USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 572 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 29 SER OG : rot 21:sc= 0.365 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.00083) USER MOD Single : A 39 THR OG1 : rot -168:sc= -0.98 USER MOD Single : A 40 TYR OH : rot -114:sc= 0.391 USER MOD Single : A 43 GLN : amide:sc= -0.07 X(o=-0.07,f=-0.45) USER MOD Single : A 45 LYS NZ :NH3+ -152:sc= 1.2 (180deg=1.07) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 66:sc= 0.593 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.273 K(o=-0.27,f=-3.1!) USER MOD Single : A 62 MET CE :methyl 134:sc= -0.221 (180deg=-0.963) USER MOD Single : A 63 LYS NZ :NH3+ -152:sc= 1.26 (180deg=1.12) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 73:sc= 1.22 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0289 USER MOD Single : A 72 THR OG1 : rot 93:sc= 0.0617 USER MOD Single : A 80 SER OG : rot 78:sc= 0.961 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS :FLIP no HE2:sc=0.000754 F(o=-0.57,f=0.00075) USER MOD Single : A 86 HIS : no HD1:sc= -0.139 K(o=-0.14,f=-1.4) USER MOD Single : A 94 ASN : amide:sc= -0.0222 K(o=-0.022,f=-0.99) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -170:sc= 1.59 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N SER A 29 11.514 12.076 -0.625 1.00 10.00 N ATOM 38 CA SER A 29 12.597 11.566 0.204 1.00 10.00 C ATOM 39 C SER A 29 12.983 10.158 -0.240 1.00 10.00 C ATOM 40 O SER A 29 12.181 9.223 -0.150 1.00 10.00 O ATOM 41 CB SER A 29 12.173 11.570 1.676 1.00 10.00 C ATOM 42 OG SER A 29 11.482 12.765 2.000 1.00 10.00 O ATOM 0 HA SER A 29 13.467 12.212 0.090 1.00 10.00 H new ATOM 0 HB2 SER A 29 11.534 10.710 1.877 1.00 10.00 H new ATOM 0 HB3 SER A 29 13.052 11.470 2.312 1.00 10.00 H new ATOM 0 HG SER A 29 11.129 13.171 1.181 1.00 10.00 H new ATOM 48 N SER A 30 14.201 10.015 -0.738 1.00 10.00 N ATOM 49 CA SER A 30 14.692 8.727 -1.204 1.00 10.00 C ATOM 50 C SER A 30 15.707 8.151 -0.221 1.00 10.00 C ATOM 51 O SER A 30 16.683 8.816 0.139 1.00 10.00 O ATOM 52 CB SER A 30 15.320 8.876 -2.590 1.00 10.00 C ATOM 53 OG SER A 30 14.403 9.459 -3.503 1.00 10.00 O ATOM 0 H SER A 30 14.871 10.779 -0.830 1.00 10.00 H new ATOM 0 HA SER A 30 13.850 8.037 -1.270 1.00 10.00 H new ATOM 0 HB2 SER A 30 16.215 9.494 -2.523 1.00 10.00 H new ATOM 0 HB3 SER A 30 15.634 7.899 -2.958 1.00 10.00 H new ATOM 0 HG SER A 30 14.827 9.546 -4.382 1.00 10.00 H new ATOM 59 N GLY A 31 15.474 6.918 0.204 1.00 10.00 N ATOM 60 CA GLY A 31 16.373 6.276 1.140 1.00 10.00 C ATOM 61 C GLY A 31 15.636 5.697 2.327 1.00 10.00 C ATOM 62 O GLY A 31 15.945 6.018 3.476 1.00 10.00 O ATOM 0 H GLY A 31 14.677 6.350 -0.083 1.00 10.00 H new ATOM 0 HA2 GLY A 31 16.920 5.483 0.631 1.00 10.00 H new ATOM 0 HA3 GLY A 31 17.110 6.999 1.489 1.00 10.00 H new ATOM 66 N VAL A 32 14.652 4.846 2.057 1.00 10.00 N ATOM 67 CA VAL A 32 13.868 4.219 3.115 1.00 10.00 C ATOM 68 C VAL A 32 14.706 3.224 3.912 1.00 10.00 C ATOM 69 O VAL A 32 15.700 2.679 3.413 1.00 10.00 O ATOM 70 CB VAL A 32 12.620 3.504 2.558 1.00 10.00 C ATOM 71 CG1 VAL A 32 11.583 4.519 2.111 1.00 10.00 C ATOM 72 CG2 VAL A 32 12.992 2.577 1.411 1.00 10.00 C ATOM 0 H VAL A 32 14.378 4.574 1.113 1.00 10.00 H new ATOM 0 HA VAL A 32 13.543 5.022 3.776 1.00 10.00 H new ATOM 0 HB VAL A 32 12.190 2.898 3.355 1.00 10.00 H new ATOM 0 HG11 VAL A 32 10.709 3.998 1.721 1.00 10.00 H new ATOM 0 HG12 VAL A 32 11.289 5.136 2.960 1.00 10.00 H new ATOM 0 HG13 VAL A 32 12.006 5.152 1.331 1.00 10.00 H new ATOM 0 HG21 VAL A 32 12.095 2.085 1.036 1.00 10.00 H new ATOM 0 HG22 VAL A 32 13.451 3.156 0.609 1.00 10.00 H new ATOM 0 HG23 VAL A 32 13.697 1.825 1.765 1.00 10.00 H new ATOM 82 N HIS A 33 14.308 2.986 5.153 1.00 10.00 N ATOM 83 CA HIS A 33 15.025 2.069 6.022 1.00 10.00 C ATOM 84 C HIS A 33 14.341 0.710 6.046 1.00 10.00 C ATOM 85 O HIS A 33 13.362 0.493 5.335 1.00 10.00 O ATOM 86 CB HIS A 33 15.110 2.640 7.433 1.00 10.00 C ATOM 87 CG HIS A 33 16.092 3.763 7.564 1.00 10.00 C ATOM 88 ND1 HIS A 33 17.401 3.533 7.925 1.00 10.00 N ATOM 89 CD2 HIS A 33 15.910 5.094 7.378 1.00 10.00 C ATOM 90 CE1 HIS A 33 17.981 4.721 7.949 1.00 10.00 C ATOM 91 NE2 HIS A 33 17.117 5.691 7.622 1.00 10.00 N ATOM 0 H HIS A 33 13.489 3.418 5.581 1.00 10.00 H new ATOM 0 HA HIS A 33 16.035 1.941 5.632 1.00 10.00 H new ATOM 0 HB2 HIS A 33 14.124 2.993 7.734 1.00 10.00 H new ATOM 0 HB3 HIS A 33 15.387 1.843 8.123 1.00 10.00 H new ATOM 0 HD2 HIS A 33 14.992 5.586 7.093 1.00 10.00 H new ATOM 0 HE1 HIS A 33 19.018 4.888 8.200 1.00 10.00 H new ATOM 0 HE2 HIS A 33 17.321 6.689 7.565 1.00 10.00 H new ATOM 99 N VAL A 34 14.858 -0.199 6.871 1.00 10.00 N ATOM 100 CA VAL A 34 14.287 -1.539 6.993 1.00 10.00 C ATOM 101 C VAL A 34 12.882 -1.474 7.584 1.00 10.00 C ATOM 102 O VAL A 34 12.090 -2.405 7.448 1.00 10.00 O ATOM 103 CB VAL A 34 15.168 -2.462 7.866 1.00 10.00 C ATOM 104 CG1 VAL A 34 16.541 -2.633 7.234 1.00 10.00 C ATOM 105 CG2 VAL A 34 15.293 -1.922 9.286 1.00 10.00 C ATOM 0 H VAL A 34 15.671 -0.032 7.464 1.00 10.00 H new ATOM 0 HA VAL A 34 14.241 -1.958 5.988 1.00 10.00 H new ATOM 0 HB VAL A 34 14.686 -3.438 7.923 1.00 10.00 H new ATOM 0 HG11 VAL A 34 17.151 -3.285 7.859 1.00 10.00 H new ATOM 0 HG12 VAL A 34 16.433 -3.076 6.244 1.00 10.00 H new ATOM 0 HG13 VAL A 34 17.024 -1.660 7.145 1.00 10.00 H new ATOM 0 HG21 VAL A 34 15.918 -2.592 9.876 1.00 10.00 H new ATOM 0 HG22 VAL A 34 15.747 -0.931 9.260 1.00 10.00 H new ATOM 0 HG23 VAL A 34 14.304 -1.856 9.739 1.00 10.00 H new ATOM 115 N GLU A 35 12.580 -0.371 8.249 1.00 10.00 N ATOM 116 CA GLU A 35 11.267 -0.178 8.841 1.00 10.00 C ATOM 117 C GLU A 35 10.442 0.763 7.972 1.00 10.00 C ATOM 118 O GLU A 35 9.971 1.805 8.427 1.00 10.00 O ATOM 119 CB GLU A 35 11.388 0.380 10.254 1.00 10.00 C ATOM 120 CG GLU A 35 12.012 -0.593 11.236 1.00 10.00 C ATOM 121 CD GLU A 35 11.677 -0.250 12.669 1.00 10.00 C ATOM 122 OE1 GLU A 35 12.343 0.632 13.246 1.00 10.00 O ATOM 123 OE2 GLU A 35 10.744 -0.866 13.223 1.00 10.00 O ATOM 0 H GLU A 35 13.227 0.405 8.392 1.00 10.00 H new ATOM 0 HA GLU A 35 10.766 -1.144 8.898 1.00 10.00 H new ATOM 0 HB2 GLU A 35 11.986 1.291 10.227 1.00 10.00 H new ATOM 0 HB3 GLU A 35 10.397 0.660 10.612 1.00 10.00 H new ATOM 0 HG2 GLU A 35 11.665 -1.602 11.015 1.00 10.00 H new ATOM 0 HG3 GLU A 35 13.094 -0.593 11.107 1.00 10.00 H new ATOM 130 N ASP A 36 10.287 0.388 6.715 1.00 10.00 N ATOM 131 CA ASP A 36 9.540 1.180 5.745 1.00 10.00 C ATOM 132 C ASP A 36 8.070 0.782 5.723 1.00 10.00 C ATOM 133 O ASP A 36 7.227 1.483 5.152 1.00 10.00 O ATOM 134 CB ASP A 36 10.155 1.020 4.353 1.00 10.00 C ATOM 135 CG ASP A 36 10.182 -0.422 3.868 1.00 10.00 C ATOM 136 OD1 ASP A 36 10.415 -1.342 4.688 1.00 10.00 O ATOM 137 OD2 ASP A 36 9.996 -0.641 2.658 1.00 10.00 O ATOM 0 H ASP A 36 10.675 -0.475 6.334 1.00 10.00 H new ATOM 0 HA ASP A 36 9.599 2.227 6.043 1.00 10.00 H new ATOM 0 HB2 ASP A 36 9.591 1.624 3.643 1.00 10.00 H new ATOM 0 HB3 ASP A 36 11.173 1.411 4.366 1.00 10.00 H new ATOM 142 N ALA A 37 7.770 -0.341 6.364 1.00 10.00 N ATOM 143 CA ALA A 37 6.406 -0.849 6.440 1.00 10.00 C ATOM 144 C ALA A 37 5.478 0.150 7.128 1.00 10.00 C ATOM 145 O ALA A 37 4.410 0.483 6.616 1.00 10.00 O ATOM 146 CB ALA A 37 6.388 -2.187 7.170 1.00 10.00 C ATOM 0 H ALA A 37 8.459 -0.921 6.842 1.00 10.00 H new ATOM 0 HA ALA A 37 6.039 -0.994 5.424 1.00 10.00 H new ATOM 0 HB1 ALA A 37 5.365 -2.559 7.222 1.00 10.00 H new ATOM 0 HB2 ALA A 37 7.008 -2.904 6.631 1.00 10.00 H new ATOM 0 HB3 ALA A 37 6.778 -2.056 8.179 1.00 10.00 H new ATOM 152 N LEU A 38 5.909 0.653 8.277 1.00 10.00 N ATOM 153 CA LEU A 38 5.111 1.603 9.043 1.00 10.00 C ATOM 154 C LEU A 38 5.045 2.970 8.367 1.00 10.00 C ATOM 155 O LEU A 38 4.115 3.742 8.608 1.00 10.00 O ATOM 156 CB LEU A 38 5.675 1.745 10.459 1.00 10.00 C ATOM 157 CG LEU A 38 7.159 2.115 10.545 1.00 10.00 C ATOM 158 CD1 LEU A 38 7.330 3.599 10.803 1.00 10.00 C ATOM 159 CD2 LEU A 38 7.847 1.311 11.633 1.00 10.00 C ATOM 0 H LEU A 38 6.807 0.419 8.700 1.00 10.00 H new ATOM 0 HA LEU A 38 4.095 1.211 9.093 1.00 10.00 H new ATOM 0 HB2 LEU A 38 5.098 2.505 10.986 1.00 10.00 H new ATOM 0 HB3 LEU A 38 5.522 0.804 10.988 1.00 10.00 H new ATOM 0 HG LEU A 38 7.623 1.876 9.588 1.00 10.00 H new ATOM 0 HD11 LEU A 38 8.392 3.838 10.860 1.00 10.00 H new ATOM 0 HD12 LEU A 38 6.874 4.165 9.990 1.00 10.00 H new ATOM 0 HD13 LEU A 38 6.847 3.863 11.744 1.00 10.00 H new ATOM 0 HD21 LEU A 38 8.900 1.588 11.679 1.00 10.00 H new ATOM 0 HD22 LEU A 38 7.375 1.519 12.593 1.00 10.00 H new ATOM 0 HD23 LEU A 38 7.761 0.248 11.409 1.00 10.00 H new ATOM 171 N THR A 39 6.021 3.253 7.514 1.00 10.00 N ATOM 172 CA THR A 39 6.076 4.526 6.814 1.00 10.00 C ATOM 173 C THR A 39 4.901 4.684 5.850 1.00 10.00 C ATOM 174 O THR A 39 4.088 5.596 5.994 1.00 10.00 O ATOM 175 CB THR A 39 7.397 4.674 6.033 1.00 10.00 C ATOM 176 OG1 THR A 39 8.454 4.009 6.740 1.00 10.00 O ATOM 177 CG2 THR A 39 7.750 6.143 5.842 1.00 10.00 C ATOM 0 H THR A 39 6.786 2.616 7.291 1.00 10.00 H new ATOM 0 HA THR A 39 6.018 5.307 7.572 1.00 10.00 H new ATOM 0 HB THR A 39 7.272 4.218 5.051 1.00 10.00 H new ATOM 0 HG1 THR A 39 9.317 4.260 6.350 1.00 10.00 H new ATOM 0 HG21 THR A 39 8.686 6.223 5.289 1.00 10.00 H new ATOM 0 HG22 THR A 39 6.955 6.639 5.285 1.00 10.00 H new ATOM 0 HG23 THR A 39 7.862 6.620 6.816 1.00 10.00 H new ATOM 185 N TYR A 40 4.796 3.776 4.884 1.00 10.00 N ATOM 186 CA TYR A 40 3.723 3.837 3.895 1.00 10.00 C ATOM 187 C TYR A 40 2.361 3.572 4.538 1.00 10.00 C ATOM 188 O TYR A 40 1.336 4.069 4.064 1.00 10.00 O ATOM 189 CB TYR A 40 3.978 2.838 2.758 1.00 10.00 C ATOM 190 CG TYR A 40 3.141 3.100 1.517 1.00 10.00 C ATOM 191 CD1 TYR A 40 1.934 2.438 1.316 1.00 10.00 C ATOM 192 CD2 TYR A 40 3.550 4.020 0.556 1.00 10.00 C ATOM 193 CE1 TYR A 40 1.161 2.683 0.192 1.00 10.00 C ATOM 194 CE2 TYR A 40 2.783 4.267 -0.569 1.00 10.00 C ATOM 195 CZ TYR A 40 1.590 3.598 -0.747 1.00 10.00 C ATOM 196 OH TYR A 40 0.825 3.847 -1.864 1.00 10.00 O ATOM 0 H TYR A 40 5.438 2.992 4.765 1.00 10.00 H new ATOM 0 HA TYR A 40 3.711 4.845 3.480 1.00 10.00 H new ATOM 0 HB2 TYR A 40 5.033 2.870 2.487 1.00 10.00 H new ATOM 0 HB3 TYR A 40 3.772 1.830 3.118 1.00 10.00 H new ATOM 0 HD1 TYR A 40 1.594 1.721 2.048 1.00 10.00 H new ATOM 0 HD2 TYR A 40 4.481 4.550 0.691 1.00 10.00 H new ATOM 0 HE1 TYR A 40 0.227 2.160 0.052 1.00 10.00 H new ATOM 0 HE2 TYR A 40 3.118 4.982 -1.306 1.00 10.00 H new ATOM 0 HH TYR A 40 1.301 3.536 -2.662 1.00 10.00 H new ATOM 206 N LEU A 41 2.362 2.807 5.622 1.00 10.00 N ATOM 207 CA LEU A 41 1.132 2.468 6.332 1.00 10.00 C ATOM 208 C LEU A 41 0.396 3.720 6.807 1.00 10.00 C ATOM 209 O LEU A 41 -0.836 3.767 6.811 1.00 10.00 O ATOM 210 CB LEU A 41 1.456 1.555 7.525 1.00 10.00 C ATOM 211 CG LEU A 41 0.297 0.691 8.060 1.00 10.00 C ATOM 212 CD1 LEU A 41 -0.474 1.422 9.148 1.00 10.00 C ATOM 213 CD2 LEU A 41 -0.649 0.287 6.935 1.00 10.00 C ATOM 0 H LEU A 41 3.206 2.407 6.032 1.00 10.00 H new ATOM 0 HA LEU A 41 0.474 1.942 5.640 1.00 10.00 H new ATOM 0 HB2 LEU A 41 2.272 0.892 7.236 1.00 10.00 H new ATOM 0 HB3 LEU A 41 1.824 2.177 8.341 1.00 10.00 H new ATOM 0 HG LEU A 41 0.733 -0.211 8.489 1.00 10.00 H new ATOM 0 HD11 LEU A 41 -1.286 0.789 9.507 1.00 10.00 H new ATOM 0 HD12 LEU A 41 0.197 1.656 9.975 1.00 10.00 H new ATOM 0 HD13 LEU A 41 -0.887 2.346 8.743 1.00 10.00 H new ATOM 0 HD21 LEU A 41 -1.457 -0.322 7.340 1.00 10.00 H new ATOM 0 HD22 LEU A 41 -1.066 1.181 6.471 1.00 10.00 H new ATOM 0 HD23 LEU A 41 -0.101 -0.288 6.188 1.00 10.00 H new ATOM 225 N ASP A 42 1.153 4.738 7.193 1.00 10.00 N ATOM 226 CA ASP A 42 0.565 5.985 7.676 1.00 10.00 C ATOM 227 C ASP A 42 0.356 6.979 6.540 1.00 10.00 C ATOM 228 O ASP A 42 -0.512 7.846 6.625 1.00 10.00 O ATOM 229 CB ASP A 42 1.446 6.605 8.755 1.00 10.00 C ATOM 230 CG ASP A 42 0.752 7.732 9.495 1.00 10.00 C ATOM 231 OD1 ASP A 42 -0.391 7.527 9.967 1.00 10.00 O ATOM 232 OD2 ASP A 42 1.360 8.814 9.639 1.00 10.00 O ATOM 0 H ASP A 42 2.173 4.728 7.182 1.00 10.00 H new ATOM 0 HA ASP A 42 -0.410 5.748 8.102 1.00 10.00 H new ATOM 0 HB2 ASP A 42 1.740 5.834 9.467 1.00 10.00 H new ATOM 0 HB3 ASP A 42 2.361 6.983 8.299 1.00 10.00 H new ATOM 237 N GLN A 43 1.137 6.840 5.468 1.00 10.00 N ATOM 238 CA GLN A 43 1.030 7.739 4.314 1.00 10.00 C ATOM 239 C GLN A 43 -0.390 7.741 3.757 1.00 10.00 C ATOM 240 O GLN A 43 -0.896 8.774 3.320 1.00 10.00 O ATOM 241 CB GLN A 43 2.022 7.337 3.211 1.00 10.00 C ATOM 242 CG GLN A 43 3.483 7.520 3.597 1.00 10.00 C ATOM 243 CD GLN A 43 3.866 8.978 3.768 1.00 10.00 C ATOM 244 OE1 GLN A 43 3.696 9.556 4.838 1.00 10.00 O ATOM 245 NE2 GLN A 43 4.407 9.576 2.718 1.00 10.00 N ATOM 0 H GLN A 43 1.849 6.116 5.373 1.00 10.00 H new ATOM 0 HA GLN A 43 1.275 8.745 4.655 1.00 10.00 H new ATOM 0 HB2 GLN A 43 1.854 6.293 2.948 1.00 10.00 H new ATOM 0 HB3 GLN A 43 1.816 7.927 2.318 1.00 10.00 H new ATOM 0 HG2 GLN A 43 3.678 6.986 4.527 1.00 10.00 H new ATOM 0 HG3 GLN A 43 4.116 7.070 2.832 1.00 10.00 H new ATOM 0 HE21 GLN A 43 4.532 9.061 1.846 1.00 10.00 H new ATOM 0 HE22 GLN A 43 4.699 10.551 2.781 1.00 10.00 H new ATOM 254 N VAL A 44 -1.034 6.580 3.791 1.00 10.00 N ATOM 255 CA VAL A 44 -2.401 6.436 3.301 1.00 10.00 C ATOM 256 C VAL A 44 -3.371 7.220 4.178 1.00 10.00 C ATOM 257 O VAL A 44 -4.322 7.828 3.683 1.00 10.00 O ATOM 258 CB VAL A 44 -2.827 4.952 3.264 1.00 10.00 C ATOM 259 CG1 VAL A 44 -4.124 4.787 2.479 1.00 10.00 C ATOM 260 CG2 VAL A 44 -1.717 4.097 2.671 1.00 10.00 C ATOM 0 H VAL A 44 -0.628 5.718 4.156 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.429 6.834 2.287 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.007 4.615 4.285 1.00 10.00 H new ATOM 0 HG11 VAL A 44 -4.409 3.735 2.464 1.00 10.00 H new ATOM 0 HG12 VAL A 44 -4.913 5.370 2.954 1.00 10.00 H new ATOM 0 HG13 VAL A 44 -3.978 5.138 1.458 1.00 10.00 H new ATOM 0 HG21 VAL A 44 -2.032 3.054 2.652 1.00 10.00 H new ATOM 0 HG22 VAL A 44 -1.504 4.431 1.655 1.00 10.00 H new ATOM 0 HG23 VAL A 44 -0.819 4.193 3.281 1.00 10.00 H new ATOM 270 N LYS A 45 -3.100 7.228 5.480 1.00 10.00 N ATOM 271 CA LYS A 45 -3.948 7.927 6.439 1.00 10.00 C ATOM 272 C LYS A 45 -3.894 9.432 6.200 1.00 10.00 C ATOM 273 O LYS A 45 -4.886 10.140 6.375 1.00 10.00 O ATOM 274 CB LYS A 45 -3.512 7.597 7.870 1.00 10.00 C ATOM 275 CG LYS A 45 -4.460 8.111 8.943 1.00 10.00 C ATOM 276 CD LYS A 45 -4.127 7.516 10.301 1.00 10.00 C ATOM 277 CE LYS A 45 -3.576 8.561 11.260 1.00 10.00 C ATOM 278 NZ LYS A 45 -2.364 9.244 10.727 1.00 10.00 N ATOM 0 H LYS A 45 -2.297 6.756 5.896 1.00 10.00 H new ATOM 0 HA LYS A 45 -4.977 7.593 6.302 1.00 10.00 H new ATOM 0 HB2 LYS A 45 -3.420 6.516 7.970 1.00 10.00 H new ATOM 0 HB3 LYS A 45 -2.522 8.019 8.043 1.00 10.00 H new ATOM 0 HG2 LYS A 45 -4.400 9.198 8.995 1.00 10.00 H new ATOM 0 HG3 LYS A 45 -5.487 7.861 8.675 1.00 10.00 H new ATOM 0 HD2 LYS A 45 -5.023 7.067 10.730 1.00 10.00 H new ATOM 0 HD3 LYS A 45 -3.397 6.716 10.177 1.00 10.00 H new ATOM 0 HE2 LYS A 45 -4.347 9.304 11.464 1.00 10.00 H new ATOM 0 HE3 LYS A 45 -3.332 8.085 12.210 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -1.768 9.562 11.518 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 -1.826 8.582 10.132 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 -2.651 10.066 10.158 1.00 10.00 H new ATOM 292 N ILE A 46 -2.725 9.909 5.807 1.00 10.00 N ATOM 293 CA ILE A 46 -2.528 11.322 5.530 1.00 10.00 C ATOM 294 C ILE A 46 -3.179 11.688 4.201 1.00 10.00 C ATOM 295 O ILE A 46 -3.816 12.731 4.068 1.00 10.00 O ATOM 296 CB ILE A 46 -1.023 11.674 5.477 1.00 10.00 C ATOM 297 CG1 ILE A 46 -0.312 11.190 6.747 1.00 10.00 C ATOM 298 CG2 ILE A 46 -0.831 13.172 5.301 1.00 10.00 C ATOM 299 CD1 ILE A 46 1.202 11.187 6.637 1.00 10.00 C ATOM 0 H ILE A 46 -1.893 9.334 5.672 1.00 10.00 H new ATOM 0 HA ILE A 46 -2.991 11.891 6.336 1.00 10.00 H new ATOM 0 HB ILE A 46 -0.582 11.166 4.619 1.00 10.00 H new ATOM 0 HG12 ILE A 46 -0.605 11.827 7.582 1.00 10.00 H new ATOM 0 HG13 ILE A 46 -0.652 10.181 6.981 1.00 10.00 H new ATOM 0 HG21 ILE A 46 0.234 13.401 5.266 1.00 10.00 H new ATOM 0 HG22 ILE A 46 -1.302 13.492 4.372 1.00 10.00 H new ATOM 0 HG23 ILE A 46 -1.288 13.698 6.139 1.00 10.00 H new ATOM 0 HD11 ILE A 46 1.634 10.833 7.573 1.00 10.00 H new ATOM 0 HD12 ILE A 46 1.506 10.527 5.824 1.00 10.00 H new ATOM 0 HD13 ILE A 46 1.554 12.199 6.435 1.00 10.00 H new ATOM 311 N ARG A 47 -3.023 10.801 3.230 1.00 10.00 N ATOM 312 CA ARG A 47 -3.570 11.009 1.897 1.00 10.00 C ATOM 313 C ARG A 47 -5.090 11.078 1.922 1.00 10.00 C ATOM 314 O ARG A 47 -5.682 12.024 1.404 1.00 10.00 O ATOM 315 CB ARG A 47 -3.118 9.885 0.962 1.00 10.00 C ATOM 316 CG ARG A 47 -1.881 10.228 0.150 1.00 10.00 C ATOM 317 CD ARG A 47 -2.185 11.304 -0.872 1.00 10.00 C ATOM 318 NE ARG A 47 -0.968 11.863 -1.456 1.00 10.00 N ATOM 319 CZ ARG A 47 -0.857 13.116 -1.888 1.00 10.00 C ATOM 320 NH1 ARG A 47 -1.892 13.947 -1.801 1.00 10.00 N ATOM 321 NH2 ARG A 47 0.283 13.534 -2.420 1.00 10.00 N ATOM 0 H ARG A 47 -2.517 9.922 3.342 1.00 10.00 H new ATOM 0 HA ARG A 47 -3.194 11.963 1.529 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -2.918 8.991 1.553 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.933 9.641 0.281 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -1.087 10.567 0.815 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -1.514 9.335 -0.355 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -2.808 10.887 -1.663 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -2.760 12.101 -0.400 1.00 10.00 H new ATOM 0 HE ARG A 47 -0.153 11.255 -1.537 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -2.773 13.624 -1.402 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -1.804 14.907 -2.133 1.00 10.00 H new ATOM 0 HH21 ARG A 47 1.074 12.895 -2.498 1.00 10.00 H new ATOM 0 HH22 ARG A 47 0.369 14.495 -2.752 1.00 10.00 H new ATOM 335 N PHE A 48 -5.715 10.085 2.532 1.00 10.00 N ATOM 336 CA PHE A 48 -7.171 10.032 2.606 1.00 10.00 C ATOM 337 C PHE A 48 -7.648 10.463 3.982 1.00 10.00 C ATOM 338 O PHE A 48 -8.404 9.752 4.650 1.00 10.00 O ATOM 339 CB PHE A 48 -7.668 8.622 2.281 1.00 10.00 C ATOM 340 CG PHE A 48 -7.373 8.200 0.871 1.00 10.00 C ATOM 341 CD1 PHE A 48 -8.306 8.389 -0.135 1.00 10.00 C ATOM 342 CD2 PHE A 48 -6.157 7.619 0.552 1.00 10.00 C ATOM 343 CE1 PHE A 48 -8.032 8.004 -1.431 1.00 10.00 C ATOM 344 CE2 PHE A 48 -5.876 7.234 -0.744 1.00 10.00 C ATOM 345 CZ PHE A 48 -6.814 7.427 -1.736 1.00 10.00 C ATOM 0 H PHE A 48 -5.240 9.304 2.984 1.00 10.00 H new ATOM 0 HA PHE A 48 -7.583 10.722 1.869 1.00 10.00 H new ATOM 0 HB2 PHE A 48 -7.207 7.914 2.969 1.00 10.00 H new ATOM 0 HB3 PHE A 48 -8.744 8.575 2.450 1.00 10.00 H new ATOM 0 HD1 PHE A 48 -9.258 8.843 0.098 1.00 10.00 H new ATOM 0 HD2 PHE A 48 -5.420 7.465 1.326 1.00 10.00 H new ATOM 0 HE1 PHE A 48 -8.769 8.153 -2.206 1.00 10.00 H new ATOM 0 HE2 PHE A 48 -4.924 6.783 -0.980 1.00 10.00 H new ATOM 0 HZ PHE A 48 -6.597 7.127 -2.751 1.00 10.00 H new ATOM 355 N GLY A 49 -7.213 11.642 4.397 1.00 10.00 N ATOM 356 CA GLY A 49 -7.590 12.157 5.692 1.00 10.00 C ATOM 357 C GLY A 49 -9.063 12.498 5.784 1.00 10.00 C ATOM 358 O GLY A 49 -9.709 12.210 6.793 1.00 10.00 O ATOM 0 H GLY A 49 -6.602 12.253 3.855 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -7.344 11.420 6.456 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -7.001 13.049 5.908 1.00 10.00 H new ATOM 362 N SER A 50 -9.604 13.097 4.736 1.00 10.00 N ATOM 363 CA SER A 50 -11.006 13.483 4.718 1.00 10.00 C ATOM 364 C SER A 50 -11.883 12.392 4.095 1.00 10.00 C ATOM 365 O SER A 50 -13.080 12.595 3.877 1.00 10.00 O ATOM 366 CB SER A 50 -11.164 14.801 3.957 1.00 10.00 C ATOM 367 OG SER A 50 -10.300 15.797 4.487 1.00 10.00 O ATOM 0 H SER A 50 -9.092 13.327 3.884 1.00 10.00 H new ATOM 0 HA SER A 50 -11.339 13.617 5.747 1.00 10.00 H new ATOM 0 HB2 SER A 50 -10.942 14.645 2.901 1.00 10.00 H new ATOM 0 HB3 SER A 50 -12.198 15.140 4.019 1.00 10.00 H new ATOM 0 HG SER A 50 -10.416 16.631 3.985 1.00 10.00 H new ATOM 373 N ASP A 51 -11.295 11.230 3.825 1.00 10.00 N ATOM 374 CA ASP A 51 -12.046 10.127 3.229 1.00 10.00 C ATOM 375 C ASP A 51 -11.851 8.834 4.019 1.00 10.00 C ATOM 376 O ASP A 51 -10.934 8.057 3.744 1.00 10.00 O ATOM 377 CB ASP A 51 -11.631 9.910 1.770 1.00 10.00 C ATOM 378 CG ASP A 51 -12.624 9.054 1.005 1.00 10.00 C ATOM 379 OD1 ASP A 51 -12.752 7.847 1.309 1.00 10.00 O ATOM 380 OD2 ASP A 51 -13.285 9.582 0.085 1.00 10.00 O ATOM 0 H ASP A 51 -10.312 11.028 4.007 1.00 10.00 H new ATOM 0 HA ASP A 51 -13.102 10.397 3.261 1.00 10.00 H new ATOM 0 HB2 ASP A 51 -11.533 10.877 1.276 1.00 10.00 H new ATOM 0 HB3 ASP A 51 -10.650 9.436 1.741 1.00 10.00 H new ATOM 385 N PRO A 52 -12.700 8.594 5.029 1.00 10.00 N ATOM 386 CA PRO A 52 -12.614 7.386 5.850 1.00 10.00 C ATOM 387 C PRO A 52 -13.154 6.154 5.127 1.00 10.00 C ATOM 388 O PRO A 52 -12.868 5.020 5.509 1.00 10.00 O ATOM 389 CB PRO A 52 -13.478 7.727 7.063 1.00 10.00 C ATOM 390 CG PRO A 52 -14.465 8.727 6.575 1.00 10.00 C ATOM 391 CD PRO A 52 -13.795 9.487 5.463 1.00 10.00 C ATOM 0 HA PRO A 52 -11.585 7.131 6.103 1.00 10.00 H new ATOM 0 HB2 PRO A 52 -13.977 6.840 7.452 1.00 10.00 H new ATOM 0 HB3 PRO A 52 -12.874 8.134 7.874 1.00 10.00 H new ATOM 0 HG2 PRO A 52 -15.370 8.235 6.218 1.00 10.00 H new ATOM 0 HG3 PRO A 52 -14.764 9.400 7.379 1.00 10.00 H new ATOM 0 HD2 PRO A 52 -14.488 9.695 4.647 1.00 10.00 H new ATOM 0 HD3 PRO A 52 -13.413 10.447 5.809 1.00 10.00 H new ATOM 399 N ALA A 53 -13.929 6.385 4.071 1.00 10.00 N ATOM 400 CA ALA A 53 -14.512 5.301 3.294 1.00 10.00 C ATOM 401 C ALA A 53 -13.432 4.497 2.586 1.00 10.00 C ATOM 402 O ALA A 53 -13.343 3.279 2.751 1.00 10.00 O ATOM 403 CB ALA A 53 -15.504 5.852 2.281 1.00 10.00 C ATOM 0 H ALA A 53 -14.167 7.318 3.735 1.00 10.00 H new ATOM 0 HA ALA A 53 -15.038 4.637 3.980 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -15.932 5.030 1.707 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -16.300 6.383 2.803 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -14.992 6.538 1.606 1.00 10.00 H new ATOM 409 N THR A 54 -12.602 5.183 1.812 1.00 10.00 N ATOM 410 CA THR A 54 -11.535 4.526 1.077 1.00 10.00 C ATOM 411 C THR A 54 -10.456 4.002 2.026 1.00 10.00 C ATOM 412 O THR A 54 -9.775 3.018 1.732 1.00 10.00 O ATOM 413 CB THR A 54 -10.910 5.476 0.035 1.00 10.00 C ATOM 414 OG1 THR A 54 -11.939 6.265 -0.575 1.00 10.00 O ATOM 415 CG2 THR A 54 -10.166 4.704 -1.045 1.00 10.00 C ATOM 0 H THR A 54 -12.649 6.193 1.678 1.00 10.00 H new ATOM 0 HA THR A 54 -11.974 3.679 0.551 1.00 10.00 H new ATOM 0 HB THR A 54 -10.197 6.119 0.551 1.00 10.00 H new ATOM 0 HG1 THR A 54 -12.335 6.861 0.095 1.00 10.00 H new ATOM 0 HG21 THR A 54 -9.738 5.404 -1.763 1.00 10.00 H new ATOM 0 HG22 THR A 54 -9.368 4.118 -0.589 1.00 10.00 H new ATOM 0 HG23 THR A 54 -10.859 4.037 -1.558 1.00 10.00 H new ATOM 423 N TYR A 55 -10.316 4.649 3.175 1.00 10.00 N ATOM 424 CA TYR A 55 -9.329 4.237 4.161 1.00 10.00 C ATOM 425 C TYR A 55 -9.730 2.910 4.804 1.00 10.00 C ATOM 426 O TYR A 55 -8.894 2.028 5.007 1.00 10.00 O ATOM 427 CB TYR A 55 -9.164 5.306 5.242 1.00 10.00 C ATOM 428 CG TYR A 55 -8.021 5.016 6.201 1.00 10.00 C ATOM 429 CD1 TYR A 55 -6.701 5.209 5.810 1.00 10.00 C ATOM 430 CD2 TYR A 55 -8.258 4.531 7.484 1.00 10.00 C ATOM 431 CE1 TYR A 55 -5.651 4.934 6.665 1.00 10.00 C ATOM 432 CE2 TYR A 55 -7.210 4.259 8.348 1.00 10.00 C ATOM 433 CZ TYR A 55 -5.907 4.459 7.931 1.00 10.00 C ATOM 434 OH TYR A 55 -4.857 4.178 8.781 1.00 10.00 O ATOM 0 H TYR A 55 -10.873 5.460 3.446 1.00 10.00 H new ATOM 0 HA TYR A 55 -8.377 4.107 3.647 1.00 10.00 H new ATOM 0 HB2 TYR A 55 -8.994 6.272 4.766 1.00 10.00 H new ATOM 0 HB3 TYR A 55 -10.092 5.388 5.807 1.00 10.00 H new ATOM 0 HD1 TYR A 55 -6.492 5.581 4.818 1.00 10.00 H new ATOM 0 HD2 TYR A 55 -9.274 4.364 7.811 1.00 10.00 H new ATOM 0 HE1 TYR A 55 -4.633 5.091 6.341 1.00 10.00 H new ATOM 0 HE2 TYR A 55 -7.410 3.892 9.344 1.00 10.00 H new ATOM 0 HH TYR A 55 -5.207 3.853 9.637 1.00 10.00 H new ATOM 444 N ASN A 56 -11.018 2.773 5.116 1.00 10.00 N ATOM 445 CA ASN A 56 -11.529 1.548 5.724 1.00 10.00 C ATOM 446 C ASN A 56 -11.338 0.370 4.780 1.00 10.00 C ATOM 447 O ASN A 56 -10.926 -0.712 5.197 1.00 10.00 O ATOM 448 CB ASN A 56 -13.009 1.690 6.088 1.00 10.00 C ATOM 449 CG ASN A 56 -13.239 1.732 7.588 1.00 10.00 C ATOM 450 OD1 ASN A 56 -12.402 1.283 8.372 1.00 10.00 O ATOM 451 ND2 ASN A 56 -14.380 2.258 7.998 1.00 10.00 N ATOM 0 H ASN A 56 -11.723 3.493 4.958 1.00 10.00 H new ATOM 0 HA ASN A 56 -10.966 1.367 6.640 1.00 10.00 H new ATOM 0 HB2 ASN A 56 -13.405 2.600 5.638 1.00 10.00 H new ATOM 0 HB3 ASN A 56 -13.566 0.856 5.662 1.00 10.00 H new ATOM 0 HD21 ASN A 56 -14.592 2.302 8.995 1.00 10.00 H new ATOM 0 HD22 ASN A 56 -15.048 2.620 7.318 1.00 10.00 H new ATOM 458 N GLY A 57 -11.614 0.603 3.501 1.00 10.00 N ATOM 459 CA GLY A 57 -11.456 -0.438 2.502 1.00 10.00 C ATOM 460 C GLY A 57 -10.007 -0.883 2.377 1.00 10.00 C ATOM 461 O GLY A 57 -9.727 -2.051 2.127 1.00 10.00 O ATOM 0 H GLY A 57 -11.945 1.497 3.138 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -12.078 -1.293 2.766 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -11.809 -0.073 1.537 1.00 10.00 H new ATOM 465 N PHE A 58 -9.092 0.063 2.579 1.00 10.00 N ATOM 466 CA PHE A 58 -7.660 -0.205 2.513 1.00 10.00 C ATOM 467 C PHE A 58 -7.266 -1.213 3.588 1.00 10.00 C ATOM 468 O PHE A 58 -6.415 -2.081 3.367 1.00 10.00 O ATOM 469 CB PHE A 58 -6.894 1.108 2.711 1.00 10.00 C ATOM 470 CG PHE A 58 -5.392 0.974 2.658 1.00 10.00 C ATOM 471 CD1 PHE A 58 -4.643 0.931 3.824 1.00 10.00 C ATOM 472 CD2 PHE A 58 -4.731 0.905 1.441 1.00 10.00 C ATOM 473 CE1 PHE A 58 -3.265 0.822 3.777 1.00 10.00 C ATOM 474 CE2 PHE A 58 -3.353 0.794 1.386 1.00 10.00 C ATOM 475 CZ PHE A 58 -2.619 0.753 2.556 1.00 10.00 C ATOM 0 H PHE A 58 -9.323 1.033 2.792 1.00 10.00 H new ATOM 0 HA PHE A 58 -7.412 -0.626 1.539 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -7.210 1.816 1.945 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -7.174 1.535 3.674 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -5.142 0.983 4.781 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -5.300 0.938 0.523 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.694 0.791 4.693 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.852 0.740 0.431 1.00 10.00 H new ATOM 0 HZ PHE A 58 -1.543 0.667 2.517 1.00 10.00 H new ATOM 485 N LEU A 59 -7.905 -1.097 4.749 1.00 10.00 N ATOM 486 CA LEU A 59 -7.638 -1.988 5.877 1.00 10.00 C ATOM 487 C LEU A 59 -8.205 -3.383 5.616 1.00 10.00 C ATOM 488 O LEU A 59 -7.608 -4.391 6.000 1.00 10.00 O ATOM 489 CB LEU A 59 -8.228 -1.410 7.167 1.00 10.00 C ATOM 490 CG LEU A 59 -7.859 0.047 7.453 1.00 10.00 C ATOM 491 CD1 LEU A 59 -8.718 0.600 8.573 1.00 10.00 C ATOM 492 CD2 LEU A 59 -6.387 0.170 7.811 1.00 10.00 C ATOM 0 H LEU A 59 -8.616 -0.390 4.935 1.00 10.00 H new ATOM 0 HA LEU A 59 -6.557 -2.073 5.992 1.00 10.00 H new ATOM 0 HB2 LEU A 59 -9.314 -1.491 7.120 1.00 10.00 H new ATOM 0 HB3 LEU A 59 -7.899 -2.023 8.006 1.00 10.00 H new ATOM 0 HG LEU A 59 -8.043 0.628 6.550 1.00 10.00 H new ATOM 0 HD11 LEU A 59 -8.443 1.637 8.764 1.00 10.00 H new ATOM 0 HD12 LEU A 59 -9.768 0.550 8.285 1.00 10.00 H new ATOM 0 HD13 LEU A 59 -8.561 0.011 9.477 1.00 10.00 H new ATOM 0 HD21 LEU A 59 -6.147 1.214 8.010 1.00 10.00 H new ATOM 0 HD22 LEU A 59 -6.177 -0.426 8.699 1.00 10.00 H new ATOM 0 HD23 LEU A 59 -5.779 -0.190 6.981 1.00 10.00 H new ATOM 504 N GLU A 60 -9.355 -3.428 4.947 1.00 10.00 N ATOM 505 CA GLU A 60 -10.014 -4.689 4.616 1.00 10.00 C ATOM 506 C GLU A 60 -9.137 -5.544 3.708 1.00 10.00 C ATOM 507 O GLU A 60 -9.125 -6.771 3.817 1.00 10.00 O ATOM 508 CB GLU A 60 -11.354 -4.421 3.935 1.00 10.00 C ATOM 509 CG GLU A 60 -12.459 -4.022 4.898 1.00 10.00 C ATOM 510 CD GLU A 60 -12.909 -5.178 5.768 1.00 10.00 C ATOM 511 OE1 GLU A 60 -13.687 -6.024 5.279 1.00 10.00 O ATOM 512 OE2 GLU A 60 -12.483 -5.249 6.943 1.00 10.00 O ATOM 0 H GLU A 60 -9.853 -2.599 4.622 1.00 10.00 H new ATOM 0 HA GLU A 60 -10.183 -5.234 5.545 1.00 10.00 H new ATOM 0 HB2 GLU A 60 -11.224 -3.630 3.197 1.00 10.00 H new ATOM 0 HB3 GLU A 60 -11.662 -5.315 3.393 1.00 10.00 H new ATOM 0 HG2 GLU A 60 -12.109 -3.208 5.532 1.00 10.00 H new ATOM 0 HG3 GLU A 60 -13.310 -3.642 4.333 1.00 10.00 H new ATOM 519 N ILE A 61 -8.394 -4.887 2.826 1.00 10.00 N ATOM 520 CA ILE A 61 -7.509 -5.572 1.890 1.00 10.00 C ATOM 521 C ILE A 61 -6.366 -6.268 2.628 1.00 10.00 C ATOM 522 O ILE A 61 -5.927 -7.351 2.238 1.00 10.00 O ATOM 523 CB ILE A 61 -6.932 -4.579 0.857 1.00 10.00 C ATOM 524 CG1 ILE A 61 -8.074 -3.939 0.061 1.00 10.00 C ATOM 525 CG2 ILE A 61 -5.950 -5.275 -0.080 1.00 10.00 C ATOM 526 CD1 ILE A 61 -7.629 -2.840 -0.875 1.00 10.00 C ATOM 0 H ILE A 61 -8.387 -3.871 2.739 1.00 10.00 H new ATOM 0 HA ILE A 61 -8.099 -6.325 1.368 1.00 10.00 H new ATOM 0 HB ILE A 61 -6.388 -3.799 1.389 1.00 10.00 H new ATOM 0 HG12 ILE A 61 -8.578 -4.713 -0.517 1.00 10.00 H new ATOM 0 HG13 ILE A 61 -8.807 -3.534 0.759 1.00 10.00 H new ATOM 0 HG21 ILE A 61 -5.558 -4.554 -0.797 1.00 10.00 H new ATOM 0 HG22 ILE A 61 -5.127 -5.693 0.500 1.00 10.00 H new ATOM 0 HG23 ILE A 61 -6.462 -6.076 -0.613 1.00 10.00 H new ATOM 0 HD11 ILE A 61 -8.495 -2.438 -1.402 1.00 10.00 H new ATOM 0 HD12 ILE A 61 -7.151 -2.045 -0.302 1.00 10.00 H new ATOM 0 HD13 ILE A 61 -6.919 -3.243 -1.598 1.00 10.00 H new ATOM 538 N MET A 62 -5.909 -5.659 3.716 1.00 10.00 N ATOM 539 CA MET A 62 -4.817 -6.220 4.504 1.00 10.00 C ATOM 540 C MET A 62 -5.233 -7.546 5.124 1.00 10.00 C ATOM 541 O MET A 62 -4.420 -8.458 5.265 1.00 10.00 O ATOM 542 CB MET A 62 -4.389 -5.247 5.602 1.00 10.00 C ATOM 543 CG MET A 62 -3.828 -3.945 5.066 1.00 10.00 C ATOM 544 SD MET A 62 -2.968 -2.989 6.324 1.00 10.00 S ATOM 545 CE MET A 62 -1.585 -4.074 6.671 1.00 10.00 C ATOM 0 H MET A 62 -6.277 -4.777 4.073 1.00 10.00 H new ATOM 0 HA MET A 62 -3.972 -6.391 3.837 1.00 10.00 H new ATOM 0 HB2 MET A 62 -5.246 -5.030 6.239 1.00 10.00 H new ATOM 0 HB3 MET A 62 -3.638 -5.727 6.230 1.00 10.00 H new ATOM 0 HG2 MET A 62 -3.142 -4.160 4.247 1.00 10.00 H new ATOM 0 HG3 MET A 62 -4.640 -3.347 4.653 1.00 10.00 H new ATOM 0 HE1 MET A 62 -0.664 -3.492 6.697 1.00 10.00 H new ATOM 0 HE2 MET A 62 -1.736 -4.559 7.636 1.00 10.00 H new ATOM 0 HE3 MET A 62 -1.513 -4.832 5.891 1.00 10.00 H new ATOM 555 N LYS A 63 -6.509 -7.648 5.477 1.00 10.00 N ATOM 556 CA LYS A 63 -7.050 -8.862 6.075 1.00 10.00 C ATOM 557 C LYS A 63 -6.920 -10.034 5.117 1.00 10.00 C ATOM 558 O LYS A 63 -6.622 -11.154 5.532 1.00 10.00 O ATOM 559 CB LYS A 63 -8.518 -8.666 6.456 1.00 10.00 C ATOM 560 CG LYS A 63 -8.722 -7.787 7.674 1.00 10.00 C ATOM 561 CD LYS A 63 -10.190 -7.468 7.873 1.00 10.00 C ATOM 562 CE LYS A 63 -10.429 -6.697 9.160 1.00 10.00 C ATOM 563 NZ LYS A 63 -11.848 -6.286 9.299 1.00 10.00 N ATOM 0 H LYS A 63 -7.192 -6.899 5.358 1.00 10.00 H new ATOM 0 HA LYS A 63 -6.477 -9.078 6.977 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -9.048 -8.228 5.610 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -8.968 -9.641 6.643 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -8.332 -8.290 8.559 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -8.157 -6.862 7.558 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -10.553 -6.885 7.027 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -10.764 -8.394 7.892 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -10.144 -7.314 10.012 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -9.791 -5.814 9.179 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -11.904 -5.418 9.870 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -12.252 -6.108 8.357 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -12.385 -7.044 9.768 1.00 10.00 H new ATOM 577 N GLU A 64 -7.118 -9.764 3.835 1.00 10.00 N ATOM 578 CA GLU A 64 -7.016 -10.801 2.817 1.00 10.00 C ATOM 579 C GLU A 64 -5.590 -11.346 2.738 1.00 10.00 C ATOM 580 O GLU A 64 -5.385 -12.543 2.543 1.00 10.00 O ATOM 581 CB GLU A 64 -7.435 -10.265 1.448 1.00 10.00 C ATOM 582 CG GLU A 64 -8.698 -9.418 1.471 1.00 10.00 C ATOM 583 CD GLU A 64 -9.257 -9.171 0.081 1.00 10.00 C ATOM 584 OE1 GLU A 64 -10.444 -9.474 -0.147 1.00 10.00 O ATOM 585 OE2 GLU A 64 -8.516 -8.677 -0.796 1.00 10.00 O ATOM 0 H GLU A 64 -7.350 -8.838 3.475 1.00 10.00 H new ATOM 0 HA GLU A 64 -7.690 -11.609 3.101 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -6.619 -9.670 1.038 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -7.587 -11.106 0.772 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -9.453 -9.914 2.080 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -8.482 -8.462 1.948 1.00 10.00 H new ATOM 592 N PHE A 65 -4.605 -10.473 2.889 1.00 10.00 N ATOM 593 CA PHE A 65 -3.215 -10.902 2.829 1.00 10.00 C ATOM 594 C PHE A 65 -2.783 -11.556 4.140 1.00 10.00 C ATOM 595 O PHE A 65 -2.115 -12.589 4.132 1.00 10.00 O ATOM 596 CB PHE A 65 -2.292 -9.723 2.505 1.00 10.00 C ATOM 597 CG PHE A 65 -0.920 -10.151 2.061 1.00 10.00 C ATOM 598 CD1 PHE A 65 0.086 -10.379 2.986 1.00 10.00 C ATOM 599 CD2 PHE A 65 -0.643 -10.337 0.717 1.00 10.00 C ATOM 600 CE1 PHE A 65 1.341 -10.786 2.578 1.00 10.00 C ATOM 601 CE2 PHE A 65 0.612 -10.742 0.302 1.00 10.00 C ATOM 602 CZ PHE A 65 1.605 -10.968 1.235 1.00 10.00 C ATOM 0 H PHE A 65 -4.739 -9.475 3.052 1.00 10.00 H new ATOM 0 HA PHE A 65 -3.134 -11.640 2.031 1.00 10.00 H new ATOM 0 HB2 PHE A 65 -2.748 -9.117 1.722 1.00 10.00 H new ATOM 0 HB3 PHE A 65 -2.200 -9.088 3.386 1.00 10.00 H new ATOM 0 HD1 PHE A 65 -0.114 -10.237 4.038 1.00 10.00 H new ATOM 0 HD2 PHE A 65 -1.417 -10.164 -0.016 1.00 10.00 H new ATOM 0 HE1 PHE A 65 2.116 -10.962 3.309 1.00 10.00 H new ATOM 0 HE2 PHE A 65 0.815 -10.881 -0.749 1.00 10.00 H new ATOM 0 HZ PHE A 65 2.586 -11.286 0.915 1.00 10.00 H new ATOM 612 N LYS A 66 -3.187 -10.965 5.262 1.00 10.00 N ATOM 613 CA LYS A 66 -2.824 -11.481 6.578 1.00 10.00 C ATOM 614 C LYS A 66 -3.397 -12.871 6.814 1.00 10.00 C ATOM 615 O LYS A 66 -2.769 -13.703 7.474 1.00 10.00 O ATOM 616 CB LYS A 66 -3.298 -10.531 7.679 1.00 10.00 C ATOM 617 CG LYS A 66 -2.533 -9.216 7.719 1.00 10.00 C ATOM 618 CD LYS A 66 -3.077 -8.273 8.780 1.00 10.00 C ATOM 619 CE LYS A 66 -2.736 -8.754 10.179 1.00 10.00 C ATOM 620 NZ LYS A 66 -3.415 -7.945 11.220 1.00 10.00 N ATOM 0 H LYS A 66 -3.767 -10.126 5.285 1.00 10.00 H new ATOM 0 HA LYS A 66 -1.737 -11.552 6.609 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -4.358 -10.321 7.535 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -3.200 -11.028 8.644 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -1.480 -9.415 7.917 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -2.589 -8.734 6.743 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -2.666 -7.275 8.627 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -4.159 -8.191 8.676 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -3.026 -9.799 10.285 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -1.657 -8.706 10.327 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -3.157 -8.304 12.161 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -3.119 -6.952 11.135 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -4.445 -8.011 11.094 1.00 10.00 H new ATOM 634 N SER A 67 -4.584 -13.130 6.277 1.00 10.00 N ATOM 635 CA SER A 67 -5.224 -14.433 6.436 1.00 10.00 C ATOM 636 C SER A 67 -4.718 -15.427 5.389 1.00 10.00 C ATOM 637 O SER A 67 -5.214 -16.553 5.297 1.00 10.00 O ATOM 638 CB SER A 67 -6.742 -14.286 6.340 1.00 10.00 C ATOM 639 OG SER A 67 -7.197 -13.240 7.180 1.00 10.00 O ATOM 0 H SER A 67 -5.122 -12.458 5.729 1.00 10.00 H new ATOM 0 HA SER A 67 -4.966 -14.823 7.421 1.00 10.00 H new ATOM 0 HB2 SER A 67 -7.028 -14.081 5.308 1.00 10.00 H new ATOM 0 HB3 SER A 67 -7.222 -15.222 6.624 1.00 10.00 H new ATOM 0 HG SER A 67 -6.947 -12.376 6.791 1.00 10.00 H new ATOM 645 N GLN A 68 -3.729 -14.996 4.604 1.00 10.00 N ATOM 646 CA GLN A 68 -3.130 -15.830 3.562 1.00 10.00 C ATOM 647 C GLN A 68 -4.140 -16.189 2.475 1.00 10.00 C ATOM 648 O GLN A 68 -4.068 -17.266 1.876 1.00 10.00 O ATOM 649 CB GLN A 68 -2.532 -17.105 4.167 1.00 10.00 C ATOM 650 CG GLN A 68 -1.203 -16.881 4.860 1.00 10.00 C ATOM 651 CD GLN A 68 -0.694 -18.136 5.533 1.00 10.00 C ATOM 652 OE1 GLN A 68 -0.048 -18.976 4.900 1.00 10.00 O ATOM 653 NE2 GLN A 68 -0.986 -18.280 6.818 1.00 10.00 N ATOM 0 H GLN A 68 -3.323 -14.063 4.672 1.00 10.00 H new ATOM 0 HA GLN A 68 -2.333 -15.248 3.100 1.00 10.00 H new ATOM 0 HB2 GLN A 68 -3.239 -17.524 4.882 1.00 10.00 H new ATOM 0 HB3 GLN A 68 -2.401 -17.845 3.378 1.00 10.00 H new ATOM 0 HG2 GLN A 68 -0.468 -16.537 4.132 1.00 10.00 H new ATOM 0 HG3 GLN A 68 -1.310 -16.090 5.602 1.00 10.00 H new ATOM 0 HE21 GLN A 68 -1.523 -17.561 7.303 1.00 10.00 H new ATOM 0 HE22 GLN A 68 -0.674 -19.110 7.322 1.00 10.00 H new ATOM 662 N SER A 69 -5.076 -15.289 2.224 1.00 10.00 N ATOM 663 CA SER A 69 -6.087 -15.510 1.204 1.00 10.00 C ATOM 664 C SER A 69 -5.584 -15.031 -0.151 1.00 10.00 C ATOM 665 O SER A 69 -5.670 -15.746 -1.147 1.00 10.00 O ATOM 666 CB SER A 69 -7.379 -14.785 1.586 1.00 10.00 C ATOM 667 OG SER A 69 -7.589 -14.859 2.987 1.00 10.00 O ATOM 0 H SER A 69 -5.157 -14.398 2.713 1.00 10.00 H new ATOM 0 HA SER A 69 -6.293 -16.578 1.134 1.00 10.00 H new ATOM 0 HB2 SER A 69 -7.325 -13.742 1.274 1.00 10.00 H new ATOM 0 HB3 SER A 69 -8.223 -15.231 1.061 1.00 10.00 H new ATOM 0 HG SER A 69 -8.418 -14.390 3.219 1.00 10.00 H new ATOM 673 N ILE A 70 -5.044 -13.824 -0.187 1.00 10.00 N ATOM 674 CA ILE A 70 -4.516 -13.274 -1.425 1.00 10.00 C ATOM 675 C ILE A 70 -2.996 -13.318 -1.408 1.00 10.00 C ATOM 676 O ILE A 70 -2.373 -13.175 -0.349 1.00 10.00 O ATOM 677 CB ILE A 70 -4.981 -11.822 -1.687 1.00 10.00 C ATOM 678 CG1 ILE A 70 -4.531 -10.892 -0.556 1.00 10.00 C ATOM 679 CG2 ILE A 70 -6.488 -11.766 -1.861 1.00 10.00 C ATOM 680 CD1 ILE A 70 -4.781 -9.424 -0.839 1.00 10.00 C ATOM 0 H ILE A 70 -4.960 -13.209 0.622 1.00 10.00 H new ATOM 0 HA ILE A 70 -4.907 -13.893 -2.233 1.00 10.00 H new ATOM 0 HB ILE A 70 -4.517 -11.479 -2.611 1.00 10.00 H new ATOM 0 HG12 ILE A 70 -5.052 -11.170 0.360 1.00 10.00 H new ATOM 0 HG13 ILE A 70 -3.467 -11.042 -0.376 1.00 10.00 H new ATOM 0 HG21 ILE A 70 -6.795 -10.736 -2.044 1.00 10.00 H new ATOM 0 HG22 ILE A 70 -6.780 -12.388 -2.707 1.00 10.00 H new ATOM 0 HG23 ILE A 70 -6.973 -12.134 -0.956 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -4.437 -8.827 0.006 1.00 10.00 H new ATOM 0 HD12 ILE A 70 -4.238 -9.129 -1.737 1.00 10.00 H new ATOM 0 HD13 ILE A 70 -5.848 -9.259 -0.989 1.00 10.00 H new ATOM 692 N ASP A 71 -2.413 -13.524 -2.577 1.00 10.00 N ATOM 693 CA ASP A 71 -0.966 -13.597 -2.707 1.00 10.00 C ATOM 694 C ASP A 71 -0.421 -12.265 -3.206 1.00 10.00 C ATOM 695 O ASP A 71 -1.178 -11.304 -3.369 1.00 10.00 O ATOM 696 CB ASP A 71 -0.572 -14.720 -3.671 1.00 10.00 C ATOM 697 CG ASP A 71 0.698 -15.432 -3.247 1.00 10.00 C ATOM 698 OD1 ASP A 71 1.784 -14.820 -3.325 1.00 10.00 O ATOM 699 OD2 ASP A 71 0.615 -16.611 -2.846 1.00 10.00 O ATOM 0 H ASP A 71 -2.921 -13.644 -3.453 1.00 10.00 H new ATOM 0 HA ASP A 71 -0.538 -13.813 -1.728 1.00 10.00 H new ATOM 0 HB2 ASP A 71 -1.386 -15.442 -3.734 1.00 10.00 H new ATOM 0 HB3 ASP A 71 -0.436 -14.306 -4.670 1.00 10.00 H new ATOM 704 N THR A 72 0.880 -12.211 -3.460 1.00 10.00 N ATOM 705 CA THR A 72 1.522 -10.994 -3.937 1.00 10.00 C ATOM 706 C THR A 72 0.849 -10.458 -5.214 1.00 10.00 C ATOM 707 O THR A 72 0.439 -9.296 -5.248 1.00 10.00 O ATOM 708 CB THR A 72 3.024 -11.225 -4.187 1.00 10.00 C ATOM 709 OG1 THR A 72 3.522 -12.196 -3.257 1.00 10.00 O ATOM 710 CG2 THR A 72 3.812 -9.930 -4.044 1.00 10.00 C ATOM 0 H THR A 72 1.514 -13.001 -3.343 1.00 10.00 H new ATOM 0 HA THR A 72 1.407 -10.243 -3.155 1.00 10.00 H new ATOM 0 HB THR A 72 3.148 -11.589 -5.207 1.00 10.00 H new ATOM 0 HG1 THR A 72 3.475 -13.088 -3.659 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.869 -10.125 -4.226 1.00 10.00 H new ATOM 0 HG22 THR A 72 3.448 -9.201 -4.767 1.00 10.00 H new ATOM 0 HG23 THR A 72 3.684 -9.536 -3.036 1.00 10.00 H new ATOM 718 N PRO A 73 0.708 -11.284 -6.283 1.00 10.00 N ATOM 719 CA PRO A 73 0.053 -10.843 -7.522 1.00 10.00 C ATOM 720 C PRO A 73 -1.418 -10.486 -7.306 1.00 10.00 C ATOM 721 O PRO A 73 -1.993 -9.693 -8.050 1.00 10.00 O ATOM 722 CB PRO A 73 0.176 -12.057 -8.454 1.00 10.00 C ATOM 723 CG PRO A 73 0.424 -13.215 -7.558 1.00 10.00 C ATOM 724 CD PRO A 73 1.199 -12.674 -6.396 1.00 10.00 C ATOM 0 HA PRO A 73 0.513 -9.939 -7.920 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -0.734 -12.199 -9.037 1.00 10.00 H new ATOM 0 HB3 PRO A 73 0.993 -11.927 -9.164 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -0.514 -13.662 -7.228 1.00 10.00 H new ATOM 0 HG3 PRO A 73 0.985 -13.995 -8.073 1.00 10.00 H new ATOM 0 HD2 PRO A 73 1.011 -13.243 -5.486 1.00 10.00 H new ATOM 0 HD3 PRO A 73 2.273 -12.709 -6.577 1.00 10.00 H new ATOM 732 N GLY A 74 -2.018 -11.067 -6.273 1.00 10.00 N ATOM 733 CA GLY A 74 -3.414 -10.813 -5.981 1.00 10.00 C ATOM 734 C GLY A 74 -3.637 -9.469 -5.318 1.00 10.00 C ATOM 735 O GLY A 74 -4.609 -8.773 -5.620 1.00 10.00 O ATOM 0 H GLY A 74 -1.559 -11.712 -5.630 1.00 10.00 H new ATOM 0 HA2 GLY A 74 -3.988 -10.857 -6.906 1.00 10.00 H new ATOM 0 HA3 GLY A 74 -3.795 -11.602 -5.332 1.00 10.00 H new ATOM 739 N VAL A 75 -2.739 -9.094 -4.416 1.00 10.00 N ATOM 740 CA VAL A 75 -2.860 -7.826 -3.712 1.00 10.00 C ATOM 741 C VAL A 75 -2.633 -6.644 -4.661 1.00 10.00 C ATOM 742 O VAL A 75 -3.220 -5.576 -4.481 1.00 10.00 O ATOM 743 CB VAL A 75 -1.903 -7.744 -2.491 1.00 10.00 C ATOM 744 CG1 VAL A 75 -0.466 -7.479 -2.919 1.00 10.00 C ATOM 745 CG2 VAL A 75 -2.379 -6.678 -1.508 1.00 10.00 C ATOM 0 H VAL A 75 -1.923 -9.648 -4.156 1.00 10.00 H new ATOM 0 HA VAL A 75 -3.880 -7.769 -3.331 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.922 -8.713 -1.991 1.00 10.00 H new ATOM 0 HG11 VAL A 75 0.173 -7.428 -2.037 1.00 10.00 H new ATOM 0 HG12 VAL A 75 -0.125 -8.285 -3.568 1.00 10.00 H new ATOM 0 HG13 VAL A 75 -0.416 -6.533 -3.458 1.00 10.00 H new ATOM 0 HG21 VAL A 75 -1.696 -6.635 -0.659 1.00 10.00 H new ATOM 0 HG22 VAL A 75 -2.401 -5.708 -2.005 1.00 10.00 H new ATOM 0 HG23 VAL A 75 -3.380 -6.928 -1.156 1.00 10.00 H new ATOM 755 N ILE A 76 -1.812 -6.854 -5.692 1.00 10.00 N ATOM 756 CA ILE A 76 -1.526 -5.804 -6.668 1.00 10.00 C ATOM 757 C ILE A 76 -2.818 -5.355 -7.348 1.00 10.00 C ATOM 758 O ILE A 76 -3.043 -4.158 -7.556 1.00 10.00 O ATOM 759 CB ILE A 76 -0.518 -6.271 -7.744 1.00 10.00 C ATOM 760 CG1 ILE A 76 0.786 -6.713 -7.082 1.00 10.00 C ATOM 761 CG2 ILE A 76 -0.254 -5.159 -8.752 1.00 10.00 C ATOM 762 CD1 ILE A 76 1.815 -7.246 -8.054 1.00 10.00 C ATOM 0 H ILE A 76 -1.336 -7.738 -5.871 1.00 10.00 H new ATOM 0 HA ILE A 76 -1.079 -4.971 -6.125 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.946 -7.119 -8.278 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.213 -5.868 -6.543 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.565 -7.483 -6.343 1.00 10.00 H new ATOM 0 HG21 ILE A 76 0.458 -5.508 -9.500 1.00 10.00 H new ATOM 0 HG22 ILE A 76 -1.188 -4.882 -9.241 1.00 10.00 H new ATOM 0 HG23 ILE A 76 0.157 -4.291 -8.237 1.00 10.00 H new ATOM 0 HD11 ILE A 76 2.712 -7.539 -7.509 1.00 10.00 H new ATOM 0 HD12 ILE A 76 1.408 -8.112 -8.576 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.067 -6.471 -8.778 1.00 10.00 H new ATOM 774 N ARG A 77 -3.668 -6.326 -7.673 1.00 10.00 N ATOM 775 CA ARG A 77 -4.949 -6.052 -8.308 1.00 10.00 C ATOM 776 C ARG A 77 -5.813 -5.201 -7.379 1.00 10.00 C ATOM 777 O ARG A 77 -6.483 -4.267 -7.816 1.00 10.00 O ATOM 778 CB ARG A 77 -5.661 -7.369 -8.656 1.00 10.00 C ATOM 779 CG ARG A 77 -7.030 -7.172 -9.286 1.00 10.00 C ATOM 780 CD ARG A 77 -7.671 -8.497 -9.657 1.00 10.00 C ATOM 781 NE ARG A 77 -7.893 -9.352 -8.488 1.00 10.00 N ATOM 782 CZ ARG A 77 -8.414 -10.579 -8.557 1.00 10.00 C ATOM 783 NH1 ARG A 77 -8.761 -11.096 -9.730 1.00 10.00 N ATOM 784 NH2 ARG A 77 -8.570 -11.295 -7.449 1.00 10.00 N ATOM 0 H ARG A 77 -3.488 -7.316 -7.504 1.00 10.00 H new ATOM 0 HA ARG A 77 -4.781 -5.500 -9.233 1.00 10.00 H new ATOM 0 HB2 ARG A 77 -5.034 -7.941 -9.340 1.00 10.00 H new ATOM 0 HB3 ARG A 77 -5.770 -7.964 -7.749 1.00 10.00 H new ATOM 0 HG2 ARG A 77 -7.677 -6.636 -8.591 1.00 10.00 H new ATOM 0 HG3 ARG A 77 -6.935 -6.551 -10.177 1.00 10.00 H new ATOM 0 HD2 ARG A 77 -8.623 -8.311 -10.155 1.00 10.00 H new ATOM 0 HD3 ARG A 77 -7.034 -9.019 -10.371 1.00 10.00 H new ATOM 0 HE ARG A 77 -7.635 -8.989 -7.570 1.00 10.00 H new ATOM 0 HH11 ARG A 77 -8.630 -10.555 -10.585 1.00 10.00 H new ATOM 0 HH12 ARG A 77 -9.159 -12.034 -9.776 1.00 10.00 H new ATOM 0 HH21 ARG A 77 -8.292 -10.907 -6.548 1.00 10.00 H new ATOM 0 HH22 ARG A 77 -8.968 -12.233 -7.500 1.00 10.00 H new ATOM 798 N ARG A 78 -5.761 -5.519 -6.090 1.00 10.00 N ATOM 799 CA ARG A 78 -6.526 -4.793 -5.084 1.00 10.00 C ATOM 800 C ARG A 78 -6.077 -3.340 -5.010 1.00 10.00 C ATOM 801 O ARG A 78 -6.899 -2.428 -4.976 1.00 10.00 O ATOM 802 CB ARG A 78 -6.360 -5.450 -3.714 1.00 10.00 C ATOM 803 CG ARG A 78 -7.419 -6.490 -3.401 1.00 10.00 C ATOM 804 CD ARG A 78 -8.779 -5.858 -3.132 1.00 10.00 C ATOM 805 NE ARG A 78 -9.638 -6.738 -2.349 1.00 10.00 N ATOM 806 CZ ARG A 78 -10.951 -6.571 -2.214 1.00 10.00 C ATOM 807 NH1 ARG A 78 -11.560 -5.547 -2.810 1.00 10.00 N ATOM 808 NH2 ARG A 78 -11.658 -7.421 -1.488 1.00 10.00 N ATOM 0 H ARG A 78 -5.193 -6.280 -5.716 1.00 10.00 H new ATOM 0 HA ARG A 78 -7.577 -4.823 -5.372 1.00 10.00 H new ATOM 0 HB2 ARG A 78 -5.377 -5.919 -3.663 1.00 10.00 H new ATOM 0 HB3 ARG A 78 -6.385 -4.677 -2.946 1.00 10.00 H new ATOM 0 HG2 ARG A 78 -7.502 -7.186 -4.236 1.00 10.00 H new ATOM 0 HG3 ARG A 78 -7.111 -7.071 -2.532 1.00 10.00 H new ATOM 0 HD2 ARG A 78 -8.644 -4.916 -2.601 1.00 10.00 H new ATOM 0 HD3 ARG A 78 -9.265 -5.624 -4.079 1.00 10.00 H new ATOM 0 HE ARG A 78 -9.205 -7.531 -1.875 1.00 10.00 H new ATOM 0 HH11 ARG A 78 -11.020 -4.889 -3.371 1.00 10.00 H new ATOM 0 HH12 ARG A 78 -12.567 -5.421 -2.705 1.00 10.00 H new ATOM 0 HH21 ARG A 78 -11.197 -8.207 -1.030 1.00 10.00 H new ATOM 0 HH22 ARG A 78 -12.664 -7.290 -1.386 1.00 10.00 H new ATOM 822 N VAL A 79 -4.763 -3.141 -5.007 1.00 10.00 N ATOM 823 CA VAL A 79 -4.181 -1.803 -4.939 1.00 10.00 C ATOM 824 C VAL A 79 -4.589 -0.971 -6.151 1.00 10.00 C ATOM 825 O VAL A 79 -5.022 0.172 -6.014 1.00 10.00 O ATOM 826 CB VAL A 79 -2.637 -1.859 -4.866 1.00 10.00 C ATOM 827 CG1 VAL A 79 -2.045 -0.460 -4.719 1.00 10.00 C ATOM 828 CG2 VAL A 79 -2.183 -2.750 -3.720 1.00 10.00 C ATOM 0 H VAL A 79 -4.076 -3.894 -5.051 1.00 10.00 H new ATOM 0 HA VAL A 79 -4.562 -1.337 -4.030 1.00 10.00 H new ATOM 0 HB VAL A 79 -2.274 -2.286 -5.801 1.00 10.00 H new ATOM 0 HG11 VAL A 79 -0.958 -0.528 -4.670 1.00 10.00 H new ATOM 0 HG12 VAL A 79 -2.332 0.149 -5.577 1.00 10.00 H new ATOM 0 HG13 VAL A 79 -2.421 0.000 -3.805 1.00 10.00 H new ATOM 0 HG21 VAL A 79 -1.094 -2.775 -3.688 1.00 10.00 H new ATOM 0 HG22 VAL A 79 -2.565 -2.355 -2.779 1.00 10.00 H new ATOM 0 HG23 VAL A 79 -2.564 -3.760 -3.871 1.00 10.00 H new ATOM 838 N SER A 80 -4.484 -1.574 -7.331 1.00 10.00 N ATOM 839 CA SER A 80 -4.825 -0.901 -8.583 1.00 10.00 C ATOM 840 C SER A 80 -6.318 -0.576 -8.661 1.00 10.00 C ATOM 841 O SER A 80 -6.725 0.340 -9.371 1.00 10.00 O ATOM 842 CB SER A 80 -4.401 -1.769 -9.773 1.00 10.00 C ATOM 843 OG SER A 80 -3.067 -2.235 -9.618 1.00 10.00 O ATOM 0 H SER A 80 -4.163 -2.535 -7.448 1.00 10.00 H new ATOM 0 HA SER A 80 -4.284 0.045 -8.617 1.00 10.00 H new ATOM 0 HB2 SER A 80 -5.078 -2.619 -9.867 1.00 10.00 H new ATOM 0 HB3 SER A 80 -4.483 -1.193 -10.695 1.00 10.00 H new ATOM 0 HG SER A 80 -3.053 -2.982 -8.984 1.00 10.00 H new ATOM 849 N GLN A 81 -7.129 -1.326 -7.928 1.00 10.00 N ATOM 850 CA GLN A 81 -8.569 -1.106 -7.911 1.00 10.00 C ATOM 851 C GLN A 81 -8.952 -0.074 -6.857 1.00 10.00 C ATOM 852 O GLN A 81 -9.991 0.573 -6.960 1.00 10.00 O ATOM 853 CB GLN A 81 -9.296 -2.422 -7.639 1.00 10.00 C ATOM 854 CG GLN A 81 -9.367 -3.338 -8.843 1.00 10.00 C ATOM 855 CD GLN A 81 -10.561 -3.042 -9.722 1.00 10.00 C ATOM 856 OE1 GLN A 81 -11.639 -3.603 -9.521 1.00 10.00 O ATOM 857 NE2 GLN A 81 -10.382 -2.167 -10.699 1.00 10.00 N ATOM 0 H GLN A 81 -6.814 -2.094 -7.336 1.00 10.00 H new ATOM 0 HA GLN A 81 -8.867 -0.724 -8.888 1.00 10.00 H new ATOM 0 HB2 GLN A 81 -8.792 -2.944 -6.826 1.00 10.00 H new ATOM 0 HB3 GLN A 81 -10.308 -2.204 -7.299 1.00 10.00 H new ATOM 0 HG2 GLN A 81 -8.454 -3.235 -9.429 1.00 10.00 H new ATOM 0 HG3 GLN A 81 -9.415 -4.374 -8.506 1.00 10.00 H new ATOM 0 HE21 GLN A 81 -9.471 -1.726 -10.829 1.00 10.00 H new ATOM 0 HE22 GLN A 81 -11.155 -1.933 -11.322 1.00 10.00 H new ATOM 866 N LEU A 82 -8.112 0.071 -5.844 1.00 10.00 N ATOM 867 CA LEU A 82 -8.366 1.024 -4.775 1.00 10.00 C ATOM 868 C LEU A 82 -7.841 2.400 -5.155 1.00 10.00 C ATOM 869 O LEU A 82 -8.528 3.408 -4.996 1.00 10.00 O ATOM 870 CB LEU A 82 -7.704 0.554 -3.482 1.00 10.00 C ATOM 871 CG LEU A 82 -8.113 1.320 -2.221 1.00 10.00 C ATOM 872 CD1 LEU A 82 -9.489 0.878 -1.746 1.00 10.00 C ATOM 873 CD2 LEU A 82 -7.082 1.121 -1.119 1.00 10.00 C ATOM 0 H LEU A 82 -7.247 -0.460 -5.740 1.00 10.00 H new ATOM 0 HA LEU A 82 -9.443 1.090 -4.619 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -7.936 -0.501 -3.337 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -6.623 0.630 -3.598 1.00 10.00 H new ATOM 0 HG LEU A 82 -8.159 2.381 -2.466 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -9.760 1.435 -0.849 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -10.223 1.070 -2.528 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -9.471 -0.188 -1.520 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -7.389 1.672 -0.230 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -7.005 0.060 -0.880 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -6.113 1.488 -1.457 1.00 10.00 H new ATOM 885 N PHE A 83 -6.629 2.431 -5.682 1.00 10.00 N ATOM 886 CA PHE A 83 -6.002 3.682 -6.078 1.00 10.00 C ATOM 887 C PHE A 83 -6.040 3.849 -7.592 1.00 10.00 C ATOM 888 O PHE A 83 -5.056 4.262 -8.209 1.00 10.00 O ATOM 889 CB PHE A 83 -4.555 3.729 -5.581 1.00 10.00 C ATOM 890 CG PHE A 83 -4.415 3.569 -4.098 1.00 10.00 C ATOM 891 CD1 PHE A 83 -5.153 4.354 -3.230 1.00 10.00 C ATOM 892 CD2 PHE A 83 -3.534 2.639 -3.573 1.00 10.00 C ATOM 893 CE1 PHE A 83 -5.020 4.212 -1.866 1.00 10.00 C ATOM 894 CE2 PHE A 83 -3.395 2.492 -2.206 1.00 10.00 C ATOM 895 CZ PHE A 83 -4.138 3.280 -1.352 1.00 10.00 C ATOM 0 H PHE A 83 -6.058 1.602 -5.846 1.00 10.00 H new ATOM 0 HA PHE A 83 -6.560 4.502 -5.626 1.00 10.00 H new ATOM 0 HB2 PHE A 83 -3.986 2.942 -6.076 1.00 10.00 H new ATOM 0 HB3 PHE A 83 -4.110 4.679 -5.877 1.00 10.00 H new ATOM 0 HD1 PHE A 83 -5.841 5.086 -3.626 1.00 10.00 H new ATOM 0 HD2 PHE A 83 -2.949 2.022 -4.239 1.00 10.00 H new ATOM 0 HE1 PHE A 83 -5.604 4.828 -1.199 1.00 10.00 H new ATOM 0 HE2 PHE A 83 -2.706 1.762 -1.807 1.00 10.00 H new ATOM 0 HZ PHE A 83 -4.031 3.169 -0.283 1.00 10.00 H new ATOM 905 N HIS A 84 -7.188 3.540 -8.183 1.00 10.00 N ATOM 906 CA HIS A 84 -7.377 3.651 -9.633 1.00 10.00 C ATOM 907 C HIS A 84 -7.251 5.103 -10.106 1.00 10.00 C ATOM 908 O HIS A 84 -7.008 5.361 -11.286 1.00 10.00 O ATOM 909 CB HIS A 84 -8.746 3.081 -10.033 1.00 10.00 C ATOM 910 CG HIS A 84 -9.910 3.735 -9.354 1.00 10.00 C ATOM 911 ND1 HIS A 84 -10.391 3.544 -8.104 1.00 10.00 N flip ATOM 912 CD2 HIS A 84 -10.675 4.680 -9.993 1.00 10.00 C flip ATOM 913 CE1 HIS A 84 -11.466 4.381 -7.967 1.00 10.00 C flip ATOM 914 NE2 HIS A 84 -11.601 5.041 -9.124 1.00 10.00 N flip ATOM 0 H HIS A 84 -8.011 3.208 -7.680 1.00 10.00 H new ATOM 0 HA HIS A 84 -6.591 3.072 -10.118 1.00 10.00 H new ATOM 0 HB2 HIS A 84 -8.867 3.181 -11.112 1.00 10.00 H new ATOM 0 HB3 HIS A 84 -8.762 2.015 -9.808 1.00 10.00 H new ATOM 0 HD1 HIS A 84 -10.025 2.902 -7.401 1.00 10.00 H new ATOM 0 HD2 HIS A 84 -10.546 5.051 -10.999 1.00 10.00 H new ATOM 0 HE1 HIS A 84 -12.088 4.489 -7.091 1.00 10.00 H new ATOM 922 N GLU A 85 -7.413 6.038 -9.183 1.00 10.00 N ATOM 923 CA GLU A 85 -7.314 7.460 -9.495 1.00 10.00 C ATOM 924 C GLU A 85 -5.956 8.012 -9.064 1.00 10.00 C ATOM 925 O GLU A 85 -5.667 9.196 -9.244 1.00 10.00 O ATOM 926 CB GLU A 85 -8.429 8.228 -8.788 1.00 10.00 C ATOM 927 CG GLU A 85 -9.434 8.867 -9.733 1.00 10.00 C ATOM 928 CD GLU A 85 -8.869 10.075 -10.454 1.00 10.00 C ATOM 929 OE1 GLU A 85 -8.545 9.966 -11.655 1.00 10.00 O ATOM 930 OE2 GLU A 85 -8.750 11.144 -9.821 1.00 10.00 O ATOM 0 H GLU A 85 -7.615 5.838 -8.203 1.00 10.00 H new ATOM 0 HA GLU A 85 -7.416 7.584 -10.573 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -8.956 7.549 -8.118 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -7.984 9.006 -8.167 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -9.758 8.129 -10.467 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -10.318 9.165 -9.170 1.00 10.00 H new ATOM 937 N HIS A 86 -5.124 7.147 -8.496 1.00 10.00 N ATOM 938 CA HIS A 86 -3.800 7.543 -8.022 1.00 10.00 C ATOM 939 C HIS A 86 -2.757 6.512 -8.448 1.00 10.00 C ATOM 940 O HIS A 86 -2.310 5.696 -7.634 1.00 10.00 O ATOM 941 CB HIS A 86 -3.778 7.682 -6.491 1.00 10.00 C ATOM 942 CG HIS A 86 -5.064 8.163 -5.879 1.00 10.00 C ATOM 943 ND1 HIS A 86 -6.118 7.302 -5.653 1.00 10.00 N ATOM 944 CD2 HIS A 86 -5.420 9.412 -5.487 1.00 10.00 C ATOM 945 CE1 HIS A 86 -7.082 8.039 -5.133 1.00 10.00 C ATOM 946 NE2 HIS A 86 -6.705 9.322 -5.012 1.00 10.00 N ATOM 0 H HIS A 86 -5.343 6.161 -8.351 1.00 10.00 H new ATOM 0 HA HIS A 86 -3.564 8.510 -8.466 1.00 10.00 H new ATOM 0 HB2 HIS A 86 -3.526 6.715 -6.057 1.00 10.00 H new ATOM 0 HB3 HIS A 86 -2.981 8.373 -6.215 1.00 10.00 H new ATOM 0 HD2 HIS A 86 -4.812 10.303 -5.539 1.00 10.00 H new ATOM 0 HE1 HIS A 86 -8.050 7.659 -4.842 1.00 10.00 H new ATOM 0 HE2 HIS A 86 -7.267 10.086 -4.638 1.00 10.00 H new ATOM 954 N PRO A 87 -2.344 6.533 -9.725 1.00 10.00 N ATOM 955 CA PRO A 87 -1.361 5.581 -10.245 1.00 10.00 C ATOM 956 C PRO A 87 -0.018 5.676 -9.531 1.00 10.00 C ATOM 957 O PRO A 87 0.703 4.683 -9.414 1.00 10.00 O ATOM 958 CB PRO A 87 -1.215 5.972 -11.716 1.00 10.00 C ATOM 959 CG PRO A 87 -1.752 7.357 -11.821 1.00 10.00 C ATOM 960 CD PRO A 87 -2.801 7.479 -10.758 1.00 10.00 C ATOM 0 HA PRO A 87 -1.686 4.551 -10.098 1.00 10.00 H new ATOM 0 HB2 PRO A 87 -0.172 5.932 -12.030 1.00 10.00 H new ATOM 0 HB3 PRO A 87 -1.768 5.288 -12.360 1.00 10.00 H new ATOM 0 HG2 PRO A 87 -0.962 8.093 -11.675 1.00 10.00 H new ATOM 0 HG3 PRO A 87 -2.176 7.537 -12.809 1.00 10.00 H new ATOM 0 HD2 PRO A 87 -2.867 8.496 -10.372 1.00 10.00 H new ATOM 0 HD3 PRO A 87 -3.789 7.217 -11.135 1.00 10.00 H new ATOM 968 N ASP A 88 0.302 6.873 -9.040 1.00 10.00 N ATOM 969 CA ASP A 88 1.563 7.110 -8.342 1.00 10.00 C ATOM 970 C ASP A 88 1.641 6.272 -7.075 1.00 10.00 C ATOM 971 O ASP A 88 2.704 5.755 -6.729 1.00 10.00 O ATOM 972 CB ASP A 88 1.726 8.587 -7.977 1.00 10.00 C ATOM 973 CG ASP A 88 1.593 9.507 -9.168 1.00 10.00 C ATOM 974 OD1 ASP A 88 2.595 9.715 -9.886 1.00 10.00 O ATOM 975 OD2 ASP A 88 0.483 10.029 -9.392 1.00 10.00 O ATOM 0 H ASP A 88 -0.297 7.695 -9.114 1.00 10.00 H new ATOM 0 HA ASP A 88 2.368 6.823 -9.019 1.00 10.00 H new ATOM 0 HB2 ASP A 88 0.978 8.856 -7.231 1.00 10.00 H new ATOM 0 HB3 ASP A 88 2.703 8.736 -7.517 1.00 10.00 H new ATOM 980 N LEU A 89 0.506 6.129 -6.396 1.00 10.00 N ATOM 981 CA LEU A 89 0.448 5.354 -5.161 1.00 10.00 C ATOM 982 C LEU A 89 0.714 3.883 -5.441 1.00 10.00 C ATOM 983 O LEU A 89 1.431 3.215 -4.691 1.00 10.00 O ATOM 984 CB LEU A 89 -0.908 5.523 -4.473 1.00 10.00 C ATOM 985 CG LEU A 89 -1.218 6.942 -3.987 1.00 10.00 C ATOM 986 CD1 LEU A 89 -2.510 6.957 -3.187 1.00 10.00 C ATOM 987 CD2 LEU A 89 -0.070 7.488 -3.152 1.00 10.00 C ATOM 0 H LEU A 89 -0.384 6.539 -6.680 1.00 10.00 H new ATOM 0 HA LEU A 89 1.222 5.729 -4.492 1.00 10.00 H new ATOM 0 HB2 LEU A 89 -1.691 5.214 -5.166 1.00 10.00 H new ATOM 0 HB3 LEU A 89 -0.952 4.846 -3.620 1.00 10.00 H new ATOM 0 HG LEU A 89 -1.341 7.584 -4.859 1.00 10.00 H new ATOM 0 HD11 LEU A 89 -2.717 7.972 -2.849 1.00 10.00 H new ATOM 0 HD12 LEU A 89 -3.331 6.610 -3.815 1.00 10.00 H new ATOM 0 HD13 LEU A 89 -2.411 6.300 -2.323 1.00 10.00 H new ATOM 0 HD21 LEU A 89 -0.311 8.497 -2.817 1.00 10.00 H new ATOM 0 HD22 LEU A 89 0.087 6.846 -2.285 1.00 10.00 H new ATOM 0 HD23 LEU A 89 0.838 7.513 -3.754 1.00 10.00 H new ATOM 999 N ILE A 90 0.141 3.384 -6.531 1.00 10.00 N ATOM 1000 CA ILE A 90 0.327 1.992 -6.929 1.00 10.00 C ATOM 1001 C ILE A 90 1.784 1.750 -7.315 1.00 10.00 C ATOM 1002 O ILE A 90 2.402 0.773 -6.885 1.00 10.00 O ATOM 1003 CB ILE A 90 -0.587 1.612 -8.118 1.00 10.00 C ATOM 1004 CG1 ILE A 90 -2.007 2.126 -7.883 1.00 10.00 C ATOM 1005 CG2 ILE A 90 -0.598 0.104 -8.315 1.00 10.00 C ATOM 1006 CD1 ILE A 90 -2.889 2.052 -9.114 1.00 10.00 C ATOM 0 H ILE A 90 -0.458 3.924 -7.156 1.00 10.00 H new ATOM 0 HA ILE A 90 0.058 1.367 -6.077 1.00 10.00 H new ATOM 0 HB ILE A 90 -0.193 2.079 -9.021 1.00 10.00 H new ATOM 0 HG12 ILE A 90 -2.466 1.547 -7.082 1.00 10.00 H new ATOM 0 HG13 ILE A 90 -1.959 3.160 -7.542 1.00 10.00 H new ATOM 0 HG21 ILE A 90 -1.245 -0.149 -9.155 1.00 10.00 H new ATOM 0 HG22 ILE A 90 0.415 -0.244 -8.520 1.00 10.00 H new ATOM 0 HG23 ILE A 90 -0.971 -0.378 -7.412 1.00 10.00 H new ATOM 0 HD11 ILE A 90 -3.882 2.433 -8.874 1.00 10.00 H new ATOM 0 HD12 ILE A 90 -2.452 2.654 -9.911 1.00 10.00 H new ATOM 0 HD13 ILE A 90 -2.968 1.016 -9.443 1.00 10.00 H new ATOM 1018 N VAL A 91 2.327 2.664 -8.113 1.00 10.00 N ATOM 1019 CA VAL A 91 3.710 2.577 -8.561 1.00 10.00 C ATOM 1020 C VAL A 91 4.661 2.647 -7.368 1.00 10.00 C ATOM 1021 O VAL A 91 5.621 1.874 -7.273 1.00 10.00 O ATOM 1022 CB VAL A 91 4.040 3.705 -9.565 1.00 10.00 C ATOM 1023 CG1 VAL A 91 5.525 3.740 -9.887 1.00 10.00 C ATOM 1024 CG2 VAL A 91 3.230 3.534 -10.839 1.00 10.00 C ATOM 0 H VAL A 91 1.824 3.479 -8.464 1.00 10.00 H new ATOM 0 HA VAL A 91 3.840 1.619 -9.065 1.00 10.00 H new ATOM 0 HB VAL A 91 3.773 4.654 -9.101 1.00 10.00 H new ATOM 0 HG11 VAL A 91 5.725 4.544 -10.596 1.00 10.00 H new ATOM 0 HG12 VAL A 91 6.092 3.913 -8.972 1.00 10.00 H new ATOM 0 HG13 VAL A 91 5.825 2.788 -10.325 1.00 10.00 H new ATOM 0 HG21 VAL A 91 3.474 4.336 -11.536 1.00 10.00 H new ATOM 0 HG22 VAL A 91 3.467 2.573 -11.295 1.00 10.00 H new ATOM 0 HG23 VAL A 91 2.167 3.570 -10.602 1.00 10.00 H new ATOM 1034 N GLY A 92 4.374 3.570 -6.456 1.00 10.00 N ATOM 1035 CA GLY A 92 5.193 3.733 -5.272 1.00 10.00 C ATOM 1036 C GLY A 92 5.200 2.492 -4.405 1.00 10.00 C ATOM 1037 O GLY A 92 6.241 2.105 -3.883 1.00 10.00 O ATOM 0 H GLY A 92 3.583 4.211 -6.518 1.00 10.00 H new ATOM 0 HA2 GLY A 92 6.214 3.972 -5.569 1.00 10.00 H new ATOM 0 HA3 GLY A 92 4.824 4.578 -4.691 1.00 10.00 H new ATOM 1041 N PHE A 93 4.038 1.861 -4.263 1.00 10.00 N ATOM 1042 CA PHE A 93 3.922 0.654 -3.454 1.00 10.00 C ATOM 1043 C PHE A 93 4.709 -0.492 -4.079 1.00 10.00 C ATOM 1044 O PHE A 93 5.427 -1.213 -3.386 1.00 10.00 O ATOM 1045 CB PHE A 93 2.454 0.248 -3.281 1.00 10.00 C ATOM 1046 CG PHE A 93 2.277 -0.983 -2.440 1.00 10.00 C ATOM 1047 CD1 PHE A 93 2.660 -0.989 -1.108 1.00 10.00 C ATOM 1048 CD2 PHE A 93 1.732 -2.137 -2.982 1.00 10.00 C ATOM 1049 CE1 PHE A 93 2.501 -2.120 -0.333 1.00 10.00 C ATOM 1050 CE2 PHE A 93 1.572 -3.270 -2.212 1.00 10.00 C ATOM 1051 CZ PHE A 93 1.956 -3.261 -0.885 1.00 10.00 C ATOM 0 H PHE A 93 3.166 2.165 -4.697 1.00 10.00 H new ATOM 0 HA PHE A 93 4.339 0.872 -2.471 1.00 10.00 H new ATOM 0 HB2 PHE A 93 1.907 1.073 -2.826 1.00 10.00 H new ATOM 0 HB3 PHE A 93 2.013 0.076 -4.263 1.00 10.00 H new ATOM 0 HD1 PHE A 93 3.088 -0.099 -0.672 1.00 10.00 H new ATOM 0 HD2 PHE A 93 1.429 -2.149 -4.019 1.00 10.00 H new ATOM 0 HE1 PHE A 93 2.803 -2.112 0.704 1.00 10.00 H new ATOM 0 HE2 PHE A 93 1.147 -4.163 -2.646 1.00 10.00 H new ATOM 0 HZ PHE A 93 1.830 -4.147 -0.280 1.00 10.00 H new ATOM 1061 N ASN A 94 4.598 -0.635 -5.394 1.00 10.00 N ATOM 1062 CA ASN A 94 5.294 -1.700 -6.106 1.00 10.00 C ATOM 1063 C ASN A 94 6.810 -1.567 -5.963 1.00 10.00 C ATOM 1064 O ASN A 94 7.532 -2.563 -5.930 1.00 10.00 O ATOM 1065 CB ASN A 94 4.910 -1.682 -7.586 1.00 10.00 C ATOM 1066 CG ASN A 94 5.280 -2.971 -8.298 1.00 10.00 C ATOM 1067 OD1 ASN A 94 5.224 -4.051 -7.714 1.00 10.00 O ATOM 1068 ND2 ASN A 94 5.660 -2.867 -9.563 1.00 10.00 N ATOM 0 H ASN A 94 4.034 -0.028 -5.988 1.00 10.00 H new ATOM 0 HA ASN A 94 4.992 -2.650 -5.664 1.00 10.00 H new ATOM 0 HB2 ASN A 94 3.837 -1.515 -7.678 1.00 10.00 H new ATOM 0 HB3 ASN A 94 5.406 -0.844 -8.077 1.00 10.00 H new ATOM 0 HD21 ASN A 94 5.919 -3.702 -10.088 1.00 10.00 H new ATOM 0 HD22 ASN A 94 5.693 -1.952 -10.012 1.00 10.00 H new ATOM 1075 N ALA A 95 7.291 -0.334 -5.876 1.00 10.00 N ATOM 1076 CA ALA A 95 8.720 -0.081 -5.734 1.00 10.00 C ATOM 1077 C ALA A 95 9.154 -0.149 -4.273 1.00 10.00 C ATOM 1078 O ALA A 95 10.313 -0.434 -3.972 1.00 10.00 O ATOM 1079 CB ALA A 95 9.083 1.271 -6.331 1.00 10.00 C ATOM 0 H ALA A 95 6.714 0.507 -5.901 1.00 10.00 H new ATOM 0 HA ALA A 95 9.252 -0.861 -6.279 1.00 10.00 H new ATOM 0 HB1 ALA A 95 10.153 1.444 -6.216 1.00 10.00 H new ATOM 0 HB2 ALA A 95 8.825 1.282 -7.390 1.00 10.00 H new ATOM 0 HB3 ALA A 95 8.531 2.057 -5.815 1.00 10.00 H new ATOM 1085 N PHE A 96 8.210 0.099 -3.373 1.00 10.00 N ATOM 1086 CA PHE A 96 8.474 0.084 -1.933 1.00 10.00 C ATOM 1087 C PHE A 96 8.848 -1.314 -1.447 1.00 10.00 C ATOM 1088 O PHE A 96 9.627 -1.457 -0.509 1.00 10.00 O ATOM 1089 CB PHE A 96 7.244 0.579 -1.170 1.00 10.00 C ATOM 1090 CG PHE A 96 7.545 1.660 -0.170 1.00 10.00 C ATOM 1091 CD1 PHE A 96 8.028 2.890 -0.589 1.00 10.00 C ATOM 1092 CD2 PHE A 96 7.330 1.454 1.184 1.00 10.00 C ATOM 1093 CE1 PHE A 96 8.292 3.893 0.325 1.00 10.00 C ATOM 1094 CE2 PHE A 96 7.596 2.454 2.103 1.00 10.00 C ATOM 1095 CZ PHE A 96 8.076 3.675 1.672 1.00 10.00 C ATOM 0 H PHE A 96 7.243 0.316 -3.616 1.00 10.00 H new ATOM 0 HA PHE A 96 9.317 0.748 -1.743 1.00 10.00 H new ATOM 0 HB2 PHE A 96 6.510 0.952 -1.885 1.00 10.00 H new ATOM 0 HB3 PHE A 96 6.785 -0.264 -0.653 1.00 10.00 H new ATOM 0 HD1 PHE A 96 8.200 3.067 -1.641 1.00 10.00 H new ATOM 0 HD2 PHE A 96 6.951 0.502 1.526 1.00 10.00 H new ATOM 0 HE1 PHE A 96 8.667 4.847 -0.014 1.00 10.00 H new ATOM 0 HE2 PHE A 96 7.428 2.280 3.156 1.00 10.00 H new ATOM 0 HZ PHE A 96 8.282 4.458 2.387 1.00 10.00 H new ATOM 1105 N LEU A 97 8.294 -2.335 -2.093 1.00 10.00 N ATOM 1106 CA LEU A 97 8.559 -3.723 -1.721 1.00 10.00 C ATOM 1107 C LEU A 97 10.048 -4.051 -1.790 1.00 10.00 C ATOM 1108 O LEU A 97 10.651 -4.008 -2.860 1.00 10.00 O ATOM 1109 CB LEU A 97 7.792 -4.679 -2.635 1.00 10.00 C ATOM 1110 CG LEU A 97 6.307 -4.362 -2.814 1.00 10.00 C ATOM 1111 CD1 LEU A 97 5.661 -5.374 -3.739 1.00 10.00 C ATOM 1112 CD2 LEU A 97 5.596 -4.337 -1.467 1.00 10.00 C ATOM 0 H LEU A 97 7.655 -2.228 -2.881 1.00 10.00 H new ATOM 0 HA LEU A 97 8.223 -3.849 -0.692 1.00 10.00 H new ATOM 0 HB2 LEU A 97 8.268 -4.678 -3.616 1.00 10.00 H new ATOM 0 HB3 LEU A 97 7.885 -5.689 -2.237 1.00 10.00 H new ATOM 0 HG LEU A 97 6.217 -3.373 -3.264 1.00 10.00 H new ATOM 0 HD11 LEU A 97 4.604 -5.136 -3.857 1.00 10.00 H new ATOM 0 HD12 LEU A 97 6.151 -5.342 -4.712 1.00 10.00 H new ATOM 0 HD13 LEU A 97 5.763 -6.372 -3.314 1.00 10.00 H new ATOM 0 HD21 LEU A 97 4.541 -4.110 -1.617 1.00 10.00 H new ATOM 0 HD22 LEU A 97 5.693 -5.310 -0.986 1.00 10.00 H new ATOM 0 HD23 LEU A 97 6.045 -3.573 -0.833 1.00 10.00 H new ATOM 1124 N PRO A 98 10.660 -4.369 -0.640 1.00 10.00 N ATOM 1125 CA PRO A 98 12.081 -4.709 -0.569 1.00 10.00 C ATOM 1126 C PRO A 98 12.342 -6.166 -0.936 1.00 10.00 C ATOM 1127 O PRO A 98 13.439 -6.525 -1.365 1.00 10.00 O ATOM 1128 CB PRO A 98 12.420 -4.465 0.899 1.00 10.00 C ATOM 1129 CG PRO A 98 11.148 -4.691 1.641 1.00 10.00 C ATOM 1130 CD PRO A 98 10.019 -4.395 0.689 1.00 10.00 C ATOM 0 HA PRO A 98 12.681 -4.125 -1.267 1.00 10.00 H new ATOM 0 HB2 PRO A 98 13.200 -5.145 1.240 1.00 10.00 H new ATOM 0 HB3 PRO A 98 12.790 -3.452 1.054 1.00 10.00 H new ATOM 0 HG2 PRO A 98 11.089 -5.719 2.000 1.00 10.00 H new ATOM 0 HG3 PRO A 98 11.093 -4.044 2.516 1.00 10.00 H new ATOM 0 HD2 PRO A 98 9.244 -5.159 0.742 1.00 10.00 H new ATOM 0 HD3 PRO A 98 9.543 -3.442 0.920 1.00 10.00 H new ATOM 1138 N SER A 99 11.330 -7.003 -0.760 1.00 10.00 N ATOM 1139 CA SER A 99 11.451 -8.417 -1.065 1.00 10.00 C ATOM 1140 C SER A 99 11.023 -8.694 -2.503 1.00 10.00 C ATOM 1141 O SER A 99 9.829 -8.760 -2.799 1.00 10.00 O ATOM 1142 CB SER A 99 10.598 -9.230 -0.095 1.00 10.00 C ATOM 1143 OG SER A 99 10.849 -8.838 1.246 1.00 10.00 O ATOM 0 H SER A 99 10.415 -6.724 -0.407 1.00 10.00 H new ATOM 0 HA SER A 99 12.495 -8.711 -0.955 1.00 10.00 H new ATOM 0 HB2 SER A 99 9.542 -9.091 -0.328 1.00 10.00 H new ATOM 0 HB3 SER A 99 10.814 -10.292 -0.215 1.00 10.00 H new ATOM 0 HG SER A 99 10.292 -9.369 1.852 1.00 10.00 H new ATOM 1149 N GLY A 100 11.998 -8.825 -3.387 1.00 10.00 N ATOM 1150 CA GLY A 100 11.720 -9.097 -4.781 1.00 10.00 C ATOM 1151 C GLY A 100 12.859 -9.862 -5.421 1.00 10.00 C ATOM 1152 O GLY A 100 13.132 -10.998 -5.038 1.00 10.00 O ATOM 0 H GLY A 100 12.989 -8.747 -3.160 1.00 10.00 H new ATOM 0 HA2 GLY A 100 10.798 -9.672 -4.866 1.00 10.00 H new ATOM 0 HA3 GLY A 100 11.562 -8.159 -5.314 1.00 10.00 H new ATOM 1156 N PRO A 101 13.553 -9.267 -6.399 1.00 10.00 N ATOM 1157 CA PRO A 101 14.684 -9.912 -7.060 1.00 10.00 C ATOM 1158 C PRO A 101 15.964 -9.756 -6.242 1.00 10.00 C ATOM 1159 O PRO A 101 17.049 -10.122 -6.686 1.00 10.00 O ATOM 1160 CB PRO A 101 14.782 -9.147 -8.375 1.00 10.00 C ATOM 1161 CG PRO A 101 14.308 -7.774 -8.054 1.00 10.00 C ATOM 1162 CD PRO A 101 13.280 -7.924 -6.958 1.00 10.00 C ATOM 0 HA PRO A 101 14.553 -10.986 -7.189 1.00 10.00 H new ATOM 0 HB2 PRO A 101 15.806 -9.134 -8.750 1.00 10.00 H new ATOM 0 HB3 PRO A 101 14.166 -9.608 -9.147 1.00 10.00 H new ATOM 0 HG2 PRO A 101 15.135 -7.144 -7.727 1.00 10.00 H new ATOM 0 HG3 PRO A 101 13.873 -7.298 -8.933 1.00 10.00 H new ATOM 0 HD2 PRO A 101 13.386 -7.147 -6.201 1.00 10.00 H new ATOM 0 HD3 PRO A 101 12.265 -7.852 -7.349 1.00 10.00 H new ATOM 1170 N SER A 102 15.810 -9.208 -5.041 1.00 10.00 N ATOM 1171 CA SER A 102 16.915 -8.974 -4.128 1.00 10.00 C ATOM 1172 C SER A 102 17.611 -10.280 -3.732 1.00 10.00 C ATOM 1173 O SER A 102 17.007 -11.356 -3.761 1.00 10.00 O ATOM 1174 CB SER A 102 16.377 -8.255 -2.889 1.00 10.00 C ATOM 1175 OG SER A 102 14.978 -8.013 -3.020 1.00 10.00 O ATOM 0 H SER A 102 14.905 -8.912 -4.674 1.00 10.00 H new ATOM 0 HA SER A 102 17.662 -8.357 -4.627 1.00 10.00 H new ATOM 0 HB2 SER A 102 16.566 -8.858 -2.001 1.00 10.00 H new ATOM 0 HB3 SER A 102 16.904 -7.311 -2.752 1.00 10.00 H new ATOM 0 HG SER A 102 14.680 -7.417 -2.301 1.00 10.00 H new ATOM 1181 N SER A 103 18.879 -10.168 -3.366 1.00 10.00 N ATOM 1182 CA SER A 103 19.670 -11.321 -2.969 1.00 10.00 C ATOM 1183 C SER A 103 19.226 -11.816 -1.597 1.00 10.00 C ATOM 1184 O SER A 103 19.163 -11.045 -0.637 1.00 10.00 O ATOM 1185 CB SER A 103 21.163 -10.959 -2.956 1.00 10.00 C ATOM 1186 OG SER A 103 21.923 -11.913 -3.679 1.00 10.00 O ATOM 0 H SER A 103 19.385 -9.283 -3.336 1.00 10.00 H new ATOM 0 HA SER A 103 19.515 -12.122 -3.692 1.00 10.00 H new ATOM 0 HB2 SER A 103 21.305 -9.970 -3.392 1.00 10.00 H new ATOM 0 HB3 SER A 103 21.520 -10.908 -1.927 1.00 10.00 H new ATOM 0 HG SER A 103 22.870 -11.661 -3.658 1.00 10.00 H new ATOM 1192 N GLY A 104 18.897 -13.097 -1.514 1.00 10.00 N ATOM 1193 CA GLY A 104 18.467 -13.673 -0.253 1.00 10.00 C ATOM 1194 C GLY A 104 17.079 -14.268 -0.333 1.00 10.00 C ATOM 1195 O GLY A 104 16.161 -13.633 -0.858 1.00 10.00 O ATOM 0 H GLY A 104 18.920 -13.750 -2.297 1.00 10.00 H new ATOM 0 HA2 GLY A 104 19.173 -14.446 0.050 1.00 10.00 H new ATOM 0 HA3 GLY A 104 18.486 -12.904 0.519 1.00 10.00 H new