE ARG A 17 1.185 1.676 -12.418 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.252 -0.071 -12.316 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.668 -1.389 -13.338 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.443 -0.020 -13.732 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.521 -1.360 -14.137 1.00 0.00 H new ATOM 258 N ASP A 18 6.427 5.412 -9.932 1.00 0.00 N ATOM 259 CA ASP A 18 7.210 6.583 -9.553 1.00 0.00 C ATOM 260 C ASP A 18 8.477 6.171 -8.810 1.00 0.00 C ATOM 261 O ASP A 18 9.583 6.558 -9.189 1.00 0.00 O ATOM 262 CB ASP A 18 6.374 7.521 -8.680 1.00 0.00 C ATOM 263 CG ASP A 18 6.291 7.052 -7.241 1.00 0.00 C ATOM 264 OD1 ASP A 18 5.861 5.901 -7.015 1.00 0.00 O ATOM 265 OD2 ASP A 18 6.656 7.835 -6.340 1.00 0.00 O ATOM 0 H ASP A 18 5.421 5.516 -9.799 1.00 0.00 H new ATOM 0 HA ASP A 18 7.498 7.108 -10.464 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.807 8.521 -8.709 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.368 7.597 -9.093 1.00 0.00 H new ATOM 270 N ARG A 19 8.308 5.387 -7.750 1.00 0.00 N ATOM 271 CA ARG A 19 9.438 4.926 -6.953 1.00 0.00 C ATOM 272 C ARG A 19 8.979 3.950 -5.873 1.00 0.00 C ATOM 273 O ARG A 19 7.790 3.663 -5.747 1.00 0.00 O ATOM 274 CB ARG A 19 10.155 6.114 -6.310 1.00 0.00 C ATOM 275 CG ARG A 19 9.468 6.636 -5.058 1.00 0.00 C ATOM 276 CD ARG A 19 9.728 8.120 -4.857 1.00 0.00 C ATOM 277 NE ARG A 19 9.718 8.492 -3.445 1.00 0.00 N ATOM 278 CZ ARG A 19 9.817 9.744 -3.014 1.00 0.00 C ATOM 279 NH1 ARG A 19 9.933 10.740 -3.881 1.00 0.00 N ATOM 280 NH2 ARG A 19 9.799 10.002 -1.712 1.00 0.00 N ATOM 0 H ARG A 19 7.399 5.058 -7.424 1.00 0.00 H new ATOM 0 HA ARG A 19 10.131 4.408 -7.616 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.174 5.820 -6.059 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.227 6.922 -7.038 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.395 6.460 -5.131 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.824 6.082 -4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.692 8.381 -5.294 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.971 8.696 -5.389 1.00 0.00 H new ATOM 0 HE ARG A 19 9.630 7.749 -2.752 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.946 10.546 -4.882 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.009 11.701 -3.547 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.709 9.238 -1.042 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.875 10.964 -1.382 1.00 0.00 H new ATOM 294 N ASN A 20 9.932 3.444 -5.097 1.00 0.00 N ATOM 295 CA ASN A 20 9.626 2.499 -4.029 1.00 0.00 C ATOM 296 C ASN A 20 9.612 3.198 -2.673 1.00 0.00 C ATOM 297 O ASN A 20 10.656 3.599 -2.158 1.00 0.00 O ATOM 298 CB ASN A 20 10.648 1.361 -4.018 1.00 0.00 C ATOM 299 CG ASN A 20 12.028 1.819 -4.447 1.00 0.00 C ATOM 300 OD1 ASN A 20 12.480 1.515 -5.552 1.00 0.00 O ATOM 301 ND2 ASN A 20 12.706 2.553 -3.573 1.00 0.00 N ATOM 0 H ASN A 20 10.922 3.672 -5.188 1.00 0.00 H new ATOM 0 HA ASN A 20 8.635 2.086 -4.216 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.704 0.937 -3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.309 0.566 -4.682 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.641 2.889 -3.806 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.292 2.781 -2.669 1.00 0.00 H new ATOM 308 N VAL A 21 8.422 3.339 -2.098 1.00 0.00 N ATOM 309 CA VAL A 21 8.271 3.988 -0.801 1.00 0.00 C ATOM 310 C VAL A 21 8.336 2.971 0.333 1.00 0.00 C ATOM 311 O VAL A 21 7.871 1.839 0.192 1.00 0.00 O ATOM 312 CB VAL A 21 6.941 4.758 -0.710 1.00 0.00 C ATOM 313 CG1 VAL A 21 5.762 3.799 -0.779 1.00 0.00 C ATOM 314 CG2 VAL A 21 6.891 5.586 0.566 1.00 0.00 C ATOM 0 H VAL A 21 7.548 3.012 -2.510 1.00 0.00 H new ATOM 0 HA VAL A 21 9.097 4.692 -0.701 1.00 0.00 H new ATOM 0 HB VAL A 21 6.876 5.437 -1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.831 4.362 -0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.791 3.254 -1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.818 3.093 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.944 6.124 0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.979 4.928 1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.714 6.300 0.569 1.00 0.00 H new ATOM 324 N ASP A 22 8.914 3.381 1.456 1.00 0.00 N ATOM 325 CA ASP A 22 9.038 2.506 2.616 1.00 0.00 C ATOM 326 C ASP A 22 7.875 2.715 3.581 1.00 0.00 C ATOM 327 O ASP A 22 7.405 3.837 3.770 1.00 0.00 O ATOM 328 CB ASP A 22 10.364 2.760 3.334 1.00 0.00 C ATOM 329 CG ASP A 22 10.351 2.267 4.767 1.00 0.00 C ATOM 330 OD1 ASP A 22 9.712 1.226 5.031 1.00 0.00 O ATOM 331 OD2 ASP A 22 10.979 2.922 5.625 1.00 0.00 O ATOM 0 H ASP A 22 9.304 4.314 1.588 1.00 0.00 H new ATOM 0 HA ASP A 22 9.015 1.474 2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.169 2.265 2.790 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.581 3.828 3.322 1.00 0.00 H new ATOM 336 N VAL A 23 7.415 1.626 4.190 1.00 0.00 N ATOM 337 CA VAL A 23 6.307 1.690 5.136 1.00 0.00 C ATOM 338 C VAL A 23 6.652 0.971 6.435 1.00 0.00 C ATOM 339 O VAL A 23 7.261 -0.099 6.423 1.00 0.00 O ATOM 340 CB VAL A 23 5.027 1.070 4.543 1.00 0.00 C ATOM 341 CG1 VAL A 23 3.874 1.184 5.528 1.00 0.00 C ATOM 342 CG2 VAL A 23 4.677 1.735 3.221 1.00 0.00 C ATOM 0 H VAL A 23 7.792 0.690 4.045 1.00 0.00 H new ATOM 0 HA VAL A 23 6.128 2.745 5.344 1.00 0.00 H new ATOM 0 HB VAL A 23 5.209 0.012 4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.978 0.741 5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.128 0.658 6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.688 2.235 5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.771 1.285 2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.513 2.800 3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.497 1.597 2.516 1.00 0.00 H new ATOM 352 N VAL A 24 6.257 1.565 7.557 1.00 0.00 N ATOM 353 CA VAL A 24 6.523 0.981 8.866 1.00 0.00 C ATOM 354 C VAL A 24 5.260 0.948 9.719 1.00 0.00 C ATOM 355 O VAL A 24 4.672 1.988 10.019 1.00 0.00 O ATOM 356 CB VAL A 24 7.617 1.763 9.617 1.00 0.00 C ATOM 357 CG1 VAL A 24 7.587 1.430 11.101 1.00 0.00 C ATOM 358 CG2 VAL A 24 8.986 1.467 9.024 1.00 0.00 C ATOM 0 H VAL A 24 5.752 2.451 7.585 1.00 0.00 H new ATOM 0 HA VAL A 24 6.869 -0.038 8.694 1.00 0.00 H new ATOM 0 HB VAL A 24 7.420 2.829 9.503 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.367 1.992 11.616 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.614 1.697 11.514 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.758 0.362 11.238 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.747 2.028 9.567 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.195 0.400 9.105 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.999 1.760 7.974 1.00 0.00 H new ATOM 368 N LEU A 25 4.848 -0.253 10.109 1.00 0.00 N ATOM 369 CA LEU A 25 3.654 -0.424 10.929 1.00 0.00 C ATOM 370 C LEU A 25 3.728 -1.716 11.737 1.00 0.00 C ATOM 371 O LEU A 25 4.103 -2.764 11.214 1.00 0.00 O ATOM 372 CB LEU A 25 2.403 -0.430 10.049 1.00 0.00 C ATOM 373 CG LEU A 25 1.999 -1.784 9.466 1.00 0.00 C ATOM 374 CD1 LEU A 25 0.654 -1.683 8.762 1.00 0.00 C ATOM 375 CD2 LEU A 25 3.067 -2.293 8.509 1.00 0.00 C ATOM 0 H LEU A 25 5.323 -1.123 9.870 1.00 0.00 H new ATOM 0 HA LEU A 25 3.598 0.414 11.624 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.569 -0.046 10.636 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.560 0.266 9.225 1.00 0.00 H new ATOM 0 HG LEU A 25 1.904 -2.497 10.285 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.383 -2.657 8.353 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.107 -1.364 9.475 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.721 -0.956 7.953 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.762 -3.258 8.104 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.194 -1.581 7.694 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.010 -2.405 9.043 1.00 0.00 H new ATOM 387 N GLU A 26 3.364 -1.631 13.013 1.00 0.00 N ATOM 388 CA GLU A 26 3.388 -2.795 13.891 1.00 0.00 C ATOM 389 C GLU A 26 2.563 -3.937 13.305 1.00 0.00 C ATOM 390 O GLU A 26 1.670 -3.715 12.487 1.00 0.00 O ATOM 391 CB GLU A 26 2.857 -2.426 15.278 1.00 0.00 C ATOM 392 CG GLU A 26 3.440 -3.271 16.398 1.00 0.00 C ATOM 393 CD GLU A 26 2.704 -3.087 17.711 1.00 0.00 C ATOM 394 OE1 GLU A 26 2.523 -1.924 18.131 1.00 0.00 O ATOM 395 OE2 GLU A 26 2.309 -4.104 18.318 1.00 0.00 O ATOM 0 H GLU A 26 3.050 -0.770 13.461 1.00 0.00 H new ATOM 0 HA GLU A 26 4.422 -3.128 13.982 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.076 -1.377 15.474 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.772 -2.531 15.282 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.406 -4.322 16.111 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.490 -3.012 16.535 1.00 0.00 H new ATOM 402 N ASP A 27 2.868 -5.158 13.729 1.00 0.00 N ATOM 403 CA ASP A 27 2.155 -6.335 13.247 1.00 0.00 C ATOM 404 C ASP A 27 0.719 -6.349 13.762 1.00 0.00 C ATOM 405 O ASP A 27 -0.069 -7.229 13.414 1.00 0.00 O ATOM 406 CB ASP A 27 2.878 -7.610 13.684 1.00 0.00 C ATOM 407 CG ASP A 27 2.777 -7.851 15.177 1.00 0.00 C ATOM 408 OD1 ASP A 27 2.864 -6.869 15.944 1.00 0.00 O ATOM 409 OD2 ASP A 27 2.609 -9.021 15.579 1.00 0.00 O ATOM 0 H ASP A 27 3.604 -5.359 14.406 1.00 0.00 H new ATOM 0 HA ASP A 27 2.132 -6.294 12.158 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.457 -8.463 13.152 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.928 -7.544 13.400 1.00 0.00 H new ATOM 414 N THR A 28 0.384 -5.367 14.594 1.00 0.00 N ATOM 415 CA THR A 28 -0.956 -5.267 15.158 1.00 0.00 C ATOM 416 C THR A 28 -1.907 -4.567 14.195 1.00 0.00 C ATOM 417 O THR A 28 -3.125 -4.724 14.286 1.00 0.00 O ATOM 418 CB THR A 28 -0.946 -4.505 16.497 1.00 0.00 C ATOM 419 OG1 THR A 28 -0.251 -3.262 16.348 1.00 0.00 O ATOM 420 CG2 THR A 28 -0.284 -5.335 17.586 1.00 0.00 C ATOM 0 H THR A 28 1.023 -4.630 14.892 1.00 0.00 H new ATOM 0 HA THR A 28 -1.303 -6.286 15.330 1.00 0.00 H new ATOM 0 HB THR A 28 -1.978 -4.310 16.787 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.250 -2.783 17.203 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.288 -4.777 18.522 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.833 -6.268 17.717 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.744 -5.556 17.300 1.00 0.00 H new ATOM 428 N CYS A 29 -1.344 -3.794 13.272 1.00 0.00 N ATOM 429 CA CYS A 29 -2.144 -3.069 12.291 1.00 0.00 C ATOM 430 C CYS A 29 -2.763 -4.027 11.279 1.00 0.00 C ATOM 431 O CYS A 29 -2.242 -5.117 11.038 1.00 0.00 O ATOM 432 CB CYS A 29 -1.284 -2.031 11.569 1.00 0.00 C ATOM 433 SG CYS A 29 -1.070 -0.485 12.482 1.00 0.00 S ATOM 0 H CYS A 29 -0.338 -3.653 13.183 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.949 -2.559 12.820 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.303 -2.462 11.371 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.736 -1.810 10.602 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.327 0.328 11.791 1.00 0.00 H new ATOM 439 N THR A 30 -3.881 -3.615 10.688 1.00 0.00 N ATOM 440 CA THR A 30 -4.573 -4.438 9.705 1.00 0.00 C ATOM 441 C THR A 30 -3.972 -4.257 8.316 1.00 0.00 C ATOM 442 O THR A 30 -3.591 -3.151 7.933 1.00 0.00 O ATOM 443 CB THR A 30 -6.076 -4.102 9.649 1.00 0.00 C ATOM 444 OG1 THR A 30 -6.675 -4.323 10.931 1.00 0.00 O ATOM 445 CG2 THR A 30 -6.781 -4.949 8.601 1.00 0.00 C ATOM 0 H THR A 30 -4.326 -2.716 10.874 1.00 0.00 H new ATOM 0 HA THR A 30 -4.451 -5.475 10.019 1.00 0.00 H new ATOM 0 HB THR A 30 -6.182 -3.052 9.375 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.630 -4.106 10.888 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.841 -4.694 8.580 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.342 -4.757 7.622 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.667 -6.004 8.849 1.00 0.00 H new ATOM 453 N VAL A 31 -3.891 -5.350 7.564 1.00 0.00 N ATOM 454 CA VAL A 31 -3.338 -5.311 6.215 1.00 0.00 C ATOM 455 C VAL A 31 -3.936 -4.164 5.409 1.00 0.00 C ATOM 456 O VAL A 31 -3.351 -3.711 4.426 1.00 0.00 O ATOM 457 CB VAL A 31 -3.587 -6.634 5.468 1.00 0.00 C ATOM 458 CG1 VAL A 31 -2.773 -7.760 6.088 1.00 0.00 C ATOM 459 CG2 VAL A 31 -5.070 -6.975 5.468 1.00 0.00 C ATOM 0 H VAL A 31 -4.201 -6.274 7.866 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.264 -5.157 6.318 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.265 -6.513 4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.962 -8.687 5.546 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.712 -7.516 6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.061 -7.885 7.132 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.228 -7.913 4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.420 -7.077 6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.626 -6.179 4.973 1.00 0.00 H new ATOM 469 N GLY A 32 -5.106 -3.697 5.832 1.00 0.00 N ATOM 470 CA GLY A 32 -5.765 -2.605 5.138 1.00 0.00 C ATOM 471 C GLY A 32 -5.052 -1.282 5.331 1.00 0.00 C ATOM 472 O GLY A 32 -5.004 -0.457 4.419 1.00 0.00 O ATOM 0 H GLY A 32 -5.610 -4.055 6.643 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.818 -2.834 4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.791 -2.517 5.496 1.00 0.00 H new ATOM 476 N GLU A 33 -4.497 -1.078 6.521 1.00 0.00 N ATOM 477 CA GLU A 33 -3.785 0.157 6.830 1.00 0.00 C ATOM 478 C GLU A 33 -2.784 0.497 5.730 1.00 0.00 C ATOM 479 O GLU A 33 -2.873 1.551 5.100 1.00 0.00 O ATOM 480 CB GLU A 33 -3.061 0.032 8.173 1.00 0.00 C ATOM 481 CG GLU A 33 -3.900 0.475 9.360 1.00 0.00 C ATOM 482 CD GLU A 33 -5.134 -0.384 9.556 1.00 0.00 C ATOM 483 OE1 GLU A 33 -6.106 -0.208 8.792 1.00 0.00 O ATOM 484 OE2 GLU A 33 -5.127 -1.232 10.472 1.00 0.00 O ATOM 0 H GLU A 33 -4.526 -1.751 7.287 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.517 0.962 6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.760 -1.005 8.319 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.149 0.627 8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.291 0.441 10.263 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.203 1.513 9.219 1.00 0.00 H new ATOM 491 N ILE A 34 -1.831 -0.401 5.506 1.00 0.00 N ATOM 492 CA ILE A 34 -0.814 -0.197 4.483 1.00 0.00 C ATOM 493 C ILE A 34 -1.386 0.543 3.278 1.00 0.00 C ATOM 494 O ILE A 34 -0.747 1.435 2.722 1.00 0.00 O ATOM 495 CB ILE A 34 -0.212 -1.534 4.012 1.00 0.00 C ATOM 496 CG1 ILE A 34 0.269 -2.353 5.212 1.00 0.00 C ATOM 497 CG2 ILE A 34 0.932 -1.287 3.039 1.00 0.00 C ATOM 498 CD1 ILE A 34 1.024 -3.605 4.825 1.00 0.00 C ATOM 0 H ILE A 34 -1.742 -1.278 6.020 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.028 0.406 4.937 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.986 -2.102 3.495 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.911 -1.729 5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.592 -2.631 5.820 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.347 -2.242 2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.561 -0.740 2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.709 -0.702 3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.335 -4.136 5.725 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.378 -4.249 4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.904 -3.334 4.242 1.00 0.00 H new ATOM 510 N LYS A 35 -2.597 0.166 2.881 1.00 0.00 N ATOM 511 CA LYS A 35 -3.260 0.795 1.744 1.00 0.00 C ATOM 512 C LYS A 35 -3.459 2.287 1.988 1.00 0.00 C ATOM 513 O LYS A 35 -2.933 3.120 1.251 1.00 0.00 O ATOM 514 CB LYS A 35 -4.610 0.125 1.481 1.00 0.00 C ATOM 515 CG LYS A 35 -4.518 -1.379 1.295 1.00 0.00 C ATOM 516 CD LYS A 35 -5.805 -1.951 0.724 1.00 0.00 C ATOM 517 CE LYS A 35 -5.780 -1.971 -0.796 1.00 0.00 C ATOM 518 NZ LYS A 35 -7.143 -1.821 -1.375 1.00 0.00 N ATOM 0 H LYS A 35 -3.139 -0.572 3.330 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.623 0.670 0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.280 0.339 2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.057 0.566 0.590 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.688 -1.614 0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.302 -1.852 2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.953 -2.963 1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.652 -1.357 1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.141 -1.166 -1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.340 -2.907 -1.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.080 -1.330 -2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.566 -2.761 -1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.737 -1.267 -0.726 1.00 0.00 H new ATOM 532 N GLN A 36 -4.221 2.616 3.026 1.00 0.00 N ATOM 533 CA GLN A 36 -4.488 4.009 3.366 1.00 0.00 C ATOM 534 C GLN A 36 -3.190 4.760 3.642 1.00 0.00 C ATOM 535 O GLN A 36 -3.090 5.961 3.386 1.00 0.00 O ATOM 536 CB GLN A 36 -5.408 4.091 4.585 1.00 0.00 C ATOM 537 CG GLN A 36 -6.111 5.431 4.728 1.00 0.00 C ATOM 538 CD GLN A 36 -7.337 5.544 3.844 1.00 0.00 C ATOM 539 OE1 GLN A 36 -7.452 6.467 3.036 1.00 0.00 O ATOM 540 NE2 GLN A 36 -8.263 4.604 3.992 1.00 0.00 N ATOM 0 H GLN A 36 -4.664 1.938 3.646 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.983 4.476 2.515 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.157 3.302 4.518 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.823 3.899 5.485 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.403 5.574 5.768 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.414 6.231 4.480 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.127 3.857 4.673 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.110 4.629 3.424 1.00 0.00 H new ATOM 549 N ILE A 37 -2.199 4.047 4.166 1.00 0.00 N ATOM 550 CA ILE A 37 -0.907 4.647 4.477 1.00 0.00 C ATOM 551 C ILE A 37 -0.217 5.150 3.213 1.00 0.00 C ATOM 552 O ILE A 37 0.163 6.318 3.123 1.00 0.00 O ATOM 553 CB ILE A 37 0.021 3.647 5.192 1.00 0.00 C ATOM 554 CG1 ILE A 37 -0.555 3.272 6.559 1.00 0.00 C ATOM 555 CG2 ILE A 37 1.416 4.234 5.341 1.00 0.00 C ATOM 556 CD1 ILE A 37 0.250 2.216 7.284 1.00 0.00 C ATOM 0 H ILE A 37 -2.266 3.053 4.384 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.101 5.488 5.142 1.00 0.00 H new ATOM 0 HB ILE A 37 0.092 2.742 4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.609 4.166 7.180 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.576 2.913 6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.061 3.516 5.848 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.825 4.456 4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.364 5.152 5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.216 1.999 8.245 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.282 1.307 6.683 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.265 2.580 7.446 1.00 0.00 H new ATOM 568 N LEU A 38 -0.059 4.261 2.239 1.00 0.00 N ATOM 569 CA LEU A 38 0.584 4.615 0.978 1.00 0.00 C ATOM 570 C LEU A 38 -0.090 5.827 0.344 1.00 0.00 C ATOM 571 O LEU A 38 0.510 6.527 -0.471 1.00 0.00 O ATOM 572 CB LEU A 38 0.542 3.430 0.011 1.00 0.00 C ATOM 573 CG LEU A 38 1.637 2.378 0.190 1.00 0.00 C ATOM 574 CD1 LEU A 38 1.280 1.103 -0.559 1.00 0.00 C ATOM 575 CD2 LEU A 38 2.978 2.919 -0.284 1.00 0.00 C ATOM 0 H LEU A 38 -0.367 3.290 2.298 1.00 0.00 H new ATOM 0 HA LEU A 38 1.623 4.869 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.426 2.939 0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.599 3.815 -1.007 1.00 0.00 H new ATOM 0 HG LEU A 38 1.717 2.141 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.071 0.366 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.341 0.705 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.172 1.323 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.746 2.157 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.911 3.184 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.239 3.804 0.296 1.00 0.00 H new ATOM 587 N GLU A 39 -1.340 6.070 0.726 1.00 0.00 N ATOM 588 CA GLU A 39 -2.095 7.199 0.195 1.00 0.00 C ATOM 589 C GLU A 39 -1.662 8.503 0.860 1.00 0.00 C ATOM 590 O GLU A 39 -1.817 9.583 0.291 1.00 0.00 O ATOM 591 CB GLU A 39 -3.595 6.982 0.402 1.00 0.00 C ATOM 592 CG GLU A 39 -4.447 8.161 -0.034 1.00 0.00 C ATOM 593 CD GLU A 39 -4.661 9.169 1.079 1.00 0.00 C ATOM 594 OE1 GLU A 39 -5.331 8.820 2.074 1.00 0.00 O ATOM 595 OE2 GLU A 39 -4.161 10.306 0.954 1.00 0.00 O ATOM 0 H GLU A 39 -1.851 5.501 1.401 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.890 7.270 -0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.905 6.096 -0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.782 6.780 1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.971 8.656 -0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.414 7.797 -0.381 1.00 0.00 H new ATOM 602 N ASN A 40 -1.118 8.393 2.068 1.00 0.00 N ATOM 603 CA ASN A 40 -0.664 9.562 2.811 1.00 0.00 C ATOM 604 C ASN A 40 0.741 9.969 2.379 1.00 0.00 C ATOM 605 O ASN A 40 1.256 11.003 2.804 1.00 0.00 O ATOM 606 CB ASN A 40 -0.685 9.277 4.314 1.00 0.00 C ATOM 607 CG ASN A 40 -2.058 9.487 4.923 1.00 0.00 C ATOM 608 OD1 ASN A 40 -2.363 10.564 5.438 1.00 0.00 O ATOM 609 ND2 ASN A 40 -2.894 8.457 4.868 1.00 0.00 N ATOM 0 H ASN A 40 -0.981 7.506 2.553 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.344 10.386 2.595 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.365 8.250 4.491 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.034 9.925 4.814 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.831 8.539 5.262 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.599 7.583 4.432 1.00 0.00 H new ATOM 616 N GLU A 41 1.355 9.149 1.532 1.00 0.00 N ATOM 617 CA GLU A 41 2.701 9.424 1.043 1.00 0.00 C ATOM 618 C GLU A 41 2.705 9.591 -0.473 1.00 0.00 C ATOM 619 O GLU A 41 3.530 10.319 -1.027 1.00 0.00 O ATOM 620 CB GLU A 41 3.654 8.297 1.446 1.00 0.00 C ATOM 621 CG GLU A 41 3.706 8.049 2.944 1.00 0.00 C ATOM 622 CD GLU A 41 4.456 9.136 3.690 1.00 0.00 C ATOM 623 OE1 GLU A 41 4.007 10.301 3.651 1.00 0.00 O ATOM 624 OE2 GLU A 41 5.492 8.821 4.312 1.00 0.00 O ATOM 0 H GLU A 41 0.942 8.289 1.170 1.00 0.00 H new ATOM 0 HA GLU A 41 3.041 10.356 1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.349 7.378 0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.656 8.536 1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.690 7.982 3.333 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.184 7.088 3.133 1.00 0.00 H new ATOM 631 N LEU A 42 1.779 8.911 -1.140 1.00 0.00 N ATOM 632 CA LEU A 42 1.675 8.982 -2.593 1.00 0.00 C ATOM 633 C LEU A 42 0.431 9.759 -3.013 1.00 0.00 C ATOM 634 O LEU A 42 0.232 10.038 -4.195 1.00 0.00 O ATOM 635 CB LEU A 42 1.638 7.575 -3.192 1.00 0.00 C ATOM 636 CG LEU A 42 2.738 6.619 -2.728 1.00 0.00 C ATOM 637 CD1 LEU A 42 2.392 5.186 -3.102 1.00 0.00 C ATOM 638 CD2 LEU A 42 4.079 7.020 -3.325 1.00 0.00 C ATOM 0 H LEU A 42 1.089 8.304 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 42 2.553 9.507 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.672 7.127 -2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.694 7.662 -4.277 1.00 0.00 H new ATOM 0 HG LEU A 42 2.813 6.681 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.186 4.520 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.453 4.902 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.289 5.107 -4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.850 6.329 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.017 6.987 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.331 8.031 -3.006 1.00 0.00 H new ATOM 650 N GLN A 43 -0.401 10.105 -2.036 1.00 0.00 N ATOM 651 CA GLN A 43 -1.626 10.850 -2.304 1.00 0.00 C ATOM 652 C GLN A 43 -2.528 10.087 -3.269 1.00 0.00 C ATOM 653 O GLN A 43 -3.289 10.686 -4.028 1.00 0.00 O ATOM 654 CB GLN A 43 -1.293 12.227 -2.881 1.00 0.00 C ATOM 655 CG GLN A 43 -0.650 13.169 -1.875 1.00 0.00 C ATOM 656 CD GLN A 43 0.849 12.973 -1.768 1.00 0.00 C ATOM 657 OE1 GLN A 43 1.265 12.035 -0.925 1.00 0.00 O flip ATOM 658 NE2 GLN A 43 1.626 13.657 -2.435 1.00 0.00 N flip ATOM 0 H GLN A 43 -0.250 9.882 -1.052 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.158 10.976 -1.361 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.622 12.103 -3.731 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.207 12.683 -3.261 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.858 14.199 -2.163 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.104 13.014 -0.896 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.263 14.367 -3.071 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.632 13.513 -2.352 1.00 0.00 H new ATOM 667 N ILE A 44 -2.437 8.762 -3.232 1.00 0.00 N ATOM 668 CA ILE A 44 -3.245 7.917 -4.102 1.00 0.00 C ATOM 669 C ILE A 44 -4.404 7.288 -3.336 1.00 0.00 C ATOM 670 O ILE A 44 -4.245 6.782 -2.225 1.00 0.00 O ATOM 671 CB ILE A 44 -2.402 6.798 -4.743 1.00 0.00 C ATOM 672 CG1 ILE A 44 -1.208 7.395 -5.491 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.258 5.962 -5.683 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.331 6.357 -6.155 1.00 0.00 C ATOM 0 H ILE A 44 -1.812 8.251 -2.609 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.638 8.561 -4.889 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.025 6.149 -3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.574 8.088 -6.248 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.605 7.975 -4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.648 5.176 -6.128 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.079 5.512 -5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.661 6.598 -6.471 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.495 6.852 -6.666 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.064 5.678 -5.400 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.919 5.792 -6.878 1.00 0.00 H new ATOM 686 N PRO A 45 -5.600 7.319 -3.942 1.00 0.00 N ATOM 687 CA PRO A 45 -6.810 6.754 -3.336 1.00 0.00 C ATOM 688 C PRO A 45 -6.771 5.231 -3.274 1.00 0.00 C ATOM 689 O PRO A 45 -6.502 4.566 -4.274 1.00 0.00 O ATOM 690 CB PRO A 45 -7.927 7.223 -4.272 1.00 0.00 C ATOM 691 CG PRO A 45 -7.257 7.437 -5.585 1.00 0.00 C ATOM 692 CD PRO A 45 -5.864 7.906 -5.267 1.00 0.00 C ATOM 0 HA PRO A 45 -6.937 7.077 -2.303 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.718 6.477 -4.348 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.388 8.141 -3.909 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.235 6.516 -6.167 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.792 8.177 -6.180 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.145 7.561 -6.010 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.802 8.994 -5.244 1.00 0.00 H new ATOM 700 N VAL A 46 -7.040 4.685 -2.093 1.00 0.00 N ATOM 701 CA VAL A 46 -7.038 3.239 -1.901 1.00 0.00 C ATOM 702 C VAL A 46 -7.996 2.554 -2.868 1.00 0.00 C ATOM 703 O VAL A 46 -7.892 1.353 -3.115 1.00 0.00 O ATOM 704 CB VAL A 46 -7.426 2.864 -0.458 1.00 0.00 C ATOM 705 CG1 VAL A 46 -7.384 1.355 -0.269 1.00 0.00 C ATOM 706 CG2 VAL A 46 -6.510 3.560 0.537 1.00 0.00 C ATOM 0 H VAL A 46 -7.262 5.222 -1.254 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.022 2.895 -2.097 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.446 3.201 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.661 1.109 0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.085 0.882 -0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.376 0.991 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.798 3.284 1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.479 3.256 0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.596 4.640 0.417 1.00 0.00 H new ATOM 716 N SER A 47 -8.931 3.327 -3.413 1.00 0.00 N ATOM 717 CA SER A 47 -9.911 2.794 -4.351 1.00 0.00 C ATOM 718 C SER A 47 -9.278 2.547 -5.717 1.00 0.00 C ATOM 719 O SER A 47 -9.789 1.767 -6.520 1.00 0.00 O ATOM 720 CB SER A 47 -11.091 3.758 -4.491 1.00 0.00 C ATOM 721 OG SER A 47 -11.729 3.968 -3.243 1.00 0.00 O ATOM 0 H SER A 47 -9.030 4.324 -3.221 1.00 0.00 H new ATOM 0 HA SER A 47 -10.272 1.843 -3.959 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.741 4.711 -4.889 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.809 3.358 -5.207 1.00 0.00 H new ATOM 0 HG SER A 47 -12.478 4.589 -3.359 1.00 0.00 H new ATOM 727 N LYS A 48 -8.160 3.218 -5.974 1.00 0.00 N ATOM 728 CA LYS A 48 -7.454 3.073 -7.241 1.00 0.00 C ATOM 729 C LYS A 48 -6.166 2.277 -7.058 1.00 0.00 C ATOM 730 O LYS A 48 -5.421 2.056 -8.012 1.00 0.00 O ATOM 731 CB LYS A 48 -7.136 4.448 -7.832 1.00 0.00 C ATOM 732 CG LYS A 48 -8.366 5.309 -8.066 1.00 0.00 C ATOM 733 CD LYS A 48 -8.908 5.135 -9.475 1.00 0.00 C ATOM 734 CE LYS A 48 -10.222 5.879 -9.662 1.00 0.00 C ATOM 735 NZ LYS A 48 -10.712 5.796 -11.066 1.00 0.00 N ATOM 0 H LYS A 48 -7.723 3.868 -5.321 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.102 2.530 -7.929 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.457 4.974 -7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.611 4.315 -8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.138 5.046 -7.343 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.115 6.356 -7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.176 5.500 -10.195 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.056 4.075 -9.681 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.973 5.464 -8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.090 6.925 -9.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.609 6.315 -11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.007 6.215 -11.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.863 4.800 -11.323 1.00 0.00 H new ATOM 749 N MET A 49 -5.911 1.848 -5.826 1.00 0.00 N ATOM 750 CA MET A 49 -4.714 1.074 -5.519 1.00 0.00 C ATOM 751 C MET A 49 -5.070 -0.374 -5.198 1.00 0.00 C ATOM 752 O MET A 49 -6.153 -0.658 -4.686 1.00 0.00 O ATOM 753 CB MET A 49 -3.963 1.700 -4.342 1.00 0.00 C ATOM 754 CG MET A 49 -3.712 3.190 -4.505 1.00 0.00 C ATOM 755 SD MET A 49 -3.884 4.097 -2.956 1.00 0.00 S ATOM 756 CE MET A 49 -2.428 3.541 -2.074 1.00 0.00 C ATOM 0 H MET A 49 -6.517 2.023 -5.025 1.00 0.00 H new ATOM 0 HA MET A 49 -4.070 1.085 -6.398 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.533 1.534 -3.428 1.00 0.00 H new ATOM 0 HB3 MET A 49 -3.007 1.190 -4.219 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.709 3.344 -4.902 1.00 0.00 H new ATOM 0 HG3 MET A 49 -4.411 3.594 -5.238 1.00 0.00 H new ATOM 0 HE1 MET A 49 -2.393 4.016 -1.094 1.00 0.00 H new ATOM 0 HE2 MET A 49 -2.468 2.459 -1.952 1.00 0.00 H new ATOM 0 HE3 MET A 49 -1.536 3.810 -2.639 1.00 0.00 H new ATOM 766 N LEU A 50 -4.153 -1.285 -5.502 1.00 0.00 N ATOM 767 CA LEU A 50 -4.371 -2.705 -5.246 1.00 0.00 C ATOM 768 C LEU A 50 -3.185 -3.312 -4.503 1.00 0.00 C ATOM 769 O LEU A 50 -2.105 -3.483 -5.070 1.00 0.00 O ATOM 770 CB LEU A 50 -4.600 -3.452 -6.562 1.00 0.00 C ATOM 771 CG LEU A 50 -5.640 -2.846 -7.505 1.00 0.00 C ATOM 772 CD1 LEU A 50 -5.489 -3.420 -8.905 1.00 0.00 C ATOM 773 CD2 LEU A 50 -7.046 -3.090 -6.975 1.00 0.00 C ATOM 0 H LEU A 50 -3.251 -1.066 -5.926 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.258 -2.804 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.650 -3.513 -7.092 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.901 -4.473 -6.329 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.474 -1.770 -7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.237 -2.977 -9.562 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.493 -3.194 -9.285 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.629 -4.501 -8.872 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.774 -2.652 -7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.223 -4.162 -6.895 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.149 -2.630 -5.992 1.00 0.00 H new ATOM 785 N LEU A 51 -3.395 -3.639 -3.233 1.00 0.00 N ATOM 786 CA LEU A 51 -2.344 -4.230 -2.412 1.00 0.00 C ATOM 787 C LEU A 51 -2.073 -5.672 -2.829 1.00 0.00 C ATOM 788 O LEU A 51 -2.936 -6.540 -2.698 1.00 0.00 O ATOM 789 CB LEU A 51 -2.735 -4.180 -0.934 1.00 0.00 C ATOM 790 CG LEU A 51 -1.580 -4.221 0.068 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.588 -5.311 -0.305 1.00 0.00 C ATOM 792 CD2 LEU A 51 -0.888 -2.867 0.139 1.00 0.00 C ATOM 0 H LEU A 51 -4.283 -3.505 -2.749 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.433 -3.651 -2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.307 -3.269 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.400 -5.018 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.986 -4.451 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.227 -5.325 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.092 -6.278 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.187 -5.113 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.069 -2.914 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.495 -2.607 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.604 -2.109 0.455 1.00 0.00 H new ATOM 804 N LYS A 52 -0.868 -5.921 -3.330 1.00 0.00 N ATOM 805 CA LYS A 52 -0.481 -7.258 -3.764 1.00 0.00 C ATOM 806 C LYS A 52 0.890 -7.634 -3.210 1.00 0.00 C ATOM 807 O LYS A 52 1.566 -6.814 -2.590 1.00 0.00 O ATOM 808 CB LYS A 52 -0.464 -7.336 -5.292 1.00 0.00 C ATOM 809 CG LYS A 52 -1.847 -7.281 -5.919 1.00 0.00 C ATOM 810 CD LYS A 52 -1.873 -7.973 -7.272 1.00 0.00 C ATOM 811 CE LYS A 52 -2.951 -7.391 -8.174 1.00 0.00 C ATOM 812 NZ LYS A 52 -4.318 -7.775 -7.723 1.00 0.00 N ATOM 0 H LYS A 52 -0.142 -5.214 -3.446 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.216 -7.965 -3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.136 -6.514 -5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.027 -8.261 -5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.569 -7.754 -5.253 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.154 -6.242 -6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.900 -7.871 -7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.050 -9.040 -7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.865 -6.304 -8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.795 -7.737 -9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.024 -7.359 -8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.409 -8.811 -7.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.476 -7.423 -6.757 1.00 0.00 H new ATOM 826 N GLY A 53 1.296 -8.879 -3.441 1.00 0.00 N ATOM 827 CA GLY A 53 2.585 -9.341 -2.959 1.00 0.00 C ATOM 828 C GLY A 53 2.457 -10.421 -1.904 1.00 0.00 C ATOM 829 O GLY A 53 3.365 -11.232 -1.723 1.00 0.00 O ATOM 0 H GLY A 53 0.755 -9.576 -3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.167 -9.724 -3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.138 -8.498 -2.546 1.00 0.00 H new ATOM 833 N TRP A 54 1.327 -10.432 -1.205 1.00 0.00 N ATOM 834 CA TRP A 54 1.085 -11.421 -0.161 1.00 0.00 C ATOM 835 C TRP A 54 1.539 -12.806 -0.606 1.00 0.00 C ATOM 836 O TRP A 54 1.237 -13.242 -1.717 1.00 0.00 O ATOM 837 CB TRP A 54 -0.400 -11.451 0.206 1.00 0.00 C ATOM 838 CG TRP A 54 -0.923 -10.128 0.677 1.00 0.00 C ATOM 839 CD1 TRP A 54 -1.848 -9.343 0.051 1.00 0.00 C ATOM 840 CD2 TRP A 54 -0.548 -9.434 1.872 1.00 0.00 C ATOM 841 NE1 TRP A 54 -2.072 -8.203 0.785 1.00 0.00 N ATOM 842 CE2 TRP A 54 -1.287 -8.236 1.908 1.00 0.00 C ATOM 843 CE3 TRP A 54 0.338 -9.710 2.917 1.00 0.00 C ATOM 844 CZ2 TRP A 54 -1.165 -7.316 2.946 1.00 0.00 C ATOM 845 CZ3 TRP A 54 0.459 -8.796 3.947 1.00 0.00 C ATOM 846 CH2 TRP A 54 -0.290 -7.612 3.956 1.00 0.00 C ATOM 0 H TRP A 54 0.565 -9.768 -1.342 1.00 0.00 H new ATOM 0 HA TRP A 54 1.664 -11.135 0.717 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.975 -11.772 -0.662 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.559 -12.195 0.987 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.333 -9.583 -0.884 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.718 -7.454 0.535 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.918 -10.621 2.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.740 -6.402 2.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.142 -8.998 4.758 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.175 -6.919 4.776 1.00 0.00 H new ATOM 912 N VAL A 59 -4.386 -11.391 0.286 1.00 0.00 N ATOM 913 CA VAL A 59 -4.842 -11.124 1.646 1.00 0.00 C ATOM 914 C VAL A 59 -5.920 -10.047 1.663 1.00 0.00 C ATOM 915 O VAL A 59 -5.821 -9.045 0.955 1.00 0.00 O ATOM 916 CB VAL A 59 -3.676 -10.684 2.552 1.00 0.00 C ATOM 917 CG1 VAL A 59 -4.202 -10.157 3.878 1.00 0.00 C ATOM 918 CG2 VAL A 59 -2.708 -11.836 2.772 1.00 0.00 C ATOM 0 HA VAL A 59 -5.259 -12.056 2.029 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.136 -9.877 2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.365 -9.851 4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.852 -9.301 3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.766 -10.941 4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.891 -11.507 3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.232 -12.666 3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.307 -12.162 1.813 1.00 0.00 H new ATOM 928 N GLU A 60 -6.949 -10.261 2.476 1.00 0.00 N ATOM 929 CA GLU A 60 -8.047 -9.307 2.585 1.00 0.00 C ATOM 930 C GLU A 60 -7.758 -8.265 3.662 1.00 0.00 C ATOM 931 O GLU A 60 -6.972 -8.507 4.579 1.00 0.00 O ATOM 932 CB GLU A 60 -9.355 -10.035 2.901 1.00 0.00 C ATOM 933 CG GLU A 60 -9.293 -10.877 4.164 1.00 0.00 C ATOM 934 CD GLU A 60 -10.594 -11.603 4.445 1.00 0.00 C ATOM 935 OE1 GLU A 60 -11.346 -11.866 3.483 1.00 0.00 O ATOM 936 OE2 GLU A 60 -10.861 -11.908 5.626 1.00 0.00 O ATOM 0 H GLU A 60 -7.046 -11.086 3.069 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.147 -8.796 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.154 -9.301 3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.617 -10.676 2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.487 -11.605 4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.048 -10.237 5.011 1.00 0.00 H new ATOM 943 N ASP A 61 -8.399 -7.108 3.544 1.00 0.00 N ATOM 944 CA ASP A 61 -8.212 -6.029 4.508 1.00 0.00 C ATOM 945 C ASP A 61 -8.738 -6.431 5.882 1.00 0.00 C ATOM 946 O ASP A 61 -8.564 -5.706 6.861 1.00 0.00 O ATOM 947 CB ASP A 61 -8.919 -4.760 4.028 1.00 0.00 C ATOM 948 CG ASP A 61 -10.339 -5.026 3.571 1.00 0.00 C ATOM 949 OD1 ASP A 61 -11.160 -5.461 4.406 1.00 0.00 O ATOM 950 OD2 ASP A 61 -10.631 -4.801 2.377 1.00 0.00 O ATOM 0 H ASP A 61 -9.052 -6.893 2.791 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.144 -5.831 4.592 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.931 -4.027 4.835 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.353 -4.320 3.207 1.00 0.00 H new ATOM 955 N SER A 62 -9.385 -7.591 5.947 1.00 0.00 N ATOM 956 CA SER A 62 -9.941 -8.087 7.200 1.00 0.00 C ATOM 957 C SER A 62 -8.914 -8.924 7.957 1.00 0.00 C ATOM 958 O SER A 62 -9.187 -9.428 9.047 1.00 0.00 O ATOM 959 CB SER A 62 -11.196 -8.919 6.932 1.00 0.00 C ATOM 960 OG SER A 62 -12.270 -8.099 6.505 1.00 0.00 O ATOM 0 H SER A 62 -9.537 -8.204 5.146 1.00 0.00 H new ATOM 0 HA SER A 62 -10.208 -7.228 7.815 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.983 -9.670 6.171 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.481 -9.455 7.837 1.00 0.00 H new ATOM 0 HG SER A 62 -13.060 -8.655 6.339 1.00 0.00 H new ATOM 966 N THR A 63 -7.730 -9.068 7.370 1.00 0.00 N ATOM 967 CA THR A 63 -6.661 -9.845 7.987 1.00 0.00 C ATOM 968 C THR A 63 -5.639 -8.936 8.659 1.00 0.00 C ATOM 969 O THR A 63 -5.419 -7.804 8.226 1.00 0.00 O ATOM 970 CB THR A 63 -5.942 -10.730 6.952 1.00 0.00 C ATOM 971 OG1 THR A 63 -6.897 -11.518 6.233 1.00 0.00 O ATOM 972 CG2 THR A 63 -4.932 -11.643 7.630 1.00 0.00 C ATOM 0 H THR A 63 -7.487 -8.657 6.469 1.00 0.00 H new ATOM 0 HA THR A 63 -7.126 -10.482 8.739 1.00 0.00 H new ATOM 0 HB THR A 63 -5.411 -10.080 6.257 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.432 -12.077 5.576 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.437 -12.259 6.879 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.189 -11.040 8.152 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.445 -12.286 8.345 1.00 0.00 H new ATOM 980 N VAL A 64 -5.015 -9.438 9.720 1.00 0.00 N ATOM 981 CA VAL A 64 -4.013 -8.671 10.452 1.00 0.00 C ATOM 982 C VAL A 64 -2.612 -9.217 10.200 1.00 0.00 C ATOM 983 O VAL A 64 -2.419 -10.426 10.070 1.00 0.00 O ATOM 984 CB VAL A 64 -4.293 -8.684 11.967 1.00 0.00 C ATOM 985 CG1 VAL A 64 -4.229 -10.104 12.510 1.00 0.00 C ATOM 986 CG2 VAL A 64 -3.312 -7.780 12.697 1.00 0.00 C ATOM 0 H VAL A 64 -5.185 -10.372 10.092 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.071 -7.645 10.088 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.299 -8.301 12.137 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.429 -10.093 13.581 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.975 -10.720 12.008 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.237 -10.518 12.331 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.524 -7.801 13.766 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.295 -8.130 12.522 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.413 -6.760 12.327 1.00 0.00 H new ATOM 996 N LEU A 65 -1.637 -8.317 10.133 1.00 0.00 N ATOM 997 CA LEU A 65 -0.251 -8.708 9.897 1.00 0.00 C ATOM 998 C LEU A 65 0.162 -9.841 10.831 1.00 0.00 C ATOM 999 O LEU A 65 0.565 -10.914 10.382 1.00 0.00 O ATOM 1000 CB LEU A 65 0.678 -7.508 10.092 1.00 0.00 C ATOM 1001 CG LEU A 65 0.310 -6.242 9.316 1.00 0.00 C ATOM 1002 CD1 LEU A 65 0.762 -5.003 10.073 1.00 0.00 C ATOM 1003 CD2 LEU A 65 0.923 -6.272 7.924 1.00 0.00 C ATOM 0 H LEU A 65 -1.780 -7.313 10.239 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.169 -9.061 8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.706 -7.264 11.154 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.687 -7.805 9.807 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.774 -6.205 9.212 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.492 -4.112 9.506 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.275 -4.974 11.048 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.843 -5.033 10.208 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.651 -5.364 7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.008 -6.334 8.006 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.550 -7.140 7.381 1.00 0.00 H new ATOM 1015 N LYS A 66 0.056 -9.597 12.133 1.00 0.00 N ATOM 1016 CA LYS A 66 0.414 -10.597 13.131 1.00 0.00 C ATOM 1017 C LYS A 66 -0.124 -11.970 12.743 1.00 0.00 C ATOM 1018 O LYS A 66 0.395 -12.997 13.181 1.00 0.00 O ATOM 1019 CB LYS A 66 -0.129 -10.194 14.504 1.00 0.00 C ATOM 1020 CG LYS A 66 -1.521 -10.731 14.789 1.00 0.00 C ATOM 1021 CD LYS A 66 -2.300 -9.804 15.707 1.00 0.00 C ATOM 1022 CE LYS A 66 -1.930 -10.023 17.166 1.00 0.00 C ATOM 1023 NZ LYS A 66 -0.632 -9.382 17.512 1.00 0.00 N ATOM 0 H LYS A 66 -0.275 -8.714 12.522 1.00 0.00 H new ATOM 0 HA LYS A 66 1.502 -10.653 13.179 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.554 -10.551 15.275 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.147 -9.106 14.573 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.063 -10.855 13.851 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.445 -11.717 15.246 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.102 -8.768 15.432 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.369 -9.971 15.573 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.716 -9.619 17.804 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.872 -11.092 17.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.640 -9.099 18.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.143 -10.057 17.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.490 -8.542 16.916 1.00 0.00 H new ATOM 1037 N SER A 67 -1.166 -11.981 11.918 1.00 0.00 N ATOM 1038 CA SER A 67 -1.775 -13.229 11.472 1.00 0.00 C ATOM 1039 C SER A 67 -0.833 -13.994 10.548 1.00 0.00 C ATOM 1040 O SER A 67 -0.644 -15.202 10.697 1.00 0.00 O ATOM 1041 CB SER A 67 -3.096 -12.948 10.753 1.00 0.00 C ATOM 1042 OG SER A 67 -3.865 -14.130 10.619 1.00 0.00 O ATOM 0 H SER A 67 -1.606 -11.140 11.545 1.00 0.00 H new ATOM 0 HA SER A 67 -1.971 -13.843 12.351 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.664 -12.202 11.308 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.895 -12.527 9.768 1.00 0.00 H new ATOM 0 HG SER A 67 -4.705 -13.923 10.158 1.00 0.00 H new ATOM 1048 N LEU A 68 -0.244 -13.283 9.594 1.00 0.00 N ATOM 1049 CA LEU A 68 0.680 -13.894 8.644 1.00 0.00 C ATOM 1050 C LEU A 68 2.085 -13.981 9.230 1.00 0.00 C ATOM 1051 O LEU A 68 2.873 -14.850 8.855 1.00 0.00 O ATOM 1052 CB LEU A 68 0.708 -13.091 7.342 1.00 0.00 C ATOM 1053 CG LEU A 68 -0.631 -12.940 6.618 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -0.622 -11.704 5.733 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -0.936 -14.184 5.796 1.00 0.00 C ATOM 0 H LEU A 68 -0.389 -12.283 9.457 1.00 0.00 H new ATOM 0 HA LEU A 68 0.330 -14.905 8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.094 -12.096 7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.415 -13.565 6.661 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.415 -12.821 7.366 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.582 -11.613 5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.450 -10.819 6.346 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.173 -11.793 4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.892 -14.059 5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.149 -14.334 5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.986 -15.052 6.454 1.00 0.00 H new ATOM 1067 N HIS A 69 2.392 -13.077 10.155 1.00 0.00 N ATOM 1068 CA HIS A 69 3.702 -13.054 10.797 1.00 0.00 C ATOM 1069 C HIS A 69 4.802 -12.774 9.776 1.00 0.00 C ATOM 1070 O HIS A 69 5.759 -13.539 9.655 1.00 0.00 O ATOM 1071 CB HIS A 69 3.971 -14.384 11.502 1.00 0.00 C ATOM 1072 CG HIS A 69 3.049 -14.649 12.652 1.00 0.00 C ATOM 1073 ND1 HIS A 69 3.046 -13.893 13.805 1.00 0.00 N ATOM 1074 CD2 HIS A 69 2.094 -15.593 12.821 1.00 0.00 C ATOM 1075 CE1 HIS A 69 2.131 -14.362 14.634 1.00 0.00 C ATOM 1076 NE2 HIS A 69 1.538 -15.393 14.060 1.00 0.00 N ATOM 0 H HIS A 69 1.752 -12.351 10.477 1.00 0.00 H new ATOM 0 HA HIS A 69 3.704 -12.253 11.536 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.879 -15.194 10.779 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.000 -14.393 11.862 1.00 0.00 H new ATOM 0 HD2 HIS A 69 1.820 -16.361 12.113 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.906 -13.969 15.615 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.789 -15.950 14.471 1.00 0.00 H new ATOM 1085 N LEU A 70 4.657 -11.675 9.045 1.00 0.00 N ATOM 1086 CA LEU A 70 5.638 -11.294 8.035 1.00 0.00 C ATOM 1087 C LEU A 70 7.024 -11.140 8.652 1.00 0.00 C ATOM 1088 O LEU A 70 7.174 -10.831 9.834 1.00 0.00 O ATOM 1089 CB LEU A 70 5.221 -9.987 7.358 1.00 0.00 C ATOM 1090 CG LEU A 70 4.137 -10.103 6.286 1.00 0.00 C ATOM 1091 CD1 LEU A 70 4.414 -11.286 5.371 1.00 0.00 C ATOM 1092 CD2 LEU A 70 2.763 -10.234 6.928 1.00 0.00 C ATOM 0 H LEU A 70 3.870 -11.032 9.132 1.00 0.00 H new ATOM 0 HA LEU A 70 5.679 -12.086 7.288 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.871 -9.298 8.127 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.105 -9.537 6.905 1.00 0.00 H new ATOM 0 HG LEU A 70 4.150 -9.194 5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.632 -11.352 4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.379 -11.151 4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.430 -12.204 5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.004 -10.315 6.150 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.738 -11.126 7.554 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.562 -9.355 7.540 1.00 0.00 H new ATOM 1104 N PRO A 71 8.064 -11.358 7.833 1.00 0.00 N ATOM 1105 CA PRO A 71 9.457 -11.247 8.276 1.00 0.00 C ATOM 1106 C PRO A 71 9.861 -9.805 8.564 1.00 0.00 C ATOM 1107 O PRO A 71 9.199 -8.864 8.124 1.00 0.00 O ATOM 1108 CB PRO A 71 10.252 -11.797 7.089 1.00 0.00 C ATOM 1109 CG PRO A 71 9.369 -11.580 5.909 1.00 0.00 C ATOM 1110 CD PRO A 71 7.960 -11.730 6.412 1.00 0.00 C ATOM 0 HA PRO A 71 9.631 -11.783 9.209 1.00 0.00 H new ATOM 0 HB2 PRO A 71 11.202 -11.276 6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.482 -12.854 7.222 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.527 -10.590 5.480 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.582 -12.305 5.124 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.270 -11.079 5.875 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.596 -12.750 6.289 1.00 0.00 H new ATOM 1118 N LYS A 72 10.951 -9.637 9.305 1.00 0.00 N ATOM 1119 CA LYS A 72 11.444 -8.309 9.651 1.00 0.00 C ATOM 1120 C LYS A 72 11.335 -7.361 8.461 1.00 0.00 C ATOM 1121 O LYS A 72 10.845 -6.240 8.591 1.00 0.00 O ATOM 1122 CB LYS A 72 12.898 -8.389 10.121 1.00 0.00 C ATOM 1123 CG LYS A 72 13.459 -7.060 10.595 1.00 0.00 C ATOM 1124 CD LYS A 72 14.968 -6.999 10.428 1.00 0.00 C ATOM 1125 CE LYS A 72 15.492 -5.582 10.607 1.00 0.00 C ATOM 1126 NZ LYS A 72 16.885 -5.569 11.133 1.00 0.00 N ATOM 0 H LYS A 72 11.510 -10.404 9.678 1.00 0.00 H new ATOM 0 HA LYS A 72 10.827 -7.920 10.461 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.969 -9.114 10.932 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.515 -8.763 9.304 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.997 -6.248 10.033 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.202 -6.909 11.643 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.442 -7.658 11.155 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.241 -7.367 9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.460 -5.059 9.651 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.840 -5.037 11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 17.206 -4.586 11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.912 -6.046 12.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 17.512 -6.067 10.469 1.00 0.00 H new ATOM 1140 N ASN A 73 11.794 -7.819 7.301 1.00 0.00 N ATOM 1141 CA ASN A 73 11.747 -7.012 6.087 1.00 0.00 C ATOM 1142 C ASN A 73 10.748 -7.588 5.089 1.00 0.00 C ATOM 1143 O ASN A 73 10.742 -8.790 4.825 1.00 0.00 O ATOM 1144 CB ASN A 73 13.135 -6.931 5.449 1.00 0.00 C ATOM 1145 CG ASN A 73 13.296 -5.708 4.567 1.00 0.00 C ATOM 1146 OD1 ASN A 73 13.895 -4.711 4.973 1.00 0.00 O ATOM 1147 ND2 ASN A 73 12.761 -5.778 3.354 1.00 0.00 N ATOM 0 H ASN A 73 12.203 -8.745 7.176 1.00 0.00 H new ATOM 0 HA ASN A 73 11.422 -6.008 6.360 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.892 -6.912 6.233 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.312 -7.829 4.857 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.837 -4.986 2.716 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.274 -6.624 3.060 1.00 0.00 H new ATOM 1154 N ASN A 74 9.905 -6.722 4.536 1.00 0.00 N ATOM 1155 CA ASN A 74 8.901 -7.145 3.566 1.00 0.00 C ATOM 1156 C ASN A 74 9.058 -6.383 2.254 1.00 0.00 C ATOM 1157 O ASN A 74 9.692 -5.329 2.208 1.00 0.00 O ATOM 1158 CB ASN A 74 7.495 -6.929 4.129 1.00 0.00 C ATOM 1159 CG ASN A 74 7.442 -7.103 5.635 1.00 0.00 C ATOM 1160 OD1 ASN A 74 7.094 -6.176 6.366 1.00 0.00 O ATOM 1161 ND2 ASN A 74 7.789 -8.296 6.105 1.00 0.00 N ATOM 0 H ASN A 74 9.897 -5.723 4.743 1.00 0.00 H new ATOM 0 HA ASN A 74 9.047 -8.207 3.369 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.153 -5.927 3.869 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.807 -7.632 3.660 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.774 -8.473 7.109 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.071 -9.035 5.461 1.00 0.00 H new ATOM 1168 N SER A 75 8.476 -6.924 1.188 1.00 0.00 N ATOM 1169 CA SER A 75 8.554 -6.297 -0.126 1.00 0.00 C ATOM 1170 C SER A 75 7.207 -6.365 -0.840 1.00 0.00 C ATOM 1171 O SER A 75 6.779 -7.431 -1.284 1.00 0.00 O ATOM 1172 CB SER A 75 9.629 -6.977 -0.976 1.00 0.00 C ATOM 1173 OG SER A 75 9.437 -8.380 -1.015 1.00 0.00 O ATOM 0 H SER A 75 7.945 -7.795 1.209 1.00 0.00 H new ATOM 0 HA SER A 75 8.820 -5.249 0.013 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.604 -6.575 -1.989 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.615 -6.753 -0.568 1.00 0.00 H new ATOM 0 HG SER A 75 8.478 -8.579 -1.004 1.00 0.00 H new ATOM 1179 N LEU A 76 6.544 -5.219 -0.948 1.00 0.00 N ATOM 1180 CA LEU A 76 5.245 -5.146 -1.608 1.00 0.00 C ATOM 1181 C LEU A 76 5.293 -4.197 -2.802 1.00 0.00 C ATOM 1182 O LEU A 76 6.299 -3.525 -3.033 1.00 0.00 O ATOM 1183 CB LEU A 76 4.173 -4.685 -0.619 1.00 0.00 C ATOM 1184 CG LEU A 76 3.758 -5.702 0.444 1.00 0.00 C ATOM 1185 CD1 LEU A 76 2.966 -5.025 1.551 1.00 0.00 C ATOM 1186 CD2 LEU A 76 2.948 -6.828 -0.183 1.00 0.00 C ATOM 0 H LEU A 76 6.884 -4.328 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 76 4.993 -6.143 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.534 -3.789 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.286 -4.397 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 76 4.660 -6.130 0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.679 -5.765 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.580 -4.255 2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.070 -4.568 1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.661 -7.543 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.052 -6.417 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.550 -7.332 -0.939 1.00 0.00 H new ATOM 1198 N TYR A 77 4.201 -4.146 -3.555 1.00 0.00 N ATOM 1199 CA TYR A 77 4.119 -3.280 -4.725 1.00 0.00 C ATOM 1200 C TYR A 77 2.670 -2.907 -5.026 1.00 0.00 C ATOM 1201 O TYR A 77 1.750 -3.684 -4.769 1.00 0.00 O ATOM 1202 CB TYR A 77 4.743 -3.968 -5.940 1.00 0.00 C ATOM 1203 CG TYR A 77 4.163 -5.335 -6.225 1.00 0.00 C ATOM 1204 CD1 TYR A 77 4.638 -6.463 -5.567 1.00 0.00 C ATOM 1205 CD2 TYR A 77 3.143 -5.499 -7.154 1.00 0.00 C ATOM 1206 CE1 TYR A 77 4.112 -7.715 -5.825 1.00 0.00 C ATOM 1207 CE2 TYR A 77 2.610 -6.746 -7.417 1.00 0.00 C ATOM 1208 CZ TYR A 77 3.098 -7.851 -6.750 1.00 0.00 C ATOM 1209 OH TYR A 77 2.572 -9.095 -7.011 1.00 0.00 O ATOM 0 H TYR A 77 3.360 -4.694 -3.376 1.00 0.00 H new ATOM 0 HA TYR A 77 4.673 -2.367 -4.509 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.606 -3.334 -6.816 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.817 -4.064 -5.781 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.432 -6.360 -4.842 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.760 -4.637 -7.680 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.493 -8.582 -5.305 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.816 -6.855 -8.141 1.00 0.00 H new ATOM 0 HH TYR A 77 1.866 -9.017 -7.686 1.00 0.00 H new ATOM 1219 N VAL A 78 2.475 -1.711 -5.573 1.00 0.00 N ATOM 1220 CA VAL A 78 1.140 -1.234 -5.912 1.00 0.00 C ATOM 1221 C VAL A 78 0.882 -1.342 -7.411 1.00 0.00 C ATOM 1222 O VAL A 78 1.809 -1.276 -8.218 1.00 0.00 O ATOM 1223 CB VAL A 78 0.938 0.228 -5.471 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -0.389 0.763 -5.986 1.00 0.00 C ATOM 1225 CG2 VAL A 78 1.017 0.343 -3.956 1.00 0.00 C ATOM 0 H VAL A 78 3.225 -1.055 -5.791 1.00 0.00 H new ATOM 0 HA VAL A 78 0.432 -1.868 -5.378 1.00 0.00 H new ATOM 0 HB VAL A 78 1.737 0.832 -5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.514 1.797 -5.664 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.402 0.718 -7.075 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.204 0.158 -5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.872 1.383 -3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.241 -0.274 -3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.995 0.003 -3.616 1.00 0.00 H new ATOM 1235 N LEU A 79 -0.385 -1.507 -7.776 1.00 0.00 N ATOM 1236 CA LEU A 79 -0.767 -1.623 -9.179 1.00 0.00 C ATOM 1237 C LEU A 79 -2.057 -0.859 -9.458 1.00 0.00 C ATOM 1238 O LEU A 79 -3.129 -1.232 -8.980 1.00 0.00 O ATOM 1239 CB LEU A 79 -0.940 -3.094 -9.561 1.00 0.00 C ATOM 1240 CG LEU A 79 0.007 -4.081 -8.878 1.00 0.00 C ATOM 1241 CD1 LEU A 79 -0.535 -4.487 -7.516 1.00 0.00 C ATOM 1242 CD2 LEU A 79 0.224 -5.306 -9.754 1.00 0.00 C ATOM 0 H LEU A 79 -1.164 -1.563 -7.120 1.00 0.00 H new ATOM 0 HA LEU A 79 0.029 -1.188 -9.783 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.965 -3.389 -9.335 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.812 -3.186 -10.640 1.00 0.00 H new ATOM 0 HG LEU A 79 0.968 -3.589 -8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.153 -5.190 -7.045 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.637 -3.603 -6.887 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.509 -4.960 -7.638 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.901 -5.997 -9.252 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.731 -5.799 -9.933 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.658 -5.000 -10.706 1.00 0.00 H new ATOM 1254 N THR A 80 -1.948 0.214 -10.236 1.00 0.00 N ATOM 1255 CA THR A 80 -3.105 1.031 -10.579 1.00 0.00 C ATOM 1256 C THR A 80 -3.507 0.830 -12.035 1.00 0.00 C ATOM 1257 O THR A 80 -2.983 1.475 -12.944 1.00 0.00 O ATOM 1258 CB THR A 80 -2.829 2.526 -10.336 1.00 0.00 C ATOM 1259 OG1 THR A 80 -1.775 2.976 -11.195 1.00 0.00 O ATOM 1260 CG2 THR A 80 -2.448 2.778 -8.885 1.00 0.00 C ATOM 0 H THR A 80 -1.069 0.537 -10.640 1.00 0.00 H new ATOM 0 HA THR A 80 -3.921 0.710 -9.932 1.00 0.00 H new ATOM 0 HB THR A 80 -3.741 3.081 -10.558 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.944 2.667 -12.110 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.258 3.841 -8.738 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.264 2.462 -8.235 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.549 2.212 -8.641 1.00 0.00 H new ATOM 1268 N PRO A 81 -4.460 -0.086 -12.266 1.00 0.00 N ATOM 1269 CA PRO A 81 -4.954 -0.391 -13.612 1.00 0.00 C ATOM 1270 C PRO A 81 -5.772 0.752 -14.203 1.00 0.00 C ATOM 1271 O PRO A 81 -5.704 1.022 -15.402 1.00 0.00 O ATOM 1272 CB PRO A 81 -5.836 -1.623 -13.394 1.00 0.00 C ATOM 1273 CG PRO A 81 -6.269 -1.532 -11.972 1.00 0.00 C ATOM 1274 CD PRO A 81 -5.128 -0.892 -11.231 1.00 0.00 C ATOM 0 HA PRO A 81 -4.140 -0.551 -14.319 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.692 -1.622 -14.069 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.283 -2.544 -13.581 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.178 -0.937 -11.878 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.491 -2.520 -11.568 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.481 -0.274 -10.406 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.456 -1.638 -10.806 1.00 0.00 H new ATOM 1282 N ASP A 82 -6.545 1.421 -13.354 1.00 0.00 N ATOM 1283 CA ASP A 82 -7.375 2.536 -13.792 1.00 0.00 C ATOM 1284 C ASP A 82 -6.591 3.845 -13.753 1.00 0.00 C ATOM 1285 O ASP A 82 -6.452 4.528 -14.769 1.00 0.00 O ATOM 1286 CB ASP A 82 -8.622 2.648 -12.913 1.00 0.00 C ATOM 1287 CG ASP A 82 -8.380 2.152 -11.501 1.00 0.00 C ATOM 1288 OD1 ASP A 82 -7.305 2.453 -10.941 1.00 0.00 O ATOM 1289 OD2 ASP A 82 -9.268 1.465 -10.954 1.00 0.00 O ATOM 0 H ASP A 82 -6.614 1.210 -12.358 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.681 2.347 -14.821 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.947 3.688 -12.879 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.433 2.075 -13.363 1.00 0.00 H new ATOM 1294 N LEU A 83 -6.082 4.189 -12.576 1.00 0.00 N ATOM 1295 CA LEU A 83 -5.313 5.416 -12.404 1.00 0.00 C ATOM 1296 C LEU A 83 -4.082 5.418 -13.305 1.00 0.00 C ATOM 1297 O LEU A 83 -3.308 4.462 -13.342 1.00 0.00 O ATOM 1298 CB LEU A 83 -4.889 5.576 -10.943 1.00 0.00 C ATOM 1299 CG LEU A 83 -4.698 7.012 -10.453 1.00 0.00 C ATOM 1300 CD1 LEU A 83 -6.042 7.706 -10.295 1.00 0.00 C ATOM 1301 CD2 LEU A 83 -3.930 7.029 -9.139 1.00 0.00 C ATOM 0 H LEU A 83 -6.188 3.635 -11.726 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.949 6.256 -12.685 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.638 5.095 -10.314 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -3.954 5.036 -10.796 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.117 7.555 -11.198 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.886 8.727 -9.946 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.556 7.726 -11.256 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.649 7.163 -9.570 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.803 8.059 -8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.485 6.469 -8.386 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.951 6.571 -9.284 1.00 0.00 H new