USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 568 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 Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000193) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.392 K(o=-0.39,f=-1.8!) USER MOD Single : A 64 HIS : no HE2:sc= -0.134 K(o=-0.13,f=-2.7) USER MOD Single : A 66 MET CE :methyl 134:sc= -0.467 (180deg=-1.75) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 78:sc= 0.23 USER MOD Single : A 76 SER OG : rot 100:sc= 0.0775 USER MOD Single : A 77 THR OG1 : rot 33:sc= 0.889 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -3.81! K(o=-3.8!,f=-1.1) USER MOD Single : A 86 THR OG1 : rot 163:sc= 1.26 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -139:sc= -1.23 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N MET A 9 -11.857 11.315 -8.996 1.00 0.00 N ATOM 84 CA MET A 9 -11.246 11.431 -7.678 1.00 0.00 C ATOM 85 C MET A 9 -9.949 10.630 -7.608 1.00 0.00 C ATOM 86 O MET A 9 -9.823 9.579 -8.236 1.00 0.00 O ATOM 87 CB MET A 9 -12.216 10.948 -6.598 1.00 0.00 C ATOM 88 CG MET A 9 -13.517 11.733 -6.555 1.00 0.00 C ATOM 89 SD MET A 9 -14.482 11.397 -5.070 1.00 0.00 S ATOM 90 CE MET A 9 -14.150 12.872 -4.109 1.00 0.00 C ATOM 0 HA MET A 9 -11.014 12.482 -7.504 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.442 9.895 -6.768 1.00 0.00 H new ATOM 0 HB3 MET A 9 -11.728 11.016 -5.626 1.00 0.00 H new ATOM 0 HG2 MET A 9 -13.295 12.799 -6.606 1.00 0.00 H new ATOM 0 HG3 MET A 9 -14.113 11.489 -7.434 1.00 0.00 H new ATOM 0 HE1 MET A 9 -14.679 12.813 -3.158 1.00 0.00 H new ATOM 0 HE2 MET A 9 -13.079 12.952 -3.924 1.00 0.00 H new ATOM 0 HE3 MET A 9 -14.489 13.749 -4.660 1.00 0.00 H new ATOM 100 N ILE A 10 -8.988 11.134 -6.840 1.00 0.00 N ATOM 101 CA ILE A 10 -7.703 10.465 -6.688 1.00 0.00 C ATOM 102 C ILE A 10 -7.862 9.120 -5.987 1.00 0.00 C ATOM 103 O ILE A 10 -7.138 8.168 -6.277 1.00 0.00 O ATOM 104 CB ILE A 10 -6.707 11.331 -5.894 1.00 0.00 C ATOM 105 CG1 ILE A 10 -6.553 12.704 -6.552 1.00 0.00 C ATOM 106 CG2 ILE A 10 -5.360 10.632 -5.792 1.00 0.00 C ATOM 107 CD1 ILE A 10 -5.720 12.678 -7.814 1.00 0.00 C ATOM 0 H ILE A 10 -9.076 12.003 -6.314 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.311 10.304 -7.692 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.097 11.474 -4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.542 13.099 -6.787 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.097 13.391 -5.839 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.668 11.257 -5.228 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.484 9.676 -5.282 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.962 10.461 -6.792 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.653 13.685 -8.227 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.719 12.314 -7.582 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.187 12.017 -8.544 1.00 0.00 H new ATOM 119 N ARG A 11 -8.816 9.050 -5.064 1.00 0.00 N ATOM 120 CA ARG A 11 -9.072 7.822 -4.322 1.00 0.00 C ATOM 121 C ARG A 11 -9.423 6.678 -5.268 1.00 0.00 C ATOM 122 O ARG A 11 -8.988 5.543 -5.073 1.00 0.00 O ATOM 123 CB ARG A 11 -10.206 8.034 -3.318 1.00 0.00 C ATOM 124 CG ARG A 11 -11.329 8.913 -3.845 1.00 0.00 C ATOM 125 CD ARG A 11 -12.659 8.568 -3.193 1.00 0.00 C ATOM 126 NE ARG A 11 -13.049 7.183 -3.444 1.00 0.00 N ATOM 127 CZ ARG A 11 -14.262 6.704 -3.193 1.00 0.00 C ATOM 128 NH1 ARG A 11 -15.199 7.495 -2.688 1.00 0.00 N ATOM 129 NH2 ARG A 11 -14.540 5.432 -3.449 1.00 0.00 N ATOM 0 H ARG A 11 -9.424 9.829 -4.813 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.163 7.558 -3.782 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.617 7.064 -3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.799 8.483 -2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.091 9.960 -3.658 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.410 8.793 -4.925 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.590 8.736 -2.118 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.432 9.237 -3.571 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.351 6.549 -3.833 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.989 8.474 -2.492 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.130 7.125 -2.496 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.822 4.821 -3.839 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.472 5.065 -3.256 1.00 0.00 H new ATOM 143 N GLU A 12 -10.214 6.985 -6.292 1.00 0.00 N ATOM 144 CA GLU A 12 -10.624 5.981 -7.267 1.00 0.00 C ATOM 145 C GLU A 12 -9.447 5.559 -8.142 1.00 0.00 C ATOM 146 O GLU A 12 -9.136 4.373 -8.251 1.00 0.00 O ATOM 147 CB GLU A 12 -11.757 6.522 -8.142 1.00 0.00 C ATOM 148 CG GLU A 12 -13.117 6.490 -7.466 1.00 0.00 C ATOM 149 CD GLU A 12 -13.734 5.104 -7.462 1.00 0.00 C ATOM 150 OE1 GLU A 12 -12.971 4.116 -7.468 1.00 0.00 O ATOM 151 OE2 GLU A 12 -14.979 5.009 -7.452 1.00 0.00 O ATOM 0 H GLU A 12 -10.583 7.920 -6.468 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.980 5.107 -6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.526 7.549 -8.427 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.804 5.939 -9.062 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.017 6.842 -6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.788 7.181 -7.976 1.00 0.00 H new ATOM 158 N ARG A 13 -8.799 6.539 -8.763 1.00 0.00 N ATOM 159 CA ARG A 13 -7.658 6.270 -9.630 1.00 0.00 C ATOM 160 C ARG A 13 -6.641 5.373 -8.928 1.00 0.00 C ATOM 161 O ARG A 13 -5.919 4.614 -9.575 1.00 0.00 O ATOM 162 CB ARG A 13 -6.991 7.580 -10.053 1.00 0.00 C ATOM 163 CG ARG A 13 -7.832 8.410 -11.009 1.00 0.00 C ATOM 164 CD ARG A 13 -6.972 9.369 -11.818 1.00 0.00 C ATOM 165 NE ARG A 13 -7.718 9.980 -12.915 1.00 0.00 N ATOM 166 CZ ARG A 13 -7.147 10.462 -14.013 1.00 0.00 C ATOM 167 NH1 ARG A 13 -5.831 10.403 -14.160 1.00 0.00 N ATOM 168 NH2 ARG A 13 -7.894 11.003 -14.967 1.00 0.00 N ATOM 0 H ARG A 13 -9.044 7.526 -8.682 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.023 5.753 -10.517 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.776 8.172 -9.164 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.035 7.355 -10.525 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.376 7.749 -11.684 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.576 8.973 -10.446 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.586 10.150 -11.163 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.111 8.834 -12.219 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.733 10.040 -12.833 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.254 9.987 -13.429 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.395 10.774 -15.004 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.907 11.049 -14.857 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.455 11.373 -15.810 1.00 0.00 H new ATOM 182 N ILE A 14 -6.592 5.467 -7.604 1.00 0.00 N ATOM 183 CA ILE A 14 -5.665 4.664 -6.816 1.00 0.00 C ATOM 184 C ILE A 14 -6.154 3.225 -6.690 1.00 0.00 C ATOM 185 O ILE A 14 -5.438 2.285 -7.033 1.00 0.00 O ATOM 186 CB ILE A 14 -5.469 5.253 -5.406 1.00 0.00 C ATOM 187 CG1 ILE A 14 -4.679 6.560 -5.481 1.00 0.00 C ATOM 188 CG2 ILE A 14 -4.761 4.250 -4.507 1.00 0.00 C ATOM 189 CD1 ILE A 14 -4.731 7.372 -4.206 1.00 0.00 C ATOM 0 H ILE A 14 -7.183 6.091 -7.054 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.711 4.676 -7.342 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.448 5.467 -4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.639 6.333 -5.716 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.067 7.163 -6.302 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.630 4.681 -3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.360 3.342 -4.433 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.786 4.008 -4.929 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.149 8.285 -4.332 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.766 7.630 -3.981 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.316 6.787 -3.385 1.00 0.00 H new ATOM 201 N GLU A 15 -7.378 3.062 -6.198 1.00 0.00 N ATOM 202 CA GLU A 15 -7.963 1.737 -6.029 1.00 0.00 C ATOM 203 C GLU A 15 -8.144 1.046 -7.378 1.00 0.00 C ATOM 204 O GLU A 15 -7.622 -0.045 -7.602 1.00 0.00 O ATOM 205 CB GLU A 15 -9.309 1.837 -5.310 1.00 0.00 C ATOM 206 CG GLU A 15 -9.189 1.887 -3.796 1.00 0.00 C ATOM 207 CD GLU A 15 -10.478 2.315 -3.122 1.00 0.00 C ATOM 208 OE1 GLU A 15 -11.026 3.370 -3.504 1.00 0.00 O ATOM 209 OE2 GLU A 15 -10.938 1.595 -2.211 1.00 0.00 O ATOM 0 H GLU A 15 -7.983 3.831 -5.910 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.280 1.141 -5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.830 2.731 -5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.925 0.982 -5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.899 0.904 -3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.393 2.579 -3.521 1.00 0.00 H new ATOM 216 N GLU A 16 -8.888 1.691 -8.271 1.00 0.00 N ATOM 217 CA GLU A 16 -9.140 1.137 -9.596 1.00 0.00 C ATOM 218 C GLU A 16 -7.909 0.403 -10.122 1.00 0.00 C ATOM 219 O GLU A 16 -8.023 -0.555 -10.886 1.00 0.00 O ATOM 220 CB GLU A 16 -9.538 2.249 -10.570 1.00 0.00 C ATOM 221 CG GLU A 16 -8.375 3.123 -11.005 1.00 0.00 C ATOM 222 CD GLU A 16 -8.705 3.975 -12.215 1.00 0.00 C ATOM 223 OE1 GLU A 16 -9.450 4.965 -12.057 1.00 0.00 O ATOM 224 OE2 GLU A 16 -8.221 3.651 -13.320 1.00 0.00 O ATOM 0 H GLU A 16 -9.326 2.596 -8.101 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.960 0.424 -9.514 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.995 1.801 -11.453 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.297 2.876 -10.102 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.083 3.771 -10.178 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.517 2.491 -11.233 1.00 0.00 H new ATOM 231 N LYS A 17 -6.733 0.860 -9.707 1.00 0.00 N ATOM 232 CA LYS A 17 -5.480 0.249 -10.134 1.00 0.00 C ATOM 233 C LYS A 17 -5.138 -0.956 -9.262 1.00 0.00 C ATOM 234 O LYS A 17 -4.962 -2.067 -9.763 1.00 0.00 O ATOM 235 CB LYS A 17 -4.343 1.272 -10.077 1.00 0.00 C ATOM 236 CG LYS A 17 -4.259 2.156 -11.309 1.00 0.00 C ATOM 237 CD LYS A 17 -2.864 2.732 -11.487 1.00 0.00 C ATOM 238 CE LYS A 17 -2.714 3.421 -12.835 1.00 0.00 C ATOM 239 NZ LYS A 17 -2.525 2.442 -13.941 1.00 0.00 N ATOM 0 H LYS A 17 -6.621 1.652 -9.075 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.603 -0.091 -11.162 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.475 1.901 -9.197 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.397 0.745 -9.953 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.530 1.578 -12.192 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.981 2.968 -11.225 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.659 3.444 -10.688 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.126 1.935 -11.401 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.598 4.027 -13.033 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.863 4.101 -12.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.410 2.952 -14.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.677 1.869 -13.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.356 1.820 -14.000 1.00 0.00 H new ATOM 253 N LEU A 18 -5.047 -0.728 -7.957 1.00 0.00 N ATOM 254 CA LEU A 18 -4.727 -1.796 -7.015 1.00 0.00 C ATOM 255 C LEU A 18 -5.576 -3.033 -7.286 1.00 0.00 C ATOM 256 O LEU A 18 -5.062 -4.150 -7.345 1.00 0.00 O ATOM 257 CB LEU A 18 -4.946 -1.317 -5.578 1.00 0.00 C ATOM 258 CG LEU A 18 -4.245 -0.015 -5.190 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.928 0.622 -3.990 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.774 -0.269 -4.896 1.00 0.00 C ATOM 0 H LEU A 18 -5.190 0.186 -7.527 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.678 -2.062 -7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.017 -1.191 -5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.612 -2.102 -4.900 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.313 0.676 -6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.415 1.548 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.967 0.840 -4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.892 -0.064 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.291 0.669 -4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.685 -0.978 -4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.291 -0.680 -5.783 1.00 0.00 H new ATOM 272 N ARG A 19 -6.879 -2.826 -7.451 1.00 0.00 N ATOM 273 CA ARG A 19 -7.799 -3.925 -7.717 1.00 0.00 C ATOM 274 C ARG A 19 -7.158 -4.961 -8.636 1.00 0.00 C ATOM 275 O ARG A 19 -7.101 -6.146 -8.307 1.00 0.00 O ATOM 276 CB ARG A 19 -9.088 -3.397 -8.349 1.00 0.00 C ATOM 277 CG ARG A 19 -10.027 -2.734 -7.354 1.00 0.00 C ATOM 278 CD ARG A 19 -11.422 -2.561 -7.934 1.00 0.00 C ATOM 279 NE ARG A 19 -12.225 -3.773 -7.798 1.00 0.00 N ATOM 280 CZ ARG A 19 -13.550 -3.791 -7.891 1.00 0.00 C ATOM 281 NH1 ARG A 19 -14.217 -2.668 -8.119 1.00 0.00 N ATOM 282 NH2 ARG A 19 -14.211 -4.934 -7.756 1.00 0.00 N ATOM 0 H ARG A 19 -7.321 -1.908 -7.405 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.037 -4.404 -6.767 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.833 -2.679 -9.129 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.610 -4.222 -8.834 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.081 -3.336 -6.447 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.628 -1.761 -7.068 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.924 -1.735 -7.430 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.346 -2.293 -8.988 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.742 -4.654 -7.622 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.713 -1.788 -8.223 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.234 -2.685 -8.190 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.702 -5.800 -7.581 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.228 -4.946 -7.828 1.00 0.00 H new ATOM 296 N ALA A 20 -6.676 -4.506 -9.788 1.00 0.00 N ATOM 297 CA ALA A 20 -6.038 -5.393 -10.752 1.00 0.00 C ATOM 298 C ALA A 20 -4.536 -5.483 -10.505 1.00 0.00 C ATOM 299 O ALA A 20 -3.876 -6.414 -10.966 1.00 0.00 O ATOM 300 CB ALA A 20 -6.313 -4.916 -12.171 1.00 0.00 C ATOM 0 H ALA A 20 -6.715 -3.528 -10.076 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.461 -6.390 -10.626 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.830 -5.588 -12.881 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.388 -4.910 -12.351 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.918 -3.908 -12.299 1.00 0.00 H new ATOM 306 N ALA A 21 -4.001 -4.510 -9.775 1.00 0.00 N ATOM 307 CA ALA A 21 -2.577 -4.481 -9.465 1.00 0.00 C ATOM 308 C ALA A 21 -2.162 -5.716 -8.673 1.00 0.00 C ATOM 309 O ALA A 21 -1.185 -6.384 -9.012 1.00 0.00 O ATOM 310 CB ALA A 21 -2.231 -3.216 -8.694 1.00 0.00 C ATOM 0 H ALA A 21 -4.533 -3.731 -9.387 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.025 -4.483 -10.405 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.165 -3.207 -8.469 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.482 -2.343 -9.296 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.798 -3.190 -7.764 1.00 0.00 H new ATOM 316 N PHE A 22 -2.910 -6.013 -7.616 1.00 0.00 N ATOM 317 CA PHE A 22 -2.619 -7.168 -6.774 1.00 0.00 C ATOM 318 C PHE A 22 -3.851 -8.054 -6.620 1.00 0.00 C ATOM 319 O PHE A 22 -3.746 -9.280 -6.585 1.00 0.00 O ATOM 320 CB PHE A 22 -2.129 -6.712 -5.397 1.00 0.00 C ATOM 321 CG PHE A 22 -0.858 -5.914 -5.448 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.369 -6.547 -5.558 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.890 -4.530 -5.383 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.541 -5.816 -5.605 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.279 -3.794 -5.430 1.00 0.00 C ATOM 326 CZ PHE A 22 1.496 -4.437 -5.540 1.00 0.00 C ATOM 0 H PHE A 22 -3.722 -5.470 -7.322 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.834 -7.749 -7.257 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.906 -6.112 -4.924 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.974 -7.588 -4.767 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.410 -7.625 -5.608 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.838 -4.021 -5.295 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.491 -6.322 -5.692 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.241 -2.716 -5.381 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.410 -3.863 -5.575 1.00 0.00 H new ATOM 336 N GLN A 23 -5.018 -7.424 -6.527 1.00 0.00 N ATOM 337 CA GLN A 23 -6.270 -8.154 -6.375 1.00 0.00 C ATOM 338 C GLN A 23 -6.393 -8.739 -4.972 1.00 0.00 C ATOM 339 O GLN A 23 -6.609 -9.937 -4.789 1.00 0.00 O ATOM 340 CB GLN A 23 -6.363 -9.272 -7.416 1.00 0.00 C ATOM 341 CG GLN A 23 -5.872 -8.861 -8.795 1.00 0.00 C ATOM 342 CD GLN A 23 -5.864 -10.014 -9.779 1.00 0.00 C ATOM 343 OE1 GLN A 23 -6.727 -10.891 -9.732 1.00 0.00 O ATOM 344 NE2 GLN A 23 -4.887 -10.019 -10.678 1.00 0.00 N ATOM 0 H GLN A 23 -5.122 -6.410 -6.554 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.090 -7.453 -6.530 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.781 -10.127 -7.072 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.399 -9.602 -7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.508 -8.064 -9.180 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.865 -8.453 -8.711 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.193 -9.272 -10.681 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.831 -10.770 -11.366 1.00 0.00 H new ATOM 353 N PRO A 24 -6.252 -7.875 -3.956 1.00 0.00 N ATOM 354 CA PRO A 24 -6.343 -8.283 -2.551 1.00 0.00 C ATOM 355 C PRO A 24 -7.763 -8.673 -2.152 1.00 0.00 C ATOM 356 O PRO A 24 -8.615 -8.912 -3.007 1.00 0.00 O ATOM 357 CB PRO A 24 -5.898 -7.033 -1.789 1.00 0.00 C ATOM 358 CG PRO A 24 -6.199 -5.901 -2.709 1.00 0.00 C ATOM 359 CD PRO A 24 -5.994 -6.433 -4.100 1.00 0.00 C ATOM 0 HA PRO A 24 -5.737 -9.164 -2.342 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.436 -6.931 -0.847 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.836 -7.074 -1.546 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.221 -5.548 -2.573 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.541 -5.054 -2.514 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.679 -5.972 -4.812 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.983 -6.240 -4.459 1.00 0.00 H new ATOM 367 N VAL A 25 -8.009 -8.735 -0.847 1.00 0.00 N ATOM 368 CA VAL A 25 -9.326 -9.095 -0.334 1.00 0.00 C ATOM 369 C VAL A 25 -10.076 -7.865 0.164 1.00 0.00 C ATOM 370 O VAL A 25 -11.269 -7.705 -0.094 1.00 0.00 O ATOM 371 CB VAL A 25 -9.222 -10.119 0.812 1.00 0.00 C ATOM 372 CG1 VAL A 25 -8.532 -11.387 0.334 1.00 0.00 C ATOM 373 CG2 VAL A 25 -8.486 -9.516 1.999 1.00 0.00 C ATOM 0 H VAL A 25 -7.314 -8.541 -0.126 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.877 -9.543 -1.161 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.230 -10.382 1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.468 -12.099 1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.105 -11.827 -0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.528 -11.145 -0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.421 -10.253 2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.481 -9.223 1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.027 -8.639 2.355 1.00 0.00 H new ATOM 383 N PHE A 26 -9.369 -6.997 0.880 1.00 0.00 N ATOM 384 CA PHE A 26 -9.967 -5.780 1.417 1.00 0.00 C ATOM 385 C PHE A 26 -9.479 -4.552 0.654 1.00 0.00 C ATOM 386 O PHE A 26 -8.393 -4.559 0.073 1.00 0.00 O ATOM 387 CB PHE A 26 -9.636 -5.636 2.903 1.00 0.00 C ATOM 388 CG PHE A 26 -10.443 -4.575 3.597 1.00 0.00 C ATOM 389 CD1 PHE A 26 -11.775 -4.793 3.909 1.00 0.00 C ATOM 390 CD2 PHE A 26 -9.868 -3.361 3.936 1.00 0.00 C ATOM 391 CE1 PHE A 26 -12.520 -3.819 4.548 1.00 0.00 C ATOM 392 CE2 PHE A 26 -10.608 -2.384 4.575 1.00 0.00 C ATOM 393 CZ PHE A 26 -11.935 -2.612 4.880 1.00 0.00 C ATOM 0 H PHE A 26 -8.380 -7.114 1.102 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.048 -5.854 1.299 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.805 -6.592 3.399 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.576 -5.404 3.010 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -12.237 -5.734 3.650 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.831 -3.176 3.699 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.557 -4.001 4.787 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.148 -1.442 4.836 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.515 -1.848 5.377 1.00 0.00 H new ATOM 403 N LEU A 27 -10.289 -3.500 0.659 1.00 0.00 N ATOM 404 CA LEU A 27 -9.942 -2.263 -0.032 1.00 0.00 C ATOM 405 C LEU A 27 -10.762 -1.092 0.500 1.00 0.00 C ATOM 406 O LEU A 27 -11.970 -1.212 0.706 1.00 0.00 O ATOM 407 CB LEU A 27 -10.167 -2.417 -1.537 1.00 0.00 C ATOM 408 CG LEU A 27 -9.253 -1.589 -2.441 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.817 -2.077 -2.338 1.00 0.00 C ATOM 410 CD2 LEU A 27 -9.735 -1.645 -3.883 1.00 0.00 C ATOM 0 H LEU A 27 -11.191 -3.478 1.134 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.888 -2.056 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.045 -3.469 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.201 -2.152 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.288 -0.552 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.181 -1.476 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.474 -1.984 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.765 -3.122 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.072 -1.050 -4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.731 -2.679 -4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.748 -1.246 -3.944 1.00 0.00 H new ATOM 422 N GLU A 28 -10.098 0.038 0.718 1.00 0.00 N ATOM 423 CA GLU A 28 -10.767 1.231 1.224 1.00 0.00 C ATOM 424 C GLU A 28 -9.821 2.428 1.222 1.00 0.00 C ATOM 425 O GLU A 28 -8.637 2.299 1.531 1.00 0.00 O ATOM 426 CB GLU A 28 -11.293 0.985 2.640 1.00 0.00 C ATOM 427 CG GLU A 28 -12.490 1.848 3.004 1.00 0.00 C ATOM 428 CD GLU A 28 -13.632 1.706 2.017 1.00 0.00 C ATOM 429 OE1 GLU A 28 -13.850 0.581 1.521 1.00 0.00 O ATOM 430 OE2 GLU A 28 -14.309 2.719 1.742 1.00 0.00 O ATOM 0 H GLU A 28 -9.098 0.153 0.552 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.606 1.453 0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.569 -0.065 2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.491 1.172 3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.840 1.577 4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.181 2.892 3.048 1.00 0.00 H new ATOM 437 N VAL A 29 -10.353 3.594 0.869 1.00 0.00 N ATOM 438 CA VAL A 29 -9.558 4.816 0.826 1.00 0.00 C ATOM 439 C VAL A 29 -10.241 5.943 1.592 1.00 0.00 C ATOM 440 O VAL A 29 -11.466 6.066 1.577 1.00 0.00 O ATOM 441 CB VAL A 29 -9.308 5.272 -0.623 1.00 0.00 C ATOM 442 CG1 VAL A 29 -8.441 6.522 -0.648 1.00 0.00 C ATOM 443 CG2 VAL A 29 -8.667 4.153 -1.430 1.00 0.00 C ATOM 0 H VAL A 29 -11.331 3.718 0.609 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.602 4.588 1.297 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.267 5.515 -1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.275 6.829 -1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.943 7.324 -0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.483 6.310 -0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.497 4.492 -2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.715 3.877 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.329 3.287 -1.441 1.00 0.00 H new ATOM 453 N VAL A 30 -9.440 6.767 2.261 1.00 0.00 N ATOM 454 CA VAL A 30 -9.966 7.887 3.032 1.00 0.00 C ATOM 455 C VAL A 30 -9.515 9.219 2.444 1.00 0.00 C ATOM 456 O VAL A 30 -8.342 9.582 2.532 1.00 0.00 O ATOM 457 CB VAL A 30 -9.523 7.812 4.505 1.00 0.00 C ATOM 458 CG1 VAL A 30 -10.074 8.993 5.289 1.00 0.00 C ATOM 459 CG2 VAL A 30 -9.965 6.496 5.127 1.00 0.00 C ATOM 0 H VAL A 30 -8.424 6.680 2.284 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.053 7.821 2.984 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.435 7.858 4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.751 8.923 6.328 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.704 9.922 4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.163 8.982 5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.644 6.460 6.168 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.051 6.418 5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.517 5.666 4.580 1.00 0.00 H new ATOM 469 N ASP A 31 -10.453 9.943 1.845 1.00 0.00 N ATOM 470 CA ASP A 31 -10.153 11.237 1.243 1.00 0.00 C ATOM 471 C ASP A 31 -10.703 12.375 2.098 1.00 0.00 C ATOM 472 O ASP A 31 -11.787 12.265 2.670 1.00 0.00 O ATOM 473 CB ASP A 31 -10.737 11.315 -0.168 1.00 0.00 C ATOM 474 CG ASP A 31 -10.472 12.653 -0.831 1.00 0.00 C ATOM 475 OD1 ASP A 31 -9.452 13.290 -0.496 1.00 0.00 O ATOM 476 OD2 ASP A 31 -11.285 13.062 -1.686 1.00 0.00 O ATOM 0 H ASP A 31 -11.428 9.656 1.763 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.069 11.340 1.186 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.311 10.519 -0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.812 11.142 -0.123 1.00 0.00 H new ATOM 481 N GLU A 32 -9.946 13.465 2.181 1.00 0.00 N ATOM 482 CA GLU A 32 -10.358 14.621 2.968 1.00 0.00 C ATOM 483 C GLU A 32 -11.139 15.613 2.111 1.00 0.00 C ATOM 484 O GLU A 32 -10.559 16.501 1.486 1.00 0.00 O ATOM 485 CB GLU A 32 -9.137 15.311 3.580 1.00 0.00 C ATOM 486 CG GLU A 32 -8.025 15.579 2.581 1.00 0.00 C ATOM 487 CD GLU A 32 -7.128 16.727 3.000 1.00 0.00 C ATOM 488 OE1 GLU A 32 -7.535 17.506 3.887 1.00 0.00 O ATOM 489 OE2 GLU A 32 -6.017 16.847 2.441 1.00 0.00 O ATOM 0 H GLU A 32 -9.046 13.571 1.714 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.008 14.269 3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.449 16.256 4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.747 14.691 4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.424 14.678 2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.462 15.801 1.608 1.00 0.00 H new ATOM 686 N PHE A 46 -4.067 11.904 3.287 1.00 0.00 N ATOM 687 CA PHE A 46 -4.563 10.822 2.445 1.00 0.00 C ATOM 688 C PHE A 46 -4.163 9.464 3.013 1.00 0.00 C ATOM 689 O PHE A 46 -2.982 9.193 3.235 1.00 0.00 O ATOM 690 CB PHE A 46 -4.025 10.970 1.020 1.00 0.00 C ATOM 691 CG PHE A 46 -4.954 10.431 -0.030 1.00 0.00 C ATOM 692 CD1 PHE A 46 -4.968 9.080 -0.335 1.00 0.00 C ATOM 693 CD2 PHE A 46 -5.814 11.277 -0.713 1.00 0.00 C ATOM 694 CE1 PHE A 46 -5.822 8.581 -1.301 1.00 0.00 C ATOM 695 CE2 PHE A 46 -6.670 10.784 -1.679 1.00 0.00 C ATOM 696 CZ PHE A 46 -6.673 9.435 -1.974 1.00 0.00 C ATOM 0 HA PHE A 46 -5.651 10.881 2.424 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.835 12.024 0.819 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.068 10.454 0.946 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.304 8.408 0.188 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.815 12.333 -0.487 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.823 7.525 -1.529 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.336 11.453 -2.203 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.340 9.048 -2.730 1.00 0.00 H new ATOM 706 N LYS A 47 -5.155 8.612 3.247 1.00 0.00 N ATOM 707 CA LYS A 47 -4.910 7.280 3.789 1.00 0.00 C ATOM 708 C LYS A 47 -5.441 6.204 2.848 1.00 0.00 C ATOM 709 O LYS A 47 -6.350 6.451 2.056 1.00 0.00 O ATOM 710 CB LYS A 47 -5.564 7.139 5.165 1.00 0.00 C ATOM 711 CG LYS A 47 -5.197 5.852 5.884 1.00 0.00 C ATOM 712 CD LYS A 47 -6.180 5.535 6.998 1.00 0.00 C ATOM 713 CE LYS A 47 -7.336 4.683 6.495 1.00 0.00 C ATOM 714 NZ LYS A 47 -8.344 4.432 7.562 1.00 0.00 N ATOM 0 H LYS A 47 -6.138 8.820 3.070 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.833 7.148 3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.273 7.987 5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.647 7.185 5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.177 5.029 5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.192 5.939 6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.664 5.011 7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.567 6.463 7.419 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.815 5.182 5.653 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.953 3.732 6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.116 3.848 7.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.893 3.934 8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.729 5.339 7.896 1.00 0.00 H new ATOM 728 N VAL A 48 -4.870 5.007 2.942 1.00 0.00 N ATOM 729 CA VAL A 48 -5.288 3.892 2.101 1.00 0.00 C ATOM 730 C VAL A 48 -5.131 2.564 2.833 1.00 0.00 C ATOM 731 O VAL A 48 -4.106 2.307 3.463 1.00 0.00 O ATOM 732 CB VAL A 48 -4.479 3.843 0.791 1.00 0.00 C ATOM 733 CG1 VAL A 48 -4.764 2.553 0.036 1.00 0.00 C ATOM 734 CG2 VAL A 48 -4.789 5.056 -0.072 1.00 0.00 C ATOM 0 H VAL A 48 -4.116 4.785 3.593 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.340 4.051 1.863 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.418 3.864 1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.184 2.536 -0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.486 1.700 0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.826 2.498 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.209 5.005 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.852 5.069 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.529 5.965 0.471 1.00 0.00 H new ATOM 744 N VAL A 49 -6.156 1.721 2.744 1.00 0.00 N ATOM 745 CA VAL A 49 -6.132 0.417 3.396 1.00 0.00 C ATOM 746 C VAL A 49 -6.231 -0.710 2.374 1.00 0.00 C ATOM 747 O VAL A 49 -7.084 -0.685 1.486 1.00 0.00 O ATOM 748 CB VAL A 49 -7.281 0.277 4.412 1.00 0.00 C ATOM 749 CG1 VAL A 49 -7.190 -1.055 5.141 1.00 0.00 C ATOM 750 CG2 VAL A 49 -7.266 1.436 5.396 1.00 0.00 C ATOM 0 H VAL A 49 -7.013 1.918 2.227 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.180 0.343 3.922 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.227 0.303 3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.010 -1.136 5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.255 -1.870 4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.240 -1.115 5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.085 1.321 6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.318 1.445 5.933 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.385 2.375 4.855 1.00 0.00 H new ATOM 760 N LEU A 50 -5.354 -1.699 2.506 1.00 0.00 N ATOM 761 CA LEU A 50 -5.342 -2.837 1.594 1.00 0.00 C ATOM 762 C LEU A 50 -4.809 -4.086 2.289 1.00 0.00 C ATOM 763 O LEU A 50 -3.609 -4.206 2.539 1.00 0.00 O ATOM 764 CB LEU A 50 -4.489 -2.522 0.364 1.00 0.00 C ATOM 765 CG LEU A 50 -4.405 -3.622 -0.695 1.00 0.00 C ATOM 766 CD1 LEU A 50 -4.110 -3.026 -2.062 1.00 0.00 C ATOM 767 CD2 LEU A 50 -3.344 -4.646 -0.316 1.00 0.00 C ATOM 0 H LEU A 50 -4.642 -1.736 3.236 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.368 -3.028 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.885 -1.622 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.478 -2.289 0.698 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.369 -4.128 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.054 -3.824 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.905 -2.332 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.159 -2.494 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.297 -5.422 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.374 -4.154 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.599 -5.097 0.643 1.00 0.00 H new ATOM 779 N VAL A 51 -5.708 -5.015 2.598 1.00 0.00 N ATOM 780 CA VAL A 51 -5.328 -6.256 3.262 1.00 0.00 C ATOM 781 C VAL A 51 -4.881 -7.305 2.250 1.00 0.00 C ATOM 782 O VAL A 51 -5.620 -7.647 1.327 1.00 0.00 O ATOM 783 CB VAL A 51 -6.492 -6.826 4.095 1.00 0.00 C ATOM 784 CG1 VAL A 51 -6.144 -8.211 4.620 1.00 0.00 C ATOM 785 CG2 VAL A 51 -6.838 -5.884 5.239 1.00 0.00 C ATOM 0 H VAL A 51 -6.705 -4.932 2.399 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.497 -6.018 3.927 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.367 -6.917 3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.978 -8.598 5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.949 -8.879 3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.256 -8.149 5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.662 -6.301 5.817 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.968 -5.760 5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.132 -4.915 4.836 1.00 0.00 H new ATOM 795 N SER A 52 -3.666 -7.813 2.430 1.00 0.00 N ATOM 796 CA SER A 52 -3.118 -8.822 1.531 1.00 0.00 C ATOM 797 C SER A 52 -1.860 -9.451 2.123 1.00 0.00 C ATOM 798 O SER A 52 -0.976 -8.751 2.617 1.00 0.00 O ATOM 799 CB SER A 52 -2.800 -8.202 0.169 1.00 0.00 C ATOM 800 OG SER A 52 -2.761 -9.191 -0.845 1.00 0.00 O ATOM 0 H SER A 52 -3.042 -7.542 3.190 1.00 0.00 H new ATOM 0 HA SER A 52 -3.867 -9.603 1.401 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.553 -7.453 -0.078 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.841 -7.686 0.216 1.00 0.00 H new ATOM 0 HG SER A 52 -2.558 -8.769 -1.706 1.00 0.00 H new ATOM 806 N ASP A 53 -1.787 -10.776 2.068 1.00 0.00 N ATOM 807 CA ASP A 53 -0.638 -11.501 2.597 1.00 0.00 C ATOM 808 C ASP A 53 0.665 -10.932 2.044 1.00 0.00 C ATOM 809 O ASP A 53 1.700 -10.964 2.710 1.00 0.00 O ATOM 810 CB ASP A 53 -0.745 -12.988 2.255 1.00 0.00 C ATOM 811 CG ASP A 53 -0.169 -13.312 0.890 1.00 0.00 C ATOM 812 OD1 ASP A 53 -0.883 -13.118 -0.115 1.00 0.00 O ATOM 813 OD2 ASP A 53 0.996 -13.759 0.828 1.00 0.00 O ATOM 0 H ASP A 53 -2.510 -11.370 1.662 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.634 -11.385 3.681 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.223 -13.571 3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.792 -13.290 2.285 1.00 0.00 H new ATOM 818 N ARG A 54 0.607 -10.413 0.822 1.00 0.00 N ATOM 819 CA ARG A 54 1.782 -9.839 0.179 1.00 0.00 C ATOM 820 C ARG A 54 2.508 -8.885 1.124 1.00 0.00 C ATOM 821 O ARG A 54 3.685 -8.579 0.931 1.00 0.00 O ATOM 822 CB ARG A 54 1.381 -9.100 -1.099 1.00 0.00 C ATOM 823 CG ARG A 54 0.746 -9.999 -2.148 1.00 0.00 C ATOM 824 CD ARG A 54 1.798 -10.733 -2.964 1.00 0.00 C ATOM 825 NE ARG A 54 2.472 -9.849 -3.911 1.00 0.00 N ATOM 826 CZ ARG A 54 3.157 -10.284 -4.963 1.00 0.00 C ATOM 827 NH1 ARG A 54 3.258 -11.585 -5.200 1.00 0.00 N ATOM 828 NH2 ARG A 54 3.742 -9.418 -5.779 1.00 0.00 N ATOM 0 H ARG A 54 -0.242 -10.378 0.257 1.00 0.00 H new ATOM 0 HA ARG A 54 2.459 -10.654 -0.078 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.682 -8.303 -0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.264 -8.625 -1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.092 -10.722 -1.661 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.122 -9.401 -2.812 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.535 -11.174 -2.293 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.329 -11.554 -3.506 1.00 0.00 H new ATOM 0 HE ARG A 54 2.414 -8.842 -3.756 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.809 -12.254 -4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.784 -11.917 -6.008 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.666 -8.417 -5.599 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.268 -9.753 -6.586 1.00 0.00 H new ATOM 842 N PHE A 55 1.797 -8.418 2.145 1.00 0.00 N ATOM 843 CA PHE A 55 2.372 -7.497 3.119 1.00 0.00 C ATOM 844 C PHE A 55 3.148 -8.256 4.192 1.00 0.00 C ATOM 845 O PHE A 55 3.122 -7.892 5.368 1.00 0.00 O ATOM 846 CB PHE A 55 1.272 -6.656 3.769 1.00 0.00 C ATOM 847 CG PHE A 55 0.974 -5.384 3.028 1.00 0.00 C ATOM 848 CD1 PHE A 55 1.995 -4.516 2.675 1.00 0.00 C ATOM 849 CD2 PHE A 55 -0.328 -5.055 2.684 1.00 0.00 C ATOM 850 CE1 PHE A 55 1.725 -3.345 1.993 1.00 0.00 C ATOM 851 CE2 PHE A 55 -0.604 -3.885 2.002 1.00 0.00 C ATOM 852 CZ PHE A 55 0.423 -3.029 1.657 1.00 0.00 C ATOM 0 H PHE A 55 0.822 -8.662 2.319 1.00 0.00 H new ATOM 0 HA PHE A 55 3.062 -6.837 2.594 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.361 -7.251 3.834 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.567 -6.412 4.790 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.015 -4.758 2.936 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.136 -5.720 2.952 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.530 -2.678 1.723 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.623 -3.640 1.739 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.209 -2.114 1.125 1.00 0.00 H new ATOM 961 N ASN A 62 10.430 -2.150 0.975 1.00 0.00 N ATOM 962 CA ASN A 62 9.528 -2.945 0.150 1.00 0.00 C ATOM 963 C ASN A 62 8.071 -2.624 0.472 1.00 0.00 C ATOM 964 O ASN A 62 7.267 -2.372 -0.425 1.00 0.00 O ATOM 965 CB ASN A 62 9.792 -4.437 0.361 1.00 0.00 C ATOM 966 CG ASN A 62 8.720 -5.308 -0.266 1.00 0.00 C ATOM 967 OD1 ASN A 62 8.019 -4.884 -1.184 1.00 0.00 O ATOM 968 ND2 ASN A 62 8.589 -6.533 0.231 1.00 0.00 N ATOM 0 HA ASN A 62 9.715 -2.694 -0.894 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.761 -4.695 -0.065 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.847 -4.646 1.429 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.884 -7.165 -0.149 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.193 -6.842 0.993 1.00 0.00 H new ATOM 975 N ARG A 63 7.739 -2.636 1.759 1.00 0.00 N ATOM 976 CA ARG A 63 6.380 -2.348 2.200 1.00 0.00 C ATOM 977 C ARG A 63 5.730 -1.296 1.305 1.00 0.00 C ATOM 978 O ARG A 63 4.662 -1.525 0.736 1.00 0.00 O ATOM 979 CB ARG A 63 6.384 -1.866 3.652 1.00 0.00 C ATOM 980 CG ARG A 63 4.995 -1.747 4.258 1.00 0.00 C ATOM 981 CD ARG A 63 5.018 -0.950 5.552 1.00 0.00 C ATOM 982 NE ARG A 63 5.277 -1.797 6.713 1.00 0.00 N ATOM 983 CZ ARG A 63 5.066 -1.411 7.967 1.00 0.00 C ATOM 984 NH1 ARG A 63 4.595 -0.198 8.220 1.00 0.00 N ATOM 985 NH2 ARG A 63 5.325 -2.240 8.970 1.00 0.00 N ATOM 0 H ARG A 63 8.393 -2.842 2.514 1.00 0.00 H new ATOM 0 HA ARG A 63 5.799 -3.268 2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.976 -2.556 4.253 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.878 -0.895 3.702 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.326 -1.266 3.545 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.594 -2.742 4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.785 -0.178 5.488 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.063 -0.441 5.681 1.00 0.00 H new ATOM 0 HE ARG A 63 5.640 -2.737 6.553 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.394 0.441 7.451 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.434 0.096 9.183 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.686 -3.174 8.779 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.163 -1.943 9.932 1.00 0.00 H new ATOM 999 N HIS A 64 6.381 -0.143 1.187 1.00 0.00 N ATOM 1000 CA HIS A 64 5.866 0.944 0.362 1.00 0.00 C ATOM 1001 C HIS A 64 6.100 0.660 -1.119 1.00 0.00 C ATOM 1002 O HIS A 64 5.199 0.821 -1.942 1.00 0.00 O ATOM 1003 CB HIS A 64 6.528 2.265 0.751 1.00 0.00 C ATOM 1004 CG HIS A 64 5.873 2.945 1.914 1.00 0.00 C ATOM 1005 ND1 HIS A 64 5.529 4.280 1.909 1.00 0.00 N ATOM 1006 CD2 HIS A 64 5.497 2.465 3.122 1.00 0.00 C ATOM 1007 CE1 HIS A 64 4.971 4.593 3.065 1.00 0.00 C ATOM 1008 NE2 HIS A 64 4.940 3.509 3.819 1.00 0.00 N ATOM 0 H HIS A 64 7.265 0.063 1.652 1.00 0.00 H new ATOM 0 HA HIS A 64 4.792 1.020 0.534 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.575 2.080 0.992 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.512 2.936 -0.108 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.681 4.925 1.134 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.613 1.450 3.473 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.603 5.569 3.346 1.00 0.00 H new ATOM 1017 N ARG A 65 7.316 0.237 -1.450 1.00 0.00 N ATOM 1018 CA ARG A 65 7.669 -0.067 -2.831 1.00 0.00 C ATOM 1019 C ARG A 65 6.485 -0.679 -3.573 1.00 0.00 C ATOM 1020 O ARG A 65 5.883 -0.040 -4.435 1.00 0.00 O ATOM 1021 CB ARG A 65 8.862 -1.024 -2.876 1.00 0.00 C ATOM 1022 CG ARG A 65 10.099 -0.489 -2.173 1.00 0.00 C ATOM 1023 CD ARG A 65 11.335 -1.301 -2.526 1.00 0.00 C ATOM 1024 NE ARG A 65 11.620 -1.271 -3.958 1.00 0.00 N ATOM 1025 CZ ARG A 65 11.116 -2.143 -4.825 1.00 0.00 C ATOM 1026 NH1 ARG A 65 10.307 -3.107 -4.408 1.00 0.00 N ATOM 1027 NH2 ARG A 65 11.422 -2.050 -6.113 1.00 0.00 N ATOM 0 H ARG A 65 8.073 0.097 -0.781 1.00 0.00 H new ATOM 0 HA ARG A 65 7.941 0.866 -3.324 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.575 -1.971 -2.418 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.109 -1.235 -3.917 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.255 0.553 -2.452 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.944 -0.511 -1.094 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.193 -0.912 -1.978 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.194 -2.333 -2.206 1.00 0.00 H new ATOM 0 HE ARG A 65 12.239 -0.542 -4.312 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.069 -3.181 -3.419 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.922 -3.774 -5.076 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.044 -1.309 -6.437 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.035 -2.719 -6.779 1.00 0.00 H new ATOM 1041 N MET A 66 6.157 -1.921 -3.232 1.00 0.00 N ATOM 1042 CA MET A 66 5.044 -2.619 -3.866 1.00 0.00 C ATOM 1043 C MET A 66 3.907 -1.653 -4.182 1.00 0.00 C ATOM 1044 O MET A 66 3.399 -1.624 -5.304 1.00 0.00 O ATOM 1045 CB MET A 66 4.537 -3.743 -2.960 1.00 0.00 C ATOM 1046 CG MET A 66 4.746 -3.471 -1.479 1.00 0.00 C ATOM 1047 SD MET A 66 3.581 -4.370 -0.437 1.00 0.00 S ATOM 1048 CE MET A 66 4.684 -5.506 0.401 1.00 0.00 C ATOM 0 H MET A 66 6.646 -2.465 -2.521 1.00 0.00 H new ATOM 0 HA MET A 66 5.402 -3.050 -4.801 1.00 0.00 H new ATOM 0 HB2 MET A 66 3.474 -3.897 -3.146 1.00 0.00 H new ATOM 0 HB3 MET A 66 5.045 -4.670 -3.226 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.763 -3.748 -1.203 1.00 0.00 H new ATOM 0 HG3 MET A 66 4.645 -2.402 -1.292 1.00 0.00 H new ATOM 0 HE1 MET A 66 4.454 -5.517 1.466 1.00 0.00 H new ATOM 0 HE2 MET A 66 4.554 -6.508 -0.008 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.716 -5.185 0.256 1.00 0.00 H new ATOM 1058 N ILE A 67 3.511 -0.865 -3.188 1.00 0.00 N ATOM 1059 CA ILE A 67 2.435 0.102 -3.363 1.00 0.00 C ATOM 1060 C ILE A 67 2.874 1.260 -4.251 1.00 0.00 C ATOM 1061 O ILE A 67 2.429 1.385 -5.393 1.00 0.00 O ATOM 1062 CB ILE A 67 1.955 0.661 -2.010 1.00 0.00 C ATOM 1063 CG1 ILE A 67 1.499 -0.478 -1.095 1.00 0.00 C ATOM 1064 CG2 ILE A 67 0.830 1.663 -2.219 1.00 0.00 C ATOM 1065 CD1 ILE A 67 0.352 -1.285 -1.662 1.00 0.00 C ATOM 0 H ILE A 67 3.919 -0.877 -2.253 1.00 0.00 H new ATOM 0 HA ILE A 67 1.611 -0.427 -3.842 1.00 0.00 H new ATOM 0 HB ILE A 67 2.788 1.175 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.342 -1.142 -0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.200 -0.063 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.502 2.049 -1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.187 2.487 -2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.006 1.172 -2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.081 -2.075 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.507 -0.633 -1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.654 -1.730 -2.610 1.00 0.00 H new ATOM 1077 N TYR A 68 3.752 2.105 -3.722 1.00 0.00 N ATOM 1078 CA TYR A 68 4.253 3.254 -4.467 1.00 0.00 C ATOM 1079 C TYR A 68 4.479 2.896 -5.933 1.00 0.00 C ATOM 1080 O TYR A 68 3.886 3.498 -6.828 1.00 0.00 O ATOM 1081 CB TYR A 68 5.556 3.761 -3.847 1.00 0.00 C ATOM 1082 CG TYR A 68 5.347 4.724 -2.700 1.00 0.00 C ATOM 1083 CD1 TYR A 68 4.298 4.553 -1.806 1.00 0.00 C ATOM 1084 CD2 TYR A 68 6.199 5.805 -2.511 1.00 0.00 C ATOM 1085 CE1 TYR A 68 4.102 5.430 -0.757 1.00 0.00 C ATOM 1086 CE2 TYR A 68 6.013 6.687 -1.464 1.00 0.00 C ATOM 1087 CZ TYR A 68 4.962 6.496 -0.590 1.00 0.00 C ATOM 1088 OH TYR A 68 4.772 7.371 0.454 1.00 0.00 O ATOM 0 H TYR A 68 4.132 2.016 -2.780 1.00 0.00 H new ATOM 0 HA TYR A 68 3.503 4.043 -4.416 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.136 2.909 -3.493 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.149 4.252 -4.619 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.623 3.719 -1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.021 5.959 -3.194 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.281 5.282 -0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.686 7.521 -1.330 1.00 0.00 H new ATOM 0 HH TYR A 68 5.464 8.064 0.430 1.00 0.00 H new ATOM 1098 N SER A 69 5.340 1.912 -6.169 1.00 0.00 N ATOM 1099 CA SER A 69 5.648 1.475 -7.526 1.00 0.00 C ATOM 1100 C SER A 69 4.413 1.559 -8.417 1.00 0.00 C ATOM 1101 O SER A 69 4.477 2.055 -9.543 1.00 0.00 O ATOM 1102 CB SER A 69 6.186 0.043 -7.513 1.00 0.00 C ATOM 1103 OG SER A 69 6.894 -0.246 -8.706 1.00 0.00 O ATOM 0 H SER A 69 5.837 1.402 -5.439 1.00 0.00 H new ATOM 0 HA SER A 69 6.412 2.139 -7.931 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.843 -0.094 -6.654 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.360 -0.658 -7.398 1.00 0.00 H new ATOM 0 HG SER A 69 7.229 -1.166 -8.673 1.00 0.00 H new ATOM 1109 N THR A 70 3.287 1.071 -7.905 1.00 0.00 N ATOM 1110 CA THR A 70 2.037 1.088 -8.653 1.00 0.00 C ATOM 1111 C THR A 70 1.570 2.516 -8.911 1.00 0.00 C ATOM 1112 O THR A 70 1.247 2.881 -10.042 1.00 0.00 O ATOM 1113 CB THR A 70 0.926 0.324 -7.909 1.00 0.00 C ATOM 1114 OG1 THR A 70 1.411 -0.956 -7.487 1.00 0.00 O ATOM 1115 CG2 THR A 70 -0.294 0.141 -8.799 1.00 0.00 C ATOM 0 H THR A 70 3.216 0.659 -6.975 1.00 0.00 H new ATOM 0 HA THR A 70 2.232 0.594 -9.605 1.00 0.00 H new ATOM 0 HB THR A 70 0.635 0.908 -7.036 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.967 -0.848 -6.687 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.065 -0.401 -8.252 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.678 1.117 -9.096 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.014 -0.424 -9.688 1.00 0.00 H new ATOM 1123 N LEU A 71 1.537 3.322 -7.855 1.00 0.00 N ATOM 1124 CA LEU A 71 1.111 4.713 -7.967 1.00 0.00 C ATOM 1125 C LEU A 71 2.308 5.656 -7.911 1.00 0.00 C ATOM 1126 O LEU A 71 2.227 6.746 -7.345 1.00 0.00 O ATOM 1127 CB LEU A 71 0.125 5.056 -6.848 1.00 0.00 C ATOM 1128 CG LEU A 71 -1.055 4.098 -6.677 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -1.530 4.089 -5.232 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -2.193 4.481 -7.612 1.00 0.00 C ATOM 0 H LEU A 71 1.800 3.036 -6.912 1.00 0.00 H new ATOM 0 HA LEU A 71 0.617 4.839 -8.931 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.674 5.097 -5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.268 6.056 -7.031 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.722 3.093 -6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.370 3.402 -5.129 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.716 3.766 -4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.845 5.093 -4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.024 3.789 -7.477 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.525 5.494 -7.386 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.847 4.435 -8.645 1.00 0.00 H new ATOM 1142 N ALA A 72 3.418 5.230 -8.504 1.00 0.00 N ATOM 1143 CA ALA A 72 4.631 6.038 -8.526 1.00 0.00 C ATOM 1144 C ALA A 72 4.313 7.497 -8.836 1.00 0.00 C ATOM 1145 O ALA A 72 4.506 8.375 -7.996 1.00 0.00 O ATOM 1146 CB ALA A 72 5.617 5.483 -9.544 1.00 0.00 C ATOM 0 H ALA A 72 3.502 4.330 -8.976 1.00 0.00 H new ATOM 0 HA ALA A 72 5.085 5.994 -7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.518 6.096 -9.550 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.877 4.459 -9.278 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.163 5.496 -10.535 1.00 0.00 H new ATOM 1152 N GLU A 73 3.826 7.748 -10.047 1.00 0.00 N ATOM 1153 CA GLU A 73 3.483 9.101 -10.467 1.00 0.00 C ATOM 1154 C GLU A 73 2.090 9.486 -9.978 1.00 0.00 C ATOM 1155 O GLU A 73 1.873 10.602 -9.508 1.00 0.00 O ATOM 1156 CB GLU A 73 3.551 9.219 -11.991 1.00 0.00 C ATOM 1157 CG GLU A 73 4.953 9.472 -12.521 1.00 0.00 C ATOM 1158 CD GLU A 73 5.429 10.887 -12.257 1.00 0.00 C ATOM 1159 OE1 GLU A 73 5.175 11.766 -13.107 1.00 0.00 O ATOM 1160 OE2 GLU A 73 6.056 11.116 -11.202 1.00 0.00 O ATOM 0 H GLU A 73 3.660 7.032 -10.754 1.00 0.00 H new ATOM 0 HA GLU A 73 4.207 9.785 -10.024 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.164 8.302 -12.435 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.898 10.030 -12.314 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.645 8.768 -12.059 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.972 9.280 -13.594 1.00 0.00 H new ATOM 1167 N GLU A 74 1.150 8.554 -10.094 1.00 0.00 N ATOM 1168 CA GLU A 74 -0.223 8.796 -9.665 1.00 0.00 C ATOM 1169 C GLU A 74 -0.254 9.474 -8.298 1.00 0.00 C ATOM 1170 O GLU A 74 -1.027 10.406 -8.071 1.00 0.00 O ATOM 1171 CB GLU A 74 -1.004 7.481 -9.612 1.00 0.00 C ATOM 1172 CG GLU A 74 -1.033 6.737 -10.936 1.00 0.00 C ATOM 1173 CD GLU A 74 -1.847 7.458 -11.993 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -1.468 8.587 -12.367 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -2.864 6.892 -12.445 1.00 0.00 O ATOM 0 H GLU A 74 1.313 7.625 -10.481 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.692 9.459 -10.392 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.562 6.836 -8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.027 7.688 -9.299 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.013 6.604 -11.296 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.448 5.741 -10.780 1.00 0.00 H new ATOM 1182 N LEU A 75 0.592 8.999 -7.389 1.00 0.00 N ATOM 1183 CA LEU A 75 0.662 9.558 -6.044 1.00 0.00 C ATOM 1184 C LEU A 75 1.513 10.823 -6.023 1.00 0.00 C ATOM 1185 O LEU A 75 1.355 11.676 -5.150 1.00 0.00 O ATOM 1186 CB LEU A 75 1.237 8.527 -5.071 1.00 0.00 C ATOM 1187 CG LEU A 75 2.757 8.357 -5.095 1.00 0.00 C ATOM 1188 CD1 LEU A 75 3.419 9.344 -4.145 1.00 0.00 C ATOM 1189 CD2 LEU A 75 3.139 6.929 -4.734 1.00 0.00 C ATOM 0 H LEU A 75 1.238 8.229 -7.560 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.350 9.818 -5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.938 8.805 -4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.780 7.561 -5.284 1.00 0.00 H new ATOM 0 HG LEU A 75 3.111 8.563 -6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.500 9.209 -4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.172 10.362 -4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.060 9.170 -3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.224 6.826 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.773 6.696 -3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.695 6.241 -5.453 1.00 0.00 H new ATOM 1201 N SER A 76 2.416 10.939 -6.993 1.00 0.00 N ATOM 1202 CA SER A 76 3.293 12.100 -7.085 1.00 0.00 C ATOM 1203 C SER A 76 2.664 13.189 -7.948 1.00 0.00 C ATOM 1204 O SER A 76 3.332 14.141 -8.352 1.00 0.00 O ATOM 1205 CB SER A 76 4.650 11.694 -7.664 1.00 0.00 C ATOM 1206 OG SER A 76 5.448 11.046 -6.689 1.00 0.00 O ATOM 0 H SER A 76 2.559 10.243 -7.725 1.00 0.00 H new ATOM 0 HA SER A 76 3.438 12.497 -6.080 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.501 11.031 -8.516 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.170 12.578 -8.035 1.00 0.00 H new ATOM 0 HG SER A 76 5.399 10.076 -6.818 1.00 0.00 H new ATOM 1212 N THR A 77 1.373 13.042 -8.228 1.00 0.00 N ATOM 1213 CA THR A 77 0.652 14.011 -9.044 1.00 0.00 C ATOM 1214 C THR A 77 0.187 15.197 -8.207 1.00 0.00 C ATOM 1215 O THR A 77 0.616 16.330 -8.424 1.00 0.00 O ATOM 1216 CB THR A 77 -0.569 13.370 -9.729 1.00 0.00 C ATOM 1217 OG1 THR A 77 -0.159 12.237 -10.502 1.00 0.00 O ATOM 1218 CG2 THR A 77 -1.274 14.375 -10.628 1.00 0.00 C ATOM 0 H THR A 77 0.805 12.260 -7.901 1.00 0.00 H new ATOM 0 HA THR A 77 1.346 14.360 -9.808 1.00 0.00 H new ATOM 0 HB THR A 77 -1.265 13.048 -8.954 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.600 11.799 -10.063 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.133 13.900 -11.101 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.611 15.223 -10.032 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.583 14.723 -11.396 1.00 0.00 H new ATOM 1226 N THR A 78 -0.692 14.929 -7.247 1.00 0.00 N ATOM 1227 CA THR A 78 -1.216 15.974 -6.377 1.00 0.00 C ATOM 1228 C THR A 78 -1.079 15.587 -4.909 1.00 0.00 C ATOM 1229 O THR A 78 -0.889 16.445 -4.045 1.00 0.00 O ATOM 1230 CB THR A 78 -2.697 16.269 -6.681 1.00 0.00 C ATOM 1231 OG1 THR A 78 -3.205 17.234 -5.753 1.00 0.00 O ATOM 1232 CG2 THR A 78 -3.529 14.998 -6.606 1.00 0.00 C ATOM 0 H THR A 78 -1.056 13.996 -7.052 1.00 0.00 H new ATOM 0 HA THR A 78 -0.627 16.871 -6.571 1.00 0.00 H new ATOM 0 HB THR A 78 -2.764 16.669 -7.693 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.147 17.417 -5.954 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.571 15.232 -6.824 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.158 14.277 -7.335 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.455 14.573 -5.605 1.00 0.00 H new ATOM 1240 N VAL A 79 -1.174 14.291 -4.631 1.00 0.00 N ATOM 1241 CA VAL A 79 -1.059 13.790 -3.267 1.00 0.00 C ATOM 1242 C VAL A 79 0.375 13.899 -2.761 1.00 0.00 C ATOM 1243 O VAL A 79 1.308 13.406 -3.397 1.00 0.00 O ATOM 1244 CB VAL A 79 -1.517 12.323 -3.166 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -1.123 11.731 -1.822 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -3.019 12.219 -3.385 1.00 0.00 C ATOM 0 H VAL A 79 -1.331 13.568 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.709 14.408 -2.647 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.018 11.750 -3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.455 10.694 -1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.039 11.771 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.592 12.303 -1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.326 11.176 -3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.539 12.805 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.270 12.601 -4.375 1.00 0.00 H new ATOM 1256 N HIS A 80 0.545 14.546 -1.613 1.00 0.00 N ATOM 1257 CA HIS A 80 1.867 14.719 -1.020 1.00 0.00 C ATOM 1258 C HIS A 80 2.177 13.586 -0.046 1.00 0.00 C ATOM 1259 O HIS A 80 3.115 12.817 -0.253 1.00 0.00 O ATOM 1260 CB HIS A 80 1.954 16.065 -0.300 1.00 0.00 C ATOM 1261 CG HIS A 80 3.284 16.315 0.342 1.00 0.00 C ATOM 1262 ND1 HIS A 80 4.470 16.317 -0.360 1.00 0.00 N ATOM 1263 CD2 HIS A 80 3.610 16.574 1.630 1.00 0.00 C ATOM 1264 CE1 HIS A 80 5.469 16.565 0.468 1.00 0.00 C ATOM 1265 NE2 HIS A 80 4.974 16.726 1.682 1.00 0.00 N ATOM 0 H HIS A 80 -0.216 14.959 -1.074 1.00 0.00 H new ATOM 0 HA HIS A 80 2.604 14.697 -1.822 1.00 0.00 H new ATOM 0 HB2 HIS A 80 1.748 16.863 -1.013 1.00 0.00 H new ATOM 0 HB3 HIS A 80 1.177 16.111 0.463 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.925 16.647 2.462 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.513 16.626 0.198 1.00 0.00 H new ATOM 0 HE2 HIS A 80 5.516 16.930 2.521 1.00 0.00 H new ATOM 1274 N ALA A 81 1.384 13.491 1.016 1.00 0.00 N ATOM 1275 CA ALA A 81 1.573 12.452 2.020 1.00 0.00 C ATOM 1276 C ALA A 81 0.609 11.292 1.800 1.00 0.00 C ATOM 1277 O ALA A 81 -0.415 11.441 1.131 1.00 0.00 O ATOM 1278 CB ALA A 81 1.396 13.030 3.417 1.00 0.00 C ATOM 0 H ALA A 81 0.604 14.121 1.203 1.00 0.00 H new ATOM 0 HA ALA A 81 2.589 12.068 1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.540 12.243 4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.130 13.820 3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.392 13.442 3.516 1.00 0.00 H new ATOM 1284 N LEU A 82 0.942 10.137 2.364 1.00 0.00 N ATOM 1285 CA LEU A 82 0.105 8.950 2.228 1.00 0.00 C ATOM 1286 C LEU A 82 0.275 8.023 3.427 1.00 0.00 C ATOM 1287 O LEU A 82 1.392 7.645 3.779 1.00 0.00 O ATOM 1288 CB LEU A 82 0.450 8.202 0.939 1.00 0.00 C ATOM 1289 CG LEU A 82 -0.423 6.991 0.610 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -1.892 7.316 0.834 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -0.188 6.537 -0.823 1.00 0.00 C ATOM 0 H LEU A 82 1.786 9.997 2.920 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.935 9.273 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.389 8.905 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.487 7.871 1.001 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.146 6.175 1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.498 6.442 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.049 7.592 1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.183 8.147 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.818 5.674 -1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.437 7.348 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.859 6.263 -0.951 1.00 0.00 H new ATOM 1303 N ALA A 83 -0.841 7.659 4.051 1.00 0.00 N ATOM 1304 CA ALA A 83 -0.816 6.773 5.208 1.00 0.00 C ATOM 1305 C ALA A 83 -1.297 5.374 4.839 1.00 0.00 C ATOM 1306 O ALA A 83 -2.498 5.103 4.827 1.00 0.00 O ATOM 1307 CB ALA A 83 -1.667 7.347 6.331 1.00 0.00 C ATOM 0 H ALA A 83 -1.774 7.964 3.774 1.00 0.00 H new ATOM 0 HA ALA A 83 0.215 6.695 5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.639 6.675 7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.276 8.322 6.621 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.696 7.456 5.989 1.00 0.00 H new ATOM 1313 N LEU A 84 -0.353 4.489 4.538 1.00 0.00 N ATOM 1314 CA LEU A 84 -0.680 3.117 4.168 1.00 0.00 C ATOM 1315 C LEU A 84 -1.029 2.289 5.400 1.00 0.00 C ATOM 1316 O LEU A 84 -0.145 1.827 6.122 1.00 0.00 O ATOM 1317 CB LEU A 84 0.492 2.475 3.423 1.00 0.00 C ATOM 1318 CG LEU A 84 0.914 3.157 2.121 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.187 2.527 1.578 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.204 3.079 1.092 1.00 0.00 C ATOM 0 H LEU A 84 0.645 4.697 4.543 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.550 3.142 3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.352 2.450 4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.232 1.440 3.200 1.00 0.00 H new ATOM 0 HG LEU A 84 1.114 4.208 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.473 3.025 0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.987 2.636 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.015 1.468 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.114 3.569 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.436 2.034 0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.092 3.578 1.481 1.00 0.00 H new ATOM 1332 N HIS A 85 -2.325 2.103 5.635 1.00 0.00 N ATOM 1333 CA HIS A 85 -2.791 1.328 6.779 1.00 0.00 C ATOM 1334 C HIS A 85 -3.275 -0.051 6.340 1.00 0.00 C ATOM 1335 O HIS A 85 -4.476 -0.286 6.206 1.00 0.00 O ATOM 1336 CB HIS A 85 -3.916 2.070 7.501 1.00 0.00 C ATOM 1337 CG HIS A 85 -4.648 1.225 8.498 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -4.207 1.035 9.790 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -5.798 0.520 8.386 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -5.053 0.248 10.430 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -6.028 -0.078 9.600 1.00 0.00 N ATOM 0 H HIS A 85 -3.070 2.478 5.048 1.00 0.00 H new ATOM 0 HA HIS A 85 -1.953 1.199 7.464 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.499 2.939 8.010 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -4.626 2.444 6.763 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.419 0.442 7.506 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -4.963 -0.074 11.457 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -6.823 -0.677 9.825 1.00 0.00 H new ATOM 1350 N THR A 86 -2.331 -0.961 6.117 1.00 0.00 N ATOM 1351 CA THR A 86 -2.660 -2.315 5.691 1.00 0.00 C ATOM 1352 C THR A 86 -2.434 -3.316 6.818 1.00 0.00 C ATOM 1353 O THR A 86 -1.707 -3.037 7.772 1.00 0.00 O ATOM 1354 CB THR A 86 -1.825 -2.738 4.468 1.00 0.00 C ATOM 1355 OG1 THR A 86 -0.438 -2.792 4.818 1.00 0.00 O ATOM 1356 CG2 THR A 86 -2.025 -1.768 3.314 1.00 0.00 C ATOM 0 H THR A 86 -1.332 -0.784 6.225 1.00 0.00 H new ATOM 0 HA THR A 86 -3.715 -2.313 5.417 1.00 0.00 H new ATOM 0 HB THR A 86 -2.159 -3.726 4.152 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.051 -3.305 4.141 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.425 -2.088 2.462 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.077 -1.751 3.031 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.716 -0.769 3.621 1.00 0.00 H new ATOM 1364 N TYR A 87 -3.059 -4.482 6.702 1.00 0.00 N ATOM 1365 CA TYR A 87 -2.927 -5.524 7.713 1.00 0.00 C ATOM 1366 C TYR A 87 -2.978 -6.910 7.077 1.00 0.00 C ATOM 1367 O TYR A 87 -3.732 -7.146 6.132 1.00 0.00 O ATOM 1368 CB TYR A 87 -4.033 -5.392 8.761 1.00 0.00 C ATOM 1369 CG TYR A 87 -3.668 -4.487 9.916 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -3.517 -3.118 9.731 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -3.473 -5.001 11.192 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -3.182 -2.288 10.783 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -3.140 -4.178 12.250 1.00 0.00 C ATOM 1374 CZ TYR A 87 -2.995 -2.822 12.041 1.00 0.00 C ATOM 1375 OH TYR A 87 -2.662 -2.000 13.092 1.00 0.00 O ATOM 0 H TYR A 87 -3.662 -4.729 5.918 1.00 0.00 H new ATOM 0 HA TYR A 87 -1.959 -5.401 8.199 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.933 -5.009 8.281 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.275 -6.382 9.148 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.664 -2.696 8.748 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.584 -6.062 11.359 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.067 -1.226 10.621 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.994 -4.594 13.236 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.568 -2.534 13.908 1.00 0.00 H new ATOM 1385 N THR A 88 -2.169 -7.825 7.601 1.00 0.00 N ATOM 1386 CA THR A 88 -2.119 -9.187 7.086 1.00 0.00 C ATOM 1387 C THR A 88 -3.400 -9.946 7.414 1.00 0.00 C ATOM 1388 O THR A 88 -3.926 -9.845 8.523 1.00 0.00 O ATOM 1389 CB THR A 88 -0.917 -9.961 7.659 1.00 0.00 C ATOM 1390 OG1 THR A 88 -0.821 -9.744 9.071 1.00 0.00 O ATOM 1391 CG2 THR A 88 0.376 -9.528 6.985 1.00 0.00 C ATOM 0 H THR A 88 -1.539 -7.647 8.383 1.00 0.00 H new ATOM 0 HA THR A 88 -2.011 -9.112 6.004 1.00 0.00 H new ATOM 0 HB THR A 88 -1.072 -11.023 7.466 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.119 -9.627 9.321 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.211 -10.088 7.406 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.311 -9.723 5.915 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.534 -8.462 7.151 1.00 0.00 H new ATOM 1399 N ILE A 89 -3.897 -10.706 6.444 1.00 0.00 N ATOM 1400 CA ILE A 89 -5.116 -11.483 6.632 1.00 0.00 C ATOM 1401 C ILE A 89 -5.224 -12.000 8.062 1.00 0.00 C ATOM 1402 O ILE A 89 -6.280 -11.912 8.688 1.00 0.00 O ATOM 1403 CB ILE A 89 -5.177 -12.678 5.661 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -5.202 -12.185 4.213 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -6.396 -13.538 5.955 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -3.826 -11.994 3.615 1.00 0.00 C ATOM 0 H ILE A 89 -3.475 -10.800 5.520 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.951 -10.814 6.426 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.285 -13.288 5.802 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.758 -12.899 3.605 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -5.743 -11.240 4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.425 -14.378 5.261 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.338 -13.914 6.977 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.300 -12.940 5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.921 -11.643 2.587 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.274 -11.258 4.200 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.289 -12.943 3.626 1.00 0.00 H new ATOM 1418 N LYS A 90 -4.123 -12.537 8.576 1.00 0.00 N ATOM 1419 CA LYS A 90 -4.091 -13.065 9.935 1.00 0.00 C ATOM 1420 C LYS A 90 -4.278 -11.949 10.957 1.00 0.00 C ATOM 1421 O LYS A 90 -5.290 -11.899 11.656 1.00 0.00 O ATOM 1422 CB LYS A 90 -2.768 -13.790 10.192 1.00 0.00 C ATOM 1423 CG LYS A 90 -2.731 -15.204 9.640 1.00 0.00 C ATOM 1424 CD LYS A 90 -2.215 -15.233 8.212 1.00 0.00 C ATOM 1425 CE LYS A 90 -2.298 -16.630 7.617 1.00 0.00 C ATOM 1426 NZ LYS A 90 -3.600 -16.866 6.934 1.00 0.00 N ATOM 0 H LYS A 90 -3.240 -12.618 8.072 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.913 -13.773 10.042 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.956 -13.214 9.748 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.585 -13.823 11.266 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.094 -15.825 10.270 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.731 -15.635 9.675 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.794 -14.541 7.601 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.181 -14.888 8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.484 -16.771 6.906 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.163 -17.369 8.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.617 -17.829 6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.376 -16.757 7.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.718 -16.177 6.164 1.00 0.00 H new ATOM 1440 N GLU A 91 -3.297 -11.055 11.037 1.00 0.00 N ATOM 1441 CA GLU A 91 -3.356 -9.939 11.974 1.00 0.00 C ATOM 1442 C GLU A 91 -4.776 -9.390 12.078 1.00 0.00 C ATOM 1443 O GLU A 91 -5.294 -9.183 13.176 1.00 0.00 O ATOM 1444 CB GLU A 91 -2.399 -8.828 11.539 1.00 0.00 C ATOM 1445 CG GLU A 91 -0.966 -9.044 11.997 1.00 0.00 C ATOM 1446 CD GLU A 91 -0.165 -7.757 12.034 1.00 0.00 C ATOM 1447 OE1 GLU A 91 -0.697 -6.742 12.530 1.00 0.00 O ATOM 1448 OE2 GLU A 91 0.993 -7.765 11.567 1.00 0.00 O ATOM 0 H GLU A 91 -2.453 -11.082 10.465 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.054 -10.306 12.955 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.416 -8.750 10.452 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.758 -7.877 11.932 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.970 -9.494 12.990 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.478 -9.752 11.328 1.00 0.00 H new ATOM 1455 N TRP A 92 -5.399 -9.156 10.929 1.00 0.00 N ATOM 1456 CA TRP A 92 -6.759 -8.631 10.890 1.00 0.00 C ATOM 1457 C TRP A 92 -7.768 -9.701 11.291 1.00 0.00 C ATOM 1458 O TRP A 92 -8.711 -9.430 12.033 1.00 0.00 O ATOM 1459 CB TRP A 92 -7.085 -8.105 9.491 1.00 0.00 C ATOM 1460 CG TRP A 92 -8.069 -6.974 9.496 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -9.193 -6.863 8.729 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -8.015 -5.795 10.306 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -9.841 -5.685 9.013 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -9.139 -5.012 9.977 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -7.128 -5.324 11.278 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -9.396 -3.787 10.586 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -7.384 -4.108 11.881 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -8.511 -3.350 11.534 1.00 0.00 C ATOM 0 H TRP A 92 -4.984 -9.321 10.012 1.00 0.00 H new ATOM 0 HA TRP A 92 -6.825 -7.810 11.604 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -6.164 -7.774 9.011 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.483 -8.921 8.888 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.524 -7.593 8.006 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -10.705 -5.364 8.576 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -6.257 -5.901 11.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -10.264 -3.202 10.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.704 -3.735 12.633 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -8.684 -2.403 12.024 1.00 0.00 H new ATOM 1479 N GLU A 93 -7.562 -10.918 10.796 1.00 0.00 N ATOM 1480 CA GLU A 93 -8.456 -12.028 11.104 1.00 0.00 C ATOM 1481 C GLU A 93 -8.768 -12.077 12.597 1.00 0.00 C ATOM 1482 O GLU A 93 -9.778 -12.644 13.013 1.00 0.00 O ATOM 1483 CB GLU A 93 -7.832 -13.353 10.660 1.00 0.00 C ATOM 1484 CG GLU A 93 -8.193 -13.748 9.237 1.00 0.00 C ATOM 1485 CD GLU A 93 -9.498 -14.516 9.159 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -9.498 -15.720 9.489 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -10.519 -13.912 8.768 1.00 0.00 O ATOM 0 H GLU A 93 -6.785 -11.160 10.181 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.387 -11.872 10.560 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.748 -13.281 10.744 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.153 -14.142 11.340 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.266 -12.851 8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.392 -14.357 8.818 1.00 0.00 H new ATOM 1494 N GLY A 94 -7.893 -11.478 13.399 1.00 0.00 N ATOM 1495 CA GLY A 94 -8.092 -11.465 14.837 1.00 0.00 C ATOM 1496 C GLY A 94 -6.969 -10.761 15.571 1.00 0.00 C ATOM 1497 O GLY A 94 -6.251 -11.377 16.360 1.00 0.00 O ATOM 0 H GLY A 94 -7.050 -11.001 13.079 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.037 -10.972 15.066 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.172 -12.490 15.199 1.00 0.00 H new