USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 33 THR OG1 : rot 108:sc= 1.17 USER MOD Set 2.1: A 14 ASN : amide:sc= -2.05! C(o=-1.3!,f=-6.2!) USER MOD Set 2.2: A 74 LYS NZ :NH3+ 165:sc= 0.738 (180deg=-0.0988) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -1.53 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -88:sc= 0.369 USER MOD Single : A 39 THR OG1 : rot 31:sc= -0.675 USER MOD Single : A 41 GLN : amide:sc= -0.717 K(o=-0.72,f=-1.7) USER MOD Single : A 42 TYR OH : rot 32:sc= 1.18 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0476) USER MOD Single : A 52 ASN : amide:sc= -1.55 K(o=-1.6,f=-3.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.84 K(o=-1.8,f=-9.6!) USER MOD Single : A 58 SER OG : rot 160:sc= -0.79 USER MOD Single : A 67 HIS : no HD1:sc= -2.09 K(o=-2.1,f=-2.6) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -21:sc= 0.757 USER MOD Single : A 76 MET CE :methyl -130:sc= -0.553 (180deg=-4.02!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 0:sc= -0.75 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.945 4.065 0.517 1.00 0.00 N ATOM 60 CA GLY A 7 -1.740 3.332 0.861 1.00 0.00 C ATOM 61 C GLY A 7 -1.971 2.324 1.968 1.00 0.00 C ATOM 62 O GLY A 7 -2.903 2.462 2.761 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.367 2.816 -0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.966 4.035 1.170 1.00 0.00 H new ATOM 66 N LEU A 8 -1.121 1.303 2.023 1.00 0.00 N ATOM 67 CA LEU A 8 -1.238 0.265 3.042 1.00 0.00 C ATOM 68 C LEU A 8 0.134 -0.123 3.583 1.00 0.00 C ATOM 69 O LEU A 8 1.076 -0.333 2.820 1.00 0.00 O ATOM 70 CB LEU A 8 -1.939 -0.966 2.465 1.00 0.00 C ATOM 71 CG LEU A 8 -3.466 -0.910 2.419 1.00 0.00 C ATOM 72 CD1 LEU A 8 -4.015 -2.018 1.535 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.045 -1.009 3.822 1.00 0.00 C ATOM 0 H LEU A 8 -0.344 1.172 1.375 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.833 0.662 3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.571 -1.127 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.645 -1.835 3.053 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.762 0.048 1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.103 -1.962 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.627 -1.902 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.709 -2.986 1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.133 -0.967 3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.739 -1.951 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.679 -0.179 4.426 1.00 0.00 H new ATOM 85 N ILE A 9 0.237 -0.220 4.904 1.00 0.00 N ATOM 86 CA ILE A 9 1.493 -0.586 5.547 1.00 0.00 C ATOM 87 C ILE A 9 1.481 -2.048 5.982 1.00 0.00 C ATOM 88 O ILE A 9 0.914 -2.393 7.018 1.00 0.00 O ATOM 89 CB ILE A 9 1.778 0.301 6.773 1.00 0.00 C ATOM 90 CG1 ILE A 9 1.728 1.780 6.383 1.00 0.00 C ATOM 91 CG2 ILE A 9 3.130 -0.048 7.377 1.00 0.00 C ATOM 92 CD1 ILE A 9 2.819 2.186 5.416 1.00 0.00 C ATOM 0 H ILE A 9 -0.534 -0.050 5.550 1.00 0.00 H new ATOM 0 HA ILE A 9 2.281 -0.435 4.810 1.00 0.00 H new ATOM 0 HB ILE A 9 1.009 0.116 7.523 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.758 1.997 5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.807 2.388 7.284 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.317 0.588 8.243 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.131 -1.093 7.687 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.912 0.111 6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.723 3.247 5.183 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.793 2.001 5.868 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.728 1.604 4.499 1.00 0.00 H new ATOM 104 N ALA A 10 2.115 -2.901 5.185 1.00 0.00 N ATOM 105 CA ALA A 10 2.181 -4.326 5.489 1.00 0.00 C ATOM 106 C ALA A 10 3.393 -4.646 6.357 1.00 0.00 C ATOM 107 O ALA A 10 4.536 -4.486 5.925 1.00 0.00 O ATOM 108 CB ALA A 10 2.219 -5.139 4.204 1.00 0.00 C ATOM 0 H ALA A 10 2.590 -2.631 4.324 1.00 0.00 H new ATOM 0 HA ALA A 10 1.285 -4.595 6.049 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.268 -6.201 4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.319 -4.941 3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.097 -4.859 3.622 1.00 0.00 H new ATOM 114 N CYS A 11 3.138 -5.098 7.579 1.00 0.00 N ATOM 115 CA CYS A 11 4.210 -5.439 8.508 1.00 0.00 C ATOM 116 C CYS A 11 4.581 -6.913 8.391 1.00 0.00 C ATOM 117 O CYS A 11 3.814 -7.791 8.785 1.00 0.00 O ATOM 118 CB CYS A 11 3.791 -5.118 9.943 1.00 0.00 C ATOM 119 SG CYS A 11 5.165 -5.051 11.117 1.00 0.00 S ATOM 0 H CYS A 11 2.198 -5.237 7.950 1.00 0.00 H new ATOM 0 HA CYS A 11 5.084 -4.841 8.251 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.272 -4.159 9.953 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.077 -5.870 10.278 1.00 0.00 H new ATOM 0 HG CYS A 11 4.710 -4.771 12.302 1.00 0.00 H new ATOM 125 N VAL A 12 5.765 -7.178 7.846 1.00 0.00 N ATOM 126 CA VAL A 12 6.239 -8.547 7.676 1.00 0.00 C ATOM 127 C VAL A 12 7.177 -8.948 8.808 1.00 0.00 C ATOM 128 O VAL A 12 7.794 -8.097 9.448 1.00 0.00 O ATOM 129 CB VAL A 12 6.968 -8.725 6.331 1.00 0.00 C ATOM 130 CG1 VAL A 12 6.665 -10.091 5.735 1.00 0.00 C ATOM 131 CG2 VAL A 12 6.584 -7.616 5.365 1.00 0.00 C ATOM 0 H VAL A 12 6.413 -6.463 7.515 1.00 0.00 H new ATOM 0 HA VAL A 12 5.360 -9.191 7.692 1.00 0.00 H new ATOM 0 HB VAL A 12 8.041 -8.663 6.510 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.189 -10.198 4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.997 -10.869 6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.592 -10.186 5.570 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.109 -7.758 4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.508 -7.642 5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.859 -6.651 5.791 1.00 0.00 H new ATOM 141 N ALA A 13 7.280 -10.251 9.050 1.00 0.00 N ATOM 142 CA ALA A 13 8.145 -10.766 10.105 1.00 0.00 C ATOM 143 C ALA A 13 9.317 -11.547 9.520 1.00 0.00 C ATOM 144 O ALA A 13 10.368 -11.670 10.149 1.00 0.00 O ATOM 145 CB ALA A 13 7.348 -11.642 11.061 1.00 0.00 C ATOM 0 H ALA A 13 6.775 -10.969 8.530 1.00 0.00 H new ATOM 0 HA ALA A 13 8.547 -9.917 10.658 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.006 -12.020 11.843 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.548 -11.054 11.512 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.918 -12.480 10.513 1.00 0.00 H new ATOM 151 N ASN A 14 9.129 -12.073 8.315 1.00 0.00 N ATOM 152 CA ASN A 14 10.171 -12.844 7.646 1.00 0.00 C ATOM 153 C ASN A 14 11.247 -11.925 7.077 1.00 0.00 C ATOM 154 O ASN A 14 11.078 -11.342 6.006 1.00 0.00 O ATOM 155 CB ASN A 14 9.567 -13.694 6.527 1.00 0.00 C ATOM 156 CG ASN A 14 9.447 -15.156 6.912 1.00 0.00 C ATOM 157 OD1 ASN A 14 10.137 -15.631 7.815 1.00 0.00 O ATOM 158 ND2 ASN A 14 8.570 -15.880 6.225 1.00 0.00 N ATOM 0 H ASN A 14 8.265 -11.980 7.781 1.00 0.00 H new ATOM 0 HA ASN A 14 10.632 -13.501 8.384 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.581 -13.306 6.272 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.185 -13.606 5.634 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.448 -16.870 6.438 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.019 -15.446 5.485 1.00 0.00 H new ATOM 165 N ASP A 15 12.354 -11.800 7.801 1.00 0.00 N ATOM 166 CA ASP A 15 13.460 -10.952 7.368 1.00 0.00 C ATOM 167 C ASP A 15 13.869 -11.284 5.936 1.00 0.00 C ATOM 168 O ASP A 15 14.400 -10.436 5.220 1.00 0.00 O ATOM 169 CB ASP A 15 14.656 -11.120 8.306 1.00 0.00 C ATOM 170 CG ASP A 15 14.347 -10.676 9.723 1.00 0.00 C ATOM 171 OD1 ASP A 15 13.823 -11.501 10.502 1.00 0.00 O ATOM 172 OD2 ASP A 15 14.630 -9.506 10.052 1.00 0.00 O ATOM 0 H ASP A 15 12.510 -12.275 8.690 1.00 0.00 H new ATOM 0 HA ASP A 15 13.126 -9.915 7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.963 -12.166 8.315 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.498 -10.544 7.923 1.00 0.00 H new ATOM 177 N ASP A 16 13.620 -12.523 5.526 1.00 0.00 N ATOM 178 CA ASP A 16 13.963 -12.966 4.181 1.00 0.00 C ATOM 179 C ASP A 16 13.266 -12.107 3.131 1.00 0.00 C ATOM 180 O ASP A 16 13.887 -11.656 2.170 1.00 0.00 O ATOM 181 CB ASP A 16 13.580 -14.435 3.991 1.00 0.00 C ATOM 182 CG ASP A 16 14.774 -15.304 3.647 1.00 0.00 C ATOM 183 OD1 ASP A 16 15.349 -15.115 2.554 1.00 0.00 O ATOM 184 OD2 ASP A 16 15.131 -16.175 4.468 1.00 0.00 O ATOM 0 H ASP A 16 13.182 -13.238 6.107 1.00 0.00 H new ATOM 0 HA ASP A 16 15.040 -12.860 4.055 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.114 -14.807 4.903 1.00 0.00 H new ATOM 0 HB3 ASP A 16 12.836 -14.514 3.198 1.00 0.00 H new ATOM 189 N VAL A 17 11.968 -11.886 3.322 1.00 0.00 N ATOM 190 CA VAL A 17 11.186 -11.081 2.391 1.00 0.00 C ATOM 191 C VAL A 17 11.955 -9.839 1.957 1.00 0.00 C ATOM 192 O VAL A 17 11.796 -9.356 0.835 1.00 0.00 O ATOM 193 CB VAL A 17 9.845 -10.650 3.013 1.00 0.00 C ATOM 194 CG1 VAL A 17 9.118 -9.678 2.096 1.00 0.00 C ATOM 195 CG2 VAL A 17 8.979 -11.866 3.307 1.00 0.00 C ATOM 0 H VAL A 17 11.437 -12.253 4.112 1.00 0.00 H new ATOM 0 HA VAL A 17 10.990 -11.706 1.519 1.00 0.00 H new ATOM 0 HB VAL A 17 10.049 -10.140 3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.173 -9.385 2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.736 -8.793 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.924 -10.158 1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.035 -11.543 3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.782 -12.405 2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.498 -12.522 4.005 1.00 0.00 H new ATOM 205 N PHE A 18 12.791 -9.324 2.853 1.00 0.00 N ATOM 206 CA PHE A 18 13.586 -8.136 2.564 1.00 0.00 C ATOM 207 C PHE A 18 14.856 -8.504 1.802 1.00 0.00 C ATOM 208 O PHE A 18 15.923 -7.941 2.045 1.00 0.00 O ATOM 209 CB PHE A 18 13.947 -7.410 3.861 1.00 0.00 C ATOM 210 CG PHE A 18 12.752 -7.011 4.678 1.00 0.00 C ATOM 211 CD1 PHE A 18 12.060 -7.953 5.424 1.00 0.00 C ATOM 212 CD2 PHE A 18 12.319 -5.696 4.701 1.00 0.00 C ATOM 213 CE1 PHE A 18 10.960 -7.590 6.177 1.00 0.00 C ATOM 214 CE2 PHE A 18 11.220 -5.326 5.453 1.00 0.00 C ATOM 215 CZ PHE A 18 10.538 -6.274 6.191 1.00 0.00 C ATOM 0 H PHE A 18 12.935 -9.711 3.786 1.00 0.00 H new ATOM 0 HA PHE A 18 12.988 -7.472 1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 18 14.589 -8.054 4.462 1.00 0.00 H new ATOM 0 HB3 PHE A 18 14.526 -6.519 3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.385 -8.983 5.416 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.846 -4.950 4.124 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.431 -8.334 6.754 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.895 -4.296 5.464 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.677 -5.988 6.777 1.00 0.00 H new ATOM 262 N GLU A 22 14.223 -13.699 -4.119 1.00 0.00 N ATOM 263 CA GLU A 22 12.939 -13.908 -4.779 1.00 0.00 C ATOM 264 C GLU A 22 11.790 -13.795 -3.782 1.00 0.00 C ATOM 265 O GLU A 22 10.758 -13.187 -4.071 1.00 0.00 O ATOM 266 CB GLU A 22 12.907 -15.280 -5.457 1.00 0.00 C ATOM 267 CG GLU A 22 11.941 -15.357 -6.627 1.00 0.00 C ATOM 268 CD GLU A 22 12.547 -14.846 -7.920 1.00 0.00 C ATOM 269 OE1 GLU A 22 13.442 -15.525 -8.464 1.00 0.00 O ATOM 270 OE2 GLU A 22 12.128 -13.766 -8.386 1.00 0.00 O ATOM 0 HA GLU A 22 12.818 -13.133 -5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.909 -15.527 -5.807 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.632 -16.034 -4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.623 -16.391 -6.763 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.048 -14.777 -6.395 1.00 0.00 H new ATOM 277 N THR A 23 11.975 -14.385 -2.604 1.00 0.00 N ATOM 278 CA THR A 23 10.955 -14.352 -1.564 1.00 0.00 C ATOM 279 C THR A 23 10.218 -13.017 -1.557 1.00 0.00 C ATOM 280 O THR A 23 9.040 -12.950 -1.210 1.00 0.00 O ATOM 281 CB THR A 23 11.565 -14.596 -0.171 1.00 0.00 C ATOM 282 OG1 THR A 23 12.254 -15.852 -0.150 1.00 0.00 O ATOM 283 CG2 THR A 23 10.486 -14.586 0.902 1.00 0.00 C ATOM 0 H THR A 23 12.822 -14.891 -2.347 1.00 0.00 H new ATOM 0 HA THR A 23 10.249 -15.152 -1.789 1.00 0.00 H new ATOM 0 HB THR A 23 12.270 -13.792 0.038 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.640 -15.998 0.739 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.941 -14.760 1.877 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.984 -13.619 0.904 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.760 -15.372 0.695 1.00 0.00 H new ATOM 291 N ARG A 24 10.922 -11.958 -1.945 1.00 0.00 N ATOM 292 CA ARG A 24 10.334 -10.624 -1.982 1.00 0.00 C ATOM 293 C ARG A 24 9.183 -10.564 -2.982 1.00 0.00 C ATOM 294 O ARG A 24 8.100 -10.073 -2.669 1.00 0.00 O ATOM 295 CB ARG A 24 11.396 -9.586 -2.350 1.00 0.00 C ATOM 296 CG ARG A 24 10.830 -8.197 -2.599 1.00 0.00 C ATOM 297 CD ARG A 24 11.771 -7.114 -2.095 1.00 0.00 C ATOM 298 NE ARG A 24 12.886 -6.889 -3.011 1.00 0.00 N ATOM 299 CZ ARG A 24 13.697 -5.839 -2.938 1.00 0.00 C ATOM 300 NH1 ARG A 24 13.518 -4.923 -1.996 1.00 0.00 N ATOM 301 NH2 ARG A 24 14.689 -5.703 -3.808 1.00 0.00 N ATOM 0 H ARG A 24 11.898 -11.998 -2.238 1.00 0.00 H new ATOM 0 HA ARG A 24 9.943 -10.399 -0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.131 -9.531 -1.547 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.924 -9.920 -3.244 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.654 -8.060 -3.666 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.864 -8.102 -2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.217 -6.185 -1.963 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.157 -7.396 -1.116 1.00 0.00 H new ATOM 0 HE ARG A 24 13.051 -7.575 -3.747 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.756 -5.023 -1.325 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.142 -4.118 -1.942 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.830 -6.405 -4.534 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.311 -4.896 -3.751 1.00 0.00 H new ATOM 315 N ALA A 25 9.426 -11.070 -4.187 1.00 0.00 N ATOM 316 CA ALA A 25 8.410 -11.076 -5.233 1.00 0.00 C ATOM 317 C ALA A 25 7.127 -11.743 -4.747 1.00 0.00 C ATOM 318 O ALA A 25 6.025 -11.278 -5.039 1.00 0.00 O ATOM 319 CB ALA A 25 8.935 -11.780 -6.474 1.00 0.00 C ATOM 0 H ALA A 25 10.318 -11.481 -4.463 1.00 0.00 H new ATOM 0 HA ALA A 25 8.178 -10.042 -5.486 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.166 -11.777 -7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.820 -11.260 -6.841 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.196 -12.809 -6.226 1.00 0.00 H new ATOM 325 N LYS A 26 7.277 -12.834 -4.004 1.00 0.00 N ATOM 326 CA LYS A 26 6.131 -13.565 -3.477 1.00 0.00 C ATOM 327 C LYS A 26 5.191 -12.631 -2.721 1.00 0.00 C ATOM 328 O LYS A 26 3.971 -12.725 -2.850 1.00 0.00 O ATOM 329 CB LYS A 26 6.600 -14.691 -2.552 1.00 0.00 C ATOM 330 CG LYS A 26 7.211 -15.869 -3.291 1.00 0.00 C ATOM 331 CD LYS A 26 8.039 -16.741 -2.360 1.00 0.00 C ATOM 332 CE LYS A 26 9.308 -17.231 -3.039 1.00 0.00 C ATOM 333 NZ LYS A 26 9.022 -18.276 -4.063 1.00 0.00 N ATOM 0 H LYS A 26 8.182 -13.232 -3.753 1.00 0.00 H new ATOM 0 HA LYS A 26 5.588 -13.996 -4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.333 -14.292 -1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.753 -15.042 -1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.419 -16.467 -3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.839 -15.504 -4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.299 -16.176 -1.465 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.445 -17.596 -2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.816 -16.390 -3.511 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.989 -17.634 -2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.913 -18.584 -4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.561 -19.090 -3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.393 -17.884 -4.793 1.00 0.00 H new ATOM 347 N PHE A 27 5.767 -11.729 -1.933 1.00 0.00 N ATOM 348 CA PHE A 27 4.981 -10.777 -1.157 1.00 0.00 C ATOM 349 C PHE A 27 4.477 -9.640 -2.041 1.00 0.00 C ATOM 350 O PHE A 27 3.518 -8.950 -1.696 1.00 0.00 O ATOM 351 CB PHE A 27 5.814 -10.213 -0.005 1.00 0.00 C ATOM 352 CG PHE A 27 5.257 -8.944 0.573 1.00 0.00 C ATOM 353 CD1 PHE A 27 5.335 -7.753 -0.133 1.00 0.00 C ATOM 354 CD2 PHE A 27 4.655 -8.940 1.820 1.00 0.00 C ATOM 355 CE1 PHE A 27 4.824 -6.583 0.397 1.00 0.00 C ATOM 356 CE2 PHE A 27 4.142 -7.773 2.355 1.00 0.00 C ATOM 357 CZ PHE A 27 4.225 -6.594 1.642 1.00 0.00 C ATOM 0 H PHE A 27 6.776 -11.637 -1.815 1.00 0.00 H new ATOM 0 HA PHE A 27 4.119 -11.304 -0.747 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.883 -10.962 0.784 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.828 -10.027 -0.358 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.800 -7.739 -1.108 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.585 -9.860 2.382 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.893 -5.661 -0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.677 -7.784 3.330 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.822 -5.682 2.057 1.00 0.00 H new ATOM 367 N GLU A 28 5.133 -9.450 -3.181 1.00 0.00 N ATOM 368 CA GLU A 28 4.754 -8.395 -4.114 1.00 0.00 C ATOM 369 C GLU A 28 3.539 -8.809 -4.940 1.00 0.00 C ATOM 370 O GLU A 28 2.541 -8.092 -4.999 1.00 0.00 O ATOM 371 CB GLU A 28 5.923 -8.057 -5.041 1.00 0.00 C ATOM 372 CG GLU A 28 6.592 -6.731 -4.719 1.00 0.00 C ATOM 373 CD GLU A 28 7.604 -6.318 -5.769 1.00 0.00 C ATOM 374 OE1 GLU A 28 8.292 -7.209 -6.310 1.00 0.00 O ATOM 375 OE2 GLU A 28 7.710 -5.105 -6.048 1.00 0.00 O ATOM 0 H GLU A 28 5.929 -10.012 -3.481 1.00 0.00 H new ATOM 0 HA GLU A 28 4.493 -7.510 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.665 -8.853 -4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.564 -8.033 -6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.830 -5.956 -4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.088 -6.804 -3.751 1.00 0.00 H new ATOM 382 N SER A 29 3.634 -9.973 -5.576 1.00 0.00 N ATOM 383 CA SER A 29 2.546 -10.483 -6.402 1.00 0.00 C ATOM 384 C SER A 29 1.233 -10.494 -5.625 1.00 0.00 C ATOM 385 O SER A 29 0.152 -10.386 -6.207 1.00 0.00 O ATOM 386 CB SER A 29 2.870 -11.894 -6.898 1.00 0.00 C ATOM 387 OG SER A 29 1.731 -12.507 -7.475 1.00 0.00 O ATOM 0 H SER A 29 4.453 -10.580 -5.535 1.00 0.00 H new ATOM 0 HA SER A 29 2.435 -9.821 -7.261 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.674 -11.849 -7.633 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.231 -12.500 -6.068 1.00 0.00 H new ATOM 0 HG SER A 29 1.965 -13.407 -7.785 1.00 0.00 H new ATOM 393 N LEU A 30 1.334 -10.627 -4.307 1.00 0.00 N ATOM 394 CA LEU A 30 0.155 -10.653 -3.448 1.00 0.00 C ATOM 395 C LEU A 30 -0.682 -9.391 -3.633 1.00 0.00 C ATOM 396 O LEU A 30 -1.911 -9.445 -3.641 1.00 0.00 O ATOM 397 CB LEU A 30 0.571 -10.792 -1.982 1.00 0.00 C ATOM 398 CG LEU A 30 0.916 -12.207 -1.515 1.00 0.00 C ATOM 399 CD1 LEU A 30 1.351 -12.195 -0.057 1.00 0.00 C ATOM 400 CD2 LEU A 30 -0.271 -13.138 -1.712 1.00 0.00 C ATOM 0 H LEU A 30 2.220 -10.718 -3.810 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.451 -11.514 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.436 -10.152 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.237 -10.412 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 30 1.745 -12.577 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.593 -13.210 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.230 -11.561 0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.542 -11.806 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.007 -14.140 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.120 -12.772 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.537 -13.169 -2.768 1.00 0.00 H new ATOM 412 N PHE A 31 -0.007 -8.256 -3.782 1.00 0.00 N ATOM 413 CA PHE A 31 -0.687 -6.980 -3.970 1.00 0.00 C ATOM 414 C PHE A 31 -0.725 -6.594 -5.445 1.00 0.00 C ATOM 415 O PHE A 31 -1.777 -6.240 -5.978 1.00 0.00 O ATOM 416 CB PHE A 31 0.010 -5.883 -3.161 1.00 0.00 C ATOM 417 CG PHE A 31 0.255 -6.259 -1.727 1.00 0.00 C ATOM 418 CD1 PHE A 31 1.307 -7.094 -1.387 1.00 0.00 C ATOM 419 CD2 PHE A 31 -0.566 -5.777 -0.721 1.00 0.00 C ATOM 420 CE1 PHE A 31 1.536 -7.441 -0.070 1.00 0.00 C ATOM 421 CE2 PHE A 31 -0.342 -6.120 0.599 1.00 0.00 C ATOM 422 CZ PHE A 31 0.710 -6.954 0.925 1.00 0.00 C ATOM 0 H PHE A 31 1.011 -8.194 -3.776 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.712 -7.088 -3.616 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.963 -5.644 -3.633 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.597 -4.978 -3.192 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.955 -7.478 -2.161 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.391 -5.126 -0.971 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.360 -8.092 0.182 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.988 -5.737 1.375 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.886 -7.225 1.955 1.00 0.00 H new ATOM 432 N ARG A 32 0.430 -6.665 -6.099 1.00 0.00 N ATOM 433 CA ARG A 32 0.530 -6.322 -7.512 1.00 0.00 C ATOM 434 C ARG A 32 -0.593 -6.975 -8.311 1.00 0.00 C ATOM 435 O ARG A 32 -1.250 -6.326 -9.126 1.00 0.00 O ATOM 436 CB ARG A 32 1.887 -6.757 -8.070 1.00 0.00 C ATOM 437 CG ARG A 32 2.522 -5.732 -8.995 1.00 0.00 C ATOM 438 CD ARG A 32 1.852 -5.723 -10.360 1.00 0.00 C ATOM 439 NE ARG A 32 2.664 -5.040 -11.363 1.00 0.00 N ATOM 440 CZ ARG A 32 3.834 -5.496 -11.798 1.00 0.00 C ATOM 441 NH1 ARG A 32 4.326 -6.631 -11.319 1.00 0.00 N ATOM 442 NH2 ARG A 32 4.514 -4.818 -12.713 1.00 0.00 N ATOM 0 H ARG A 32 1.309 -6.957 -5.673 1.00 0.00 H new ATOM 0 HA ARG A 32 0.437 -5.240 -7.604 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.565 -6.954 -7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.764 -7.695 -8.611 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.450 -4.741 -8.546 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.583 -5.953 -9.111 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.667 -6.748 -10.680 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.881 -5.233 -10.284 1.00 0.00 H new ATOM 0 HE ARG A 32 2.314 -4.164 -11.751 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.806 -7.156 -10.615 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.224 -6.979 -11.654 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.139 -3.945 -13.084 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.412 -5.170 -13.046 1.00 0.00 H new ATOM 456 N THR A 33 -0.809 -8.266 -8.073 1.00 0.00 N ATOM 457 CA THR A 33 -1.851 -9.008 -8.771 1.00 0.00 C ATOM 458 C THR A 33 -3.106 -8.160 -8.946 1.00 0.00 C ATOM 459 O THR A 33 -3.758 -8.208 -9.990 1.00 0.00 O ATOM 460 CB THR A 33 -2.219 -10.301 -8.020 1.00 0.00 C ATOM 461 OG1 THR A 33 -1.146 -11.245 -8.114 1.00 0.00 O ATOM 462 CG2 THR A 33 -3.490 -10.913 -8.587 1.00 0.00 C ATOM 0 H THR A 33 -0.276 -8.819 -7.402 1.00 0.00 H new ATOM 0 HA THR A 33 -1.452 -9.268 -9.751 1.00 0.00 H new ATOM 0 HB THR A 33 -2.391 -10.050 -6.973 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.699 -11.320 -7.245 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.730 -11.825 -8.041 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.311 -10.204 -8.487 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.341 -11.150 -9.641 1.00 0.00 H new ATOM 470 N TYR A 34 -3.440 -7.387 -7.919 1.00 0.00 N ATOM 471 CA TYR A 34 -4.619 -6.530 -7.959 1.00 0.00 C ATOM 472 C TYR A 34 -4.412 -5.363 -8.921 1.00 0.00 C ATOM 473 O TYR A 34 -5.014 -5.314 -9.993 1.00 0.00 O ATOM 474 CB TYR A 34 -4.938 -6.001 -6.560 1.00 0.00 C ATOM 475 CG TYR A 34 -4.890 -7.064 -5.485 1.00 0.00 C ATOM 476 CD1 TYR A 34 -5.455 -8.316 -5.693 1.00 0.00 C ATOM 477 CD2 TYR A 34 -4.276 -6.817 -4.263 1.00 0.00 C ATOM 478 CE1 TYR A 34 -5.414 -9.289 -4.713 1.00 0.00 C ATOM 479 CE2 TYR A 34 -4.228 -7.784 -3.279 1.00 0.00 C ATOM 480 CZ TYR A 34 -4.799 -9.018 -3.508 1.00 0.00 C ATOM 481 OH TYR A 34 -4.755 -9.986 -2.531 1.00 0.00 O ATOM 0 H TYR A 34 -2.911 -7.336 -7.048 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.459 -7.127 -8.315 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.230 -5.211 -6.309 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.930 -5.550 -6.569 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.934 -8.532 -6.636 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.828 -5.851 -4.080 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.861 -10.256 -4.889 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.746 -7.575 -2.335 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.286 -9.636 -1.745 1.00 0.00 H new ATOM 491 N ASP A 35 -3.557 -4.426 -8.528 1.00 0.00 N ATOM 492 CA ASP A 35 -3.268 -3.260 -9.354 1.00 0.00 C ATOM 493 C ASP A 35 -1.873 -3.359 -9.965 1.00 0.00 C ATOM 494 O ASP A 35 -0.963 -3.937 -9.372 1.00 0.00 O ATOM 495 CB ASP A 35 -3.385 -1.980 -8.526 1.00 0.00 C ATOM 496 CG ASP A 35 -4.338 -0.976 -9.145 1.00 0.00 C ATOM 497 OD1 ASP A 35 -5.214 -1.394 -9.930 1.00 0.00 O ATOM 498 OD2 ASP A 35 -4.208 0.230 -8.844 1.00 0.00 O ATOM 0 H ASP A 35 -3.052 -4.451 -7.642 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.998 -3.229 -10.163 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.727 -2.230 -7.522 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.400 -1.526 -8.423 1.00 0.00 H new ATOM 503 N LYS A 36 -1.713 -2.791 -11.156 1.00 0.00 N ATOM 504 CA LYS A 36 -0.430 -2.814 -11.848 1.00 0.00 C ATOM 505 C LYS A 36 0.364 -1.543 -11.564 1.00 0.00 C ATOM 506 O LYS A 36 1.532 -1.434 -11.940 1.00 0.00 O ATOM 507 CB LYS A 36 -0.644 -2.969 -13.356 1.00 0.00 C ATOM 508 CG LYS A 36 -1.527 -1.890 -13.959 1.00 0.00 C ATOM 509 CD LYS A 36 -1.042 -1.480 -15.339 1.00 0.00 C ATOM 510 CE LYS A 36 -1.982 -1.970 -16.429 1.00 0.00 C ATOM 511 NZ LYS A 36 -1.515 -3.252 -17.028 1.00 0.00 N ATOM 0 H LYS A 36 -2.456 -2.309 -11.662 1.00 0.00 H new ATOM 0 HA LYS A 36 0.139 -3.667 -11.478 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.325 -2.955 -13.855 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.090 -3.944 -13.553 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.553 -2.253 -14.026 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.539 -1.020 -13.303 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.960 -0.394 -15.389 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.044 -1.883 -15.510 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.981 -2.105 -16.014 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.061 -1.212 -17.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.182 -3.553 -17.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.573 -3.117 -17.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.464 -3.982 -16.289 1.00 0.00 H new ATOM 525 N ASP A 37 -0.275 -0.588 -10.899 1.00 0.00 N ATOM 526 CA ASP A 37 0.373 0.675 -10.563 1.00 0.00 C ATOM 527 C ASP A 37 0.639 0.766 -9.064 1.00 0.00 C ATOM 528 O ASP A 37 0.689 1.858 -8.496 1.00 0.00 O ATOM 529 CB ASP A 37 -0.493 1.853 -11.012 1.00 0.00 C ATOM 530 CG ASP A 37 0.259 2.811 -11.917 1.00 0.00 C ATOM 531 OD1 ASP A 37 0.563 2.428 -13.065 1.00 0.00 O ATOM 532 OD2 ASP A 37 0.541 3.944 -11.474 1.00 0.00 O ATOM 0 H ASP A 37 -1.241 -0.664 -10.582 1.00 0.00 H new ATOM 0 HA ASP A 37 1.328 0.716 -11.087 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.371 1.476 -11.536 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.852 2.392 -10.135 1.00 0.00 H new ATOM 537 N THR A 38 0.809 -0.388 -8.426 1.00 0.00 N ATOM 538 CA THR A 38 1.067 -0.439 -6.993 1.00 0.00 C ATOM 539 C THR A 38 2.560 -0.341 -6.700 1.00 0.00 C ATOM 540 O THR A 38 3.359 -1.118 -7.223 1.00 0.00 O ATOM 541 CB THR A 38 0.517 -1.734 -6.368 1.00 0.00 C ATOM 542 OG1 THR A 38 0.661 -2.822 -7.289 1.00 0.00 O ATOM 543 CG2 THR A 38 -0.948 -1.574 -5.991 1.00 0.00 C ATOM 0 H THR A 38 0.772 -1.301 -8.880 1.00 0.00 H new ATOM 0 HA THR A 38 0.555 0.415 -6.549 1.00 0.00 H new ATOM 0 HB THR A 38 1.088 -1.945 -5.464 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.131 -2.870 -7.865 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.314 -2.502 -5.552 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.051 -0.765 -5.268 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.530 -1.341 -6.883 1.00 0.00 H new ATOM 551 N THR A 39 2.932 0.619 -5.858 1.00 0.00 N ATOM 552 CA THR A 39 4.329 0.819 -5.496 1.00 0.00 C ATOM 553 C THR A 39 4.639 0.200 -4.137 1.00 0.00 C ATOM 554 O THR A 39 3.926 0.433 -3.161 1.00 0.00 O ATOM 555 CB THR A 39 4.692 2.315 -5.460 1.00 0.00 C ATOM 556 OG1 THR A 39 3.968 2.970 -4.413 1.00 0.00 O ATOM 557 CG2 THR A 39 4.380 2.980 -6.792 1.00 0.00 C ATOM 0 H THR A 39 2.284 1.270 -5.414 1.00 0.00 H new ATOM 0 HA THR A 39 4.927 0.326 -6.262 1.00 0.00 H new ATOM 0 HB THR A 39 5.762 2.402 -5.270 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.806 2.338 -3.682 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.645 4.036 -6.742 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.955 2.498 -7.583 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.316 2.883 -7.007 1.00 0.00 H new ATOM 565 N PHE A 40 5.707 -0.589 -4.082 1.00 0.00 N ATOM 566 CA PHE A 40 6.111 -1.242 -2.842 1.00 0.00 C ATOM 567 C PHE A 40 7.350 -0.574 -2.254 1.00 0.00 C ATOM 568 O PHE A 40 8.372 -0.440 -2.926 1.00 0.00 O ATOM 569 CB PHE A 40 6.385 -2.727 -3.088 1.00 0.00 C ATOM 570 CG PHE A 40 5.239 -3.449 -3.735 1.00 0.00 C ATOM 571 CD1 PHE A 40 4.864 -3.157 -5.038 1.00 0.00 C ATOM 572 CD2 PHE A 40 4.535 -4.421 -3.042 1.00 0.00 C ATOM 573 CE1 PHE A 40 3.810 -3.820 -5.634 1.00 0.00 C ATOM 574 CE2 PHE A 40 3.478 -5.088 -3.634 1.00 0.00 C ATOM 575 CZ PHE A 40 3.116 -4.788 -4.933 1.00 0.00 C ATOM 0 H PHE A 40 6.308 -0.792 -4.881 1.00 0.00 H new ATOM 0 HA PHE A 40 5.294 -1.145 -2.127 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.268 -2.826 -3.719 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.617 -3.208 -2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.402 -2.403 -5.592 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.815 -4.661 -2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.528 -3.582 -6.649 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.937 -5.842 -3.082 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.293 -5.309 -5.400 1.00 0.00 H new ATOM 585 N GLN A 41 7.250 -0.157 -0.996 1.00 0.00 N ATOM 586 CA GLN A 41 8.363 0.498 -0.318 1.00 0.00 C ATOM 587 C GLN A 41 8.857 -0.344 0.854 1.00 0.00 C ATOM 588 O GLN A 41 8.178 -0.468 1.872 1.00 0.00 O ATOM 589 CB GLN A 41 7.943 1.883 0.175 1.00 0.00 C ATOM 590 CG GLN A 41 8.879 2.996 -0.266 1.00 0.00 C ATOM 591 CD GLN A 41 8.416 4.365 0.195 1.00 0.00 C ATOM 592 OE1 GLN A 41 9.173 5.111 0.818 1.00 0.00 O ATOM 593 NE2 GLN A 41 7.169 4.702 -0.110 1.00 0.00 N ATOM 0 H GLN A 41 6.411 -0.261 -0.426 1.00 0.00 H new ATOM 0 HA GLN A 41 9.178 0.607 -1.033 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.938 2.099 -0.188 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.893 1.872 1.264 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.877 2.803 0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.957 2.990 -1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.577 4.052 -0.628 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.802 5.611 0.173 1.00 0.00 H new ATOM 602 N TYR A 42 10.044 -0.920 0.701 1.00 0.00 N ATOM 603 CA TYR A 42 10.630 -1.752 1.746 1.00 0.00 C ATOM 604 C TYR A 42 11.579 -0.940 2.622 1.00 0.00 C ATOM 605 O TYR A 42 12.553 -0.366 2.136 1.00 0.00 O ATOM 606 CB TYR A 42 11.376 -2.935 1.126 1.00 0.00 C ATOM 607 CG TYR A 42 10.463 -4.011 0.585 1.00 0.00 C ATOM 608 CD1 TYR A 42 10.006 -5.038 1.401 1.00 0.00 C ATOM 609 CD2 TYR A 42 10.057 -4.001 -0.744 1.00 0.00 C ATOM 610 CE1 TYR A 42 9.172 -6.024 0.911 1.00 0.00 C ATOM 611 CE2 TYR A 42 9.221 -4.982 -1.243 1.00 0.00 C ATOM 612 CZ TYR A 42 8.782 -5.992 -0.412 1.00 0.00 C ATOM 613 OH TYR A 42 7.950 -6.971 -0.903 1.00 0.00 O ATOM 0 H TYR A 42 10.619 -0.826 -0.136 1.00 0.00 H new ATOM 0 HA TYR A 42 9.821 -2.128 2.372 1.00 0.00 H new ATOM 0 HB2 TYR A 42 12.011 -2.570 0.319 1.00 0.00 H new ATOM 0 HB3 TYR A 42 12.034 -3.372 1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.308 -5.066 2.437 1.00 0.00 H new ATOM 0 HD2 TYR A 42 10.401 -3.213 -1.398 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.827 -6.816 1.560 1.00 0.00 H new ATOM 0 HE2 TYR A 42 8.913 -4.958 -2.278 1.00 0.00 H new ATOM 0 HH TYR A 42 7.343 -7.270 -0.194 1.00 0.00 H new ATOM 623 N PHE A 43 11.286 -0.898 3.918 1.00 0.00 N ATOM 624 CA PHE A 43 12.112 -0.157 4.863 1.00 0.00 C ATOM 625 C PHE A 43 12.886 -1.109 5.772 1.00 0.00 C ATOM 626 O PHE A 43 12.368 -1.576 6.787 1.00 0.00 O ATOM 627 CB PHE A 43 11.244 0.778 5.707 1.00 0.00 C ATOM 628 CG PHE A 43 10.454 1.762 4.892 1.00 0.00 C ATOM 629 CD1 PHE A 43 11.093 2.642 4.033 1.00 0.00 C ATOM 630 CD2 PHE A 43 9.072 1.805 4.982 1.00 0.00 C ATOM 631 CE1 PHE A 43 10.369 3.548 3.283 1.00 0.00 C ATOM 632 CE2 PHE A 43 8.342 2.709 4.233 1.00 0.00 C ATOM 633 CZ PHE A 43 8.992 3.581 3.381 1.00 0.00 C ATOM 0 H PHE A 43 10.483 -1.368 4.337 1.00 0.00 H new ATOM 0 HA PHE A 43 12.827 0.437 4.294 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.557 0.180 6.306 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.882 1.324 6.402 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.169 2.619 3.949 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.559 1.124 5.645 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.880 4.231 2.620 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.265 2.734 4.314 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.424 4.287 2.793 1.00 0.00 H new ATOM 643 N LYS A 44 14.130 -1.391 5.401 1.00 0.00 N ATOM 644 CA LYS A 44 14.977 -2.285 6.180 1.00 0.00 C ATOM 645 C LYS A 44 15.317 -1.671 7.534 1.00 0.00 C ATOM 646 O LYS A 44 15.858 -2.341 8.413 1.00 0.00 O ATOM 647 CB LYS A 44 16.264 -2.599 5.413 1.00 0.00 C ATOM 648 CG LYS A 44 16.300 -4.003 4.834 1.00 0.00 C ATOM 649 CD LYS A 44 17.212 -4.915 5.639 1.00 0.00 C ATOM 650 CE LYS A 44 16.614 -6.304 5.794 1.00 0.00 C ATOM 651 NZ LYS A 44 15.595 -6.351 6.879 1.00 0.00 N ATOM 0 H LYS A 44 14.574 -1.013 4.564 1.00 0.00 H new ATOM 0 HA LYS A 44 14.426 -3.210 6.349 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.380 -1.878 4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.116 -2.468 6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.292 -4.417 4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.644 -3.963 3.801 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.182 -4.988 5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.386 -4.481 6.623 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.157 -6.610 4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.408 -7.019 6.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.211 -7.315 6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.037 -6.084 7.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.825 -5.687 6.661 1.00 0.00 H new ATOM 665 N SER A 45 14.993 -0.392 7.696 1.00 0.00 N ATOM 666 CA SER A 45 15.266 0.314 8.943 1.00 0.00 C ATOM 667 C SER A 45 14.121 0.128 9.934 1.00 0.00 C ATOM 668 O SER A 45 14.234 0.490 11.105 1.00 0.00 O ATOM 669 CB SER A 45 15.485 1.804 8.672 1.00 0.00 C ATOM 670 OG SER A 45 16.506 2.003 7.711 1.00 0.00 O ATOM 0 H SER A 45 14.541 0.177 6.980 1.00 0.00 H new ATOM 0 HA SER A 45 16.172 -0.106 9.379 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.557 2.253 8.319 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.751 2.310 9.600 1.00 0.00 H new ATOM 0 HG SER A 45 16.625 2.963 7.554 1.00 0.00 H new ATOM 676 N PHE A 46 13.019 -0.440 9.456 1.00 0.00 N ATOM 677 CA PHE A 46 11.852 -0.675 10.298 1.00 0.00 C ATOM 678 C PHE A 46 11.075 -1.899 9.824 1.00 0.00 C ATOM 679 O PHE A 46 9.901 -2.070 10.151 1.00 0.00 O ATOM 680 CB PHE A 46 10.940 0.554 10.296 1.00 0.00 C ATOM 681 CG PHE A 46 11.569 1.769 10.916 1.00 0.00 C ATOM 682 CD1 PHE A 46 11.723 1.858 12.290 1.00 0.00 C ATOM 683 CD2 PHE A 46 12.004 2.821 10.126 1.00 0.00 C ATOM 684 CE1 PHE A 46 12.300 2.976 12.864 1.00 0.00 C ATOM 685 CE2 PHE A 46 12.582 3.939 10.695 1.00 0.00 C ATOM 686 CZ PHE A 46 12.731 4.017 12.066 1.00 0.00 C ATOM 0 H PHE A 46 12.910 -0.746 8.489 1.00 0.00 H new ATOM 0 HA PHE A 46 12.200 -0.860 11.314 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.658 0.785 9.269 1.00 0.00 H new ATOM 0 HB3 PHE A 46 10.022 0.316 10.833 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.389 1.046 12.919 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.890 2.766 9.053 1.00 0.00 H new ATOM 0 HE1 PHE A 46 12.413 3.035 13.936 1.00 0.00 H new ATOM 0 HE2 PHE A 46 12.917 4.752 10.068 1.00 0.00 H new ATOM 0 HZ PHE A 46 13.183 4.890 12.513 1.00 0.00 H new ATOM 696 N LYS A 47 11.741 -2.751 9.051 1.00 0.00 N ATOM 697 CA LYS A 47 11.116 -3.962 8.531 1.00 0.00 C ATOM 698 C LYS A 47 9.643 -3.722 8.219 1.00 0.00 C ATOM 699 O LYS A 47 8.779 -4.500 8.625 1.00 0.00 O ATOM 700 CB LYS A 47 11.256 -5.106 9.537 1.00 0.00 C ATOM 701 CG LYS A 47 12.576 -5.849 9.433 1.00 0.00 C ATOM 702 CD LYS A 47 13.757 -4.930 9.694 1.00 0.00 C ATOM 703 CE LYS A 47 14.779 -5.582 10.613 1.00 0.00 C ATOM 704 NZ LYS A 47 14.278 -5.694 12.010 1.00 0.00 N ATOM 0 H LYS A 47 12.714 -2.625 8.771 1.00 0.00 H new ATOM 0 HA LYS A 47 11.625 -4.236 7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.152 -4.706 10.546 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.439 -5.812 9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.589 -6.671 10.149 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.669 -6.289 8.440 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.231 -4.668 8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.404 -4.001 10.142 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.026 -6.574 10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.700 -4.999 10.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.070 -5.917 12.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.847 -4.792 12.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.567 -6.451 12.064 1.00 0.00 H new ATOM 718 N ARG A 48 9.363 -2.643 7.495 1.00 0.00 N ATOM 719 CA ARG A 48 7.994 -2.303 7.129 1.00 0.00 C ATOM 720 C ARG A 48 7.835 -2.245 5.612 1.00 0.00 C ATOM 721 O ARG A 48 8.805 -2.033 4.884 1.00 0.00 O ATOM 722 CB ARG A 48 7.597 -0.960 7.745 1.00 0.00 C ATOM 723 CG ARG A 48 6.924 -1.089 9.103 1.00 0.00 C ATOM 724 CD ARG A 48 6.486 0.266 9.638 1.00 0.00 C ATOM 725 NE ARG A 48 6.292 0.246 11.085 1.00 0.00 N ATOM 726 CZ ARG A 48 5.190 -0.207 11.672 1.00 0.00 C ATOM 727 NH1 ARG A 48 4.188 -0.675 10.939 1.00 0.00 N ATOM 728 NH2 ARG A 48 5.087 -0.193 12.995 1.00 0.00 N ATOM 0 H ARG A 48 10.066 -1.990 7.151 1.00 0.00 H new ATOM 0 HA ARG A 48 7.337 -3.082 7.517 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.487 -0.339 7.847 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.923 -0.442 7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.058 -1.746 9.020 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.612 -1.555 9.809 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.235 1.016 9.383 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.557 0.565 9.152 1.00 0.00 H new ATOM 0 HE ARG A 48 7.044 0.599 11.677 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.263 -0.688 9.922 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.343 -1.022 11.393 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.855 0.166 13.563 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.240 -0.541 13.444 1.00 0.00 H new ATOM 742 N VAL A 49 6.606 -2.434 5.143 1.00 0.00 N ATOM 743 CA VAL A 49 6.320 -2.402 3.714 1.00 0.00 C ATOM 744 C VAL A 49 5.193 -1.424 3.401 1.00 0.00 C ATOM 745 O VAL A 49 4.087 -1.546 3.926 1.00 0.00 O ATOM 746 CB VAL A 49 5.933 -3.798 3.188 1.00 0.00 C ATOM 747 CG1 VAL A 49 5.994 -3.832 1.669 1.00 0.00 C ATOM 748 CG2 VAL A 49 6.837 -4.863 3.790 1.00 0.00 C ATOM 0 H VAL A 49 5.792 -2.611 5.732 1.00 0.00 H new ATOM 0 HA VAL A 49 7.232 -2.073 3.216 1.00 0.00 H new ATOM 0 HB VAL A 49 4.908 -4.010 3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.718 -4.825 1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.301 -3.096 1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.007 -3.599 1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.550 -5.843 3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.872 -4.657 3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.737 -4.854 4.875 1.00 0.00 H new ATOM 758 N ARG A 50 5.484 -0.453 2.540 1.00 0.00 N ATOM 759 CA ARG A 50 4.496 0.549 2.157 1.00 0.00 C ATOM 760 C ARG A 50 3.986 0.294 0.741 1.00 0.00 C ATOM 761 O ARG A 50 4.675 0.581 -0.238 1.00 0.00 O ATOM 762 CB ARG A 50 5.099 1.952 2.249 1.00 0.00 C ATOM 763 CG ARG A 50 4.143 2.989 2.815 1.00 0.00 C ATOM 764 CD ARG A 50 4.211 4.294 2.037 1.00 0.00 C ATOM 765 NE ARG A 50 3.594 5.399 2.766 1.00 0.00 N ATOM 766 CZ ARG A 50 3.549 6.645 2.308 1.00 0.00 C ATOM 767 NH1 ARG A 50 4.080 6.943 1.131 1.00 0.00 N ATOM 768 NH2 ARG A 50 2.969 7.596 3.031 1.00 0.00 N ATOM 0 H ARG A 50 6.395 -0.339 2.095 1.00 0.00 H new ATOM 0 HA ARG A 50 3.655 0.477 2.847 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.992 1.914 2.873 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.417 2.267 1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.125 2.600 2.787 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.385 3.175 3.861 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.253 4.536 1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.711 4.170 1.076 1.00 0.00 H new ATOM 0 HE ARG A 50 3.175 5.203 3.675 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.525 6.214 0.573 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.043 7.901 0.783 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.559 7.369 3.937 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.934 8.553 2.680 1.00 0.00 H new ATOM 782 N ILE A 51 2.775 -0.245 0.642 1.00 0.00 N ATOM 783 CA ILE A 51 2.174 -0.537 -0.653 1.00 0.00 C ATOM 784 C ILE A 51 1.119 0.503 -1.016 1.00 0.00 C ATOM 785 O ILE A 51 0.023 0.512 -0.456 1.00 0.00 O ATOM 786 CB ILE A 51 1.528 -1.934 -0.671 1.00 0.00 C ATOM 787 CG1 ILE A 51 2.527 -2.988 -0.188 1.00 0.00 C ATOM 788 CG2 ILE A 51 1.030 -2.270 -2.069 1.00 0.00 C ATOM 789 CD1 ILE A 51 2.069 -3.735 1.043 1.00 0.00 C ATOM 0 H ILE A 51 2.192 -0.488 1.443 1.00 0.00 H new ATOM 0 HA ILE A 51 2.978 -0.508 -1.388 1.00 0.00 H new ATOM 0 HB ILE A 51 0.674 -1.932 0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.705 -3.703 -0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.480 -2.503 0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.576 -3.261 -2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.289 -1.533 -2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.868 -2.258 -2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.826 -4.465 1.328 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.918 -3.031 1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.132 -4.249 0.829 1.00 0.00 H new ATOM 801 N ASN A 52 1.457 1.377 -1.957 1.00 0.00 N ATOM 802 CA ASN A 52 0.538 2.422 -2.397 1.00 0.00 C ATOM 803 C ASN A 52 -0.164 2.020 -3.690 1.00 0.00 C ATOM 804 O ASN A 52 0.479 1.623 -4.661 1.00 0.00 O ATOM 805 CB ASN A 52 1.289 3.739 -2.599 1.00 0.00 C ATOM 806 CG ASN A 52 1.483 4.500 -1.302 1.00 0.00 C ATOM 807 OD1 ASN A 52 0.563 4.612 -0.492 1.00 0.00 O ATOM 808 ND2 ASN A 52 2.685 5.026 -1.099 1.00 0.00 N ATOM 0 H ASN A 52 2.360 1.383 -2.430 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.216 2.557 -1.622 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.262 3.534 -3.046 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.740 4.363 -3.304 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.875 5.548 -0.244 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.418 4.908 -1.798 1.00 0.00 H new ATOM 815 N PHE A 53 -1.489 2.125 -3.694 1.00 0.00 N ATOM 816 CA PHE A 53 -2.280 1.772 -4.868 1.00 0.00 C ATOM 817 C PHE A 53 -2.727 3.023 -5.619 1.00 0.00 C ATOM 818 O PHE A 53 -2.390 4.143 -5.236 1.00 0.00 O ATOM 819 CB PHE A 53 -3.501 0.948 -4.456 1.00 0.00 C ATOM 820 CG PHE A 53 -3.161 -0.254 -3.623 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.646 -0.104 -2.345 1.00 0.00 C ATOM 822 CD2 PHE A 53 -3.356 -1.534 -4.117 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.331 -1.209 -1.576 1.00 0.00 C ATOM 824 CE2 PHE A 53 -3.043 -2.642 -3.353 1.00 0.00 C ATOM 825 CZ PHE A 53 -2.530 -2.479 -2.081 1.00 0.00 C ATOM 0 H PHE A 53 -2.037 2.451 -2.898 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.654 1.176 -5.532 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.187 1.585 -3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.028 0.621 -5.353 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.489 0.887 -1.945 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.757 -1.667 -5.111 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.930 -1.079 -0.582 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.199 -3.634 -3.750 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.285 -3.344 -1.482 1.00 0.00 H new ATOM 835 N SER A 54 -3.484 2.823 -6.693 1.00 0.00 N ATOM 836 CA SER A 54 -3.973 3.933 -7.501 1.00 0.00 C ATOM 837 C SER A 54 -5.416 4.273 -7.142 1.00 0.00 C ATOM 838 O SER A 54 -5.901 5.364 -7.439 1.00 0.00 O ATOM 839 CB SER A 54 -3.873 3.591 -8.990 1.00 0.00 C ATOM 840 OG SER A 54 -4.172 4.719 -9.794 1.00 0.00 O ATOM 0 H SER A 54 -3.772 1.902 -7.024 1.00 0.00 H new ATOM 0 HA SER A 54 -3.351 4.803 -7.292 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.868 3.234 -9.218 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.561 2.779 -9.227 1.00 0.00 H new ATOM 0 HG SER A 54 -4.100 4.475 -10.740 1.00 0.00 H new ATOM 846 N ASN A 55 -6.097 3.329 -6.500 1.00 0.00 N ATOM 847 CA ASN A 55 -7.486 3.527 -6.100 1.00 0.00 C ATOM 848 C ASN A 55 -7.728 2.992 -4.692 1.00 0.00 C ATOM 849 O ASN A 55 -7.165 1.977 -4.282 1.00 0.00 O ATOM 850 CB ASN A 55 -8.426 2.836 -7.089 1.00 0.00 C ATOM 851 CG ASN A 55 -8.134 1.354 -7.226 1.00 0.00 C ATOM 852 OD1 ASN A 55 -7.833 0.676 -6.243 1.00 0.00 O ATOM 853 ND2 ASN A 55 -8.223 0.845 -8.449 1.00 0.00 N ATOM 0 H ASN A 55 -5.710 2.420 -6.246 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.690 4.598 -6.102 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.457 2.972 -6.762 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.336 3.313 -8.065 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.039 -0.146 -8.604 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.476 1.445 -9.234 1.00 0.00 H new ATOM 860 N PRO A 56 -8.585 3.691 -3.933 1.00 0.00 N ATOM 861 CA PRO A 56 -8.922 3.305 -2.560 1.00 0.00 C ATOM 862 C PRO A 56 -9.758 2.031 -2.504 1.00 0.00 C ATOM 863 O PRO A 56 -10.124 1.562 -1.425 1.00 0.00 O ATOM 864 CB PRO A 56 -9.731 4.498 -2.044 1.00 0.00 C ATOM 865 CG PRO A 56 -10.307 5.122 -3.268 1.00 0.00 C ATOM 866 CD PRO A 56 -9.292 4.911 -4.357 1.00 0.00 C ATOM 0 HA PRO A 56 -8.033 3.087 -1.969 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.514 4.178 -1.357 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.098 5.201 -1.502 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.260 4.662 -3.529 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.497 6.184 -3.112 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.767 4.783 -5.330 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.613 5.759 -4.443 1.00 0.00 H new ATOM 874 N LEU A 57 -10.057 1.473 -3.672 1.00 0.00 N ATOM 875 CA LEU A 57 -10.850 0.252 -3.757 1.00 0.00 C ATOM 876 C LEU A 57 -9.987 -0.977 -3.493 1.00 0.00 C ATOM 877 O LEU A 57 -10.146 -1.652 -2.475 1.00 0.00 O ATOM 878 CB LEU A 57 -11.506 0.141 -5.134 1.00 0.00 C ATOM 879 CG LEU A 57 -12.623 1.143 -5.428 1.00 0.00 C ATOM 880 CD1 LEU A 57 -12.787 1.334 -6.928 1.00 0.00 C ATOM 881 CD2 LEU A 57 -13.931 0.683 -4.801 1.00 0.00 C ATOM 0 H LEU A 57 -9.762 1.847 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.627 0.299 -2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.732 0.257 -5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.910 -0.865 -5.242 1.00 0.00 H new ATOM 0 HG LEU A 57 -12.350 2.102 -4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.586 2.050 -7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.855 1.709 -7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -13.037 0.380 -7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.715 1.408 -5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -14.210 -0.288 -5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -13.807 0.598 -3.721 1.00 0.00 H new ATOM 893 N SER A 58 -9.071 -1.260 -4.413 1.00 0.00 N ATOM 894 CA SER A 58 -8.183 -2.409 -4.280 1.00 0.00 C ATOM 895 C SER A 58 -7.568 -2.462 -2.884 1.00 0.00 C ATOM 896 O SER A 58 -7.597 -3.497 -2.219 1.00 0.00 O ATOM 897 CB SER A 58 -7.076 -2.351 -5.335 1.00 0.00 C ATOM 898 OG SER A 58 -6.940 -3.594 -6.001 1.00 0.00 O ATOM 0 H SER A 58 -8.924 -0.709 -5.259 1.00 0.00 H new ATOM 0 HA SER A 58 -8.774 -3.312 -4.433 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.301 -1.569 -6.060 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.132 -2.084 -4.861 1.00 0.00 H new ATOM 0 HG SER A 58 -6.480 -3.459 -6.856 1.00 0.00 H new ATOM 904 N ALA A 59 -7.011 -1.337 -2.447 1.00 0.00 N ATOM 905 CA ALA A 59 -6.391 -1.253 -1.130 1.00 0.00 C ATOM 906 C ALA A 59 -7.144 -2.103 -0.114 1.00 0.00 C ATOM 907 O ALA A 59 -6.538 -2.741 0.746 1.00 0.00 O ATOM 908 CB ALA A 59 -6.329 0.195 -0.668 1.00 0.00 C ATOM 0 H ALA A 59 -6.976 -0.471 -2.986 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.376 -1.642 -1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.864 0.243 0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.740 0.778 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.338 0.603 -0.613 1.00 0.00 H new ATOM 914 N ALA A 60 -8.470 -2.105 -0.218 1.00 0.00 N ATOM 915 CA ALA A 60 -9.305 -2.879 0.694 1.00 0.00 C ATOM 916 C ALA A 60 -9.172 -4.374 0.425 1.00 0.00 C ATOM 917 O ALA A 60 -8.722 -5.131 1.285 1.00 0.00 O ATOM 918 CB ALA A 60 -10.759 -2.446 0.571 1.00 0.00 C ATOM 0 H ALA A 60 -8.988 -1.581 -0.923 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.964 -2.688 1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.372 -3.031 1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.846 -1.388 0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.102 -2.608 -0.451 1.00 0.00 H new ATOM 924 N ASP A 61 -9.568 -4.793 -0.771 1.00 0.00 N ATOM 925 CA ASP A 61 -9.492 -6.199 -1.153 1.00 0.00 C ATOM 926 C ASP A 61 -8.138 -6.792 -0.775 1.00 0.00 C ATOM 927 O ASP A 61 -8.038 -7.973 -0.445 1.00 0.00 O ATOM 928 CB ASP A 61 -9.729 -6.355 -2.655 1.00 0.00 C ATOM 929 CG ASP A 61 -10.949 -7.201 -2.964 1.00 0.00 C ATOM 930 OD1 ASP A 61 -12.072 -6.654 -2.943 1.00 0.00 O ATOM 931 OD2 ASP A 61 -10.780 -8.410 -3.228 1.00 0.00 O ATOM 0 H ASP A 61 -9.945 -4.180 -1.493 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.269 -6.739 -0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.850 -5.370 -3.105 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.850 -6.809 -3.113 1.00 0.00 H new ATOM 936 N ALA A 62 -7.100 -5.964 -0.826 1.00 0.00 N ATOM 937 CA ALA A 62 -5.753 -6.406 -0.489 1.00 0.00 C ATOM 938 C ALA A 62 -5.663 -6.825 0.975 1.00 0.00 C ATOM 939 O ALA A 62 -4.945 -7.764 1.319 1.00 0.00 O ATOM 940 CB ALA A 62 -4.745 -5.306 -0.787 1.00 0.00 C ATOM 0 H ALA A 62 -7.166 -4.983 -1.098 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.519 -7.275 -1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.743 -5.651 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.782 -5.056 -1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.987 -4.422 -0.197 1.00 0.00 H new ATOM 946 N ARG A 63 -6.397 -6.123 1.832 1.00 0.00 N ATOM 947 CA ARG A 63 -6.398 -6.422 3.259 1.00 0.00 C ATOM 948 C ARG A 63 -7.086 -7.755 3.536 1.00 0.00 C ATOM 949 O ARG A 63 -6.540 -8.617 4.224 1.00 0.00 O ATOM 950 CB ARG A 63 -7.098 -5.304 4.035 1.00 0.00 C ATOM 951 CG ARG A 63 -6.955 -5.428 5.543 1.00 0.00 C ATOM 952 CD ARG A 63 -7.277 -4.117 6.243 1.00 0.00 C ATOM 953 NE ARG A 63 -8.716 -3.916 6.395 1.00 0.00 N ATOM 954 CZ ARG A 63 -9.250 -2.945 7.126 1.00 0.00 C ATOM 955 NH1 ARG A 63 -8.468 -2.086 7.767 1.00 0.00 N ATOM 956 NH2 ARG A 63 -10.569 -2.828 7.216 1.00 0.00 N ATOM 0 H ARG A 63 -6.998 -5.344 1.563 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.362 -6.492 3.590 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.692 -4.344 3.718 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.157 -5.303 3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.620 -6.210 5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.938 -5.733 5.789 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.804 -4.105 7.225 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.853 -3.289 5.674 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.345 -4.557 5.913 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.454 -2.171 7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.881 -1.341 8.328 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.174 -3.485 6.723 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.978 -2.081 7.778 1.00 0.00 H new ATOM 970 N LEU A 64 -8.289 -7.916 2.995 1.00 0.00 N ATOM 971 CA LEU A 64 -9.054 -9.145 3.184 1.00 0.00 C ATOM 972 C LEU A 64 -8.316 -10.342 2.592 1.00 0.00 C ATOM 973 O LEU A 64 -8.391 -11.452 3.118 1.00 0.00 O ATOM 974 CB LEU A 64 -10.435 -9.013 2.538 1.00 0.00 C ATOM 975 CG LEU A 64 -10.582 -9.612 1.140 1.00 0.00 C ATOM 976 CD1 LEU A 64 -10.858 -11.106 1.225 1.00 0.00 C ATOM 977 CD2 LEU A 64 -11.690 -8.907 0.372 1.00 0.00 C ATOM 0 H LEU A 64 -8.756 -7.212 2.423 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.174 -9.309 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.167 -9.486 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.690 -7.955 2.487 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.645 -9.466 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.960 -11.515 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.032 -11.600 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.781 -11.275 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.781 -9.346 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.633 -9.021 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.451 -7.847 0.280 1.00 0.00 H new ATOM 989 N ARG A 65 -7.602 -10.107 1.495 1.00 0.00 N ATOM 990 CA ARG A 65 -6.849 -11.165 0.833 1.00 0.00 C ATOM 991 C ARG A 65 -5.490 -11.364 1.499 1.00 0.00 C ATOM 992 O ARG A 65 -4.719 -12.242 1.109 1.00 0.00 O ATOM 993 CB ARG A 65 -6.661 -10.835 -0.649 1.00 0.00 C ATOM 994 CG ARG A 65 -7.806 -11.308 -1.529 1.00 0.00 C ATOM 995 CD ARG A 65 -7.316 -11.717 -2.908 1.00 0.00 C ATOM 996 NE ARG A 65 -8.176 -12.727 -3.519 1.00 0.00 N ATOM 997 CZ ARG A 65 -7.943 -13.272 -4.707 1.00 0.00 C ATOM 998 NH1 ARG A 65 -6.881 -12.904 -5.411 1.00 0.00 N ATOM 999 NH2 ARG A 65 -8.772 -14.186 -5.195 1.00 0.00 N ATOM 0 H ARG A 65 -7.530 -9.194 1.047 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.416 -12.092 0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.550 -9.756 -0.761 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.734 -11.289 -0.999 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.306 -12.152 -1.054 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.545 -10.512 -1.625 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.274 -10.839 -3.553 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.300 -12.105 -2.831 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.002 -13.031 -3.004 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.242 -12.201 -5.040 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.704 -13.324 -6.324 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.590 -14.471 -4.657 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.591 -14.603 -6.108 1.00 0.00 H new ATOM 1013 N LEU A 66 -5.203 -10.544 2.503 1.00 0.00 N ATOM 1014 CA LEU A 66 -3.936 -10.628 3.222 1.00 0.00 C ATOM 1015 C LEU A 66 -4.141 -10.379 4.713 1.00 0.00 C ATOM 1016 O LEU A 66 -5.190 -10.702 5.269 1.00 0.00 O ATOM 1017 CB LEU A 66 -2.938 -9.618 2.657 1.00 0.00 C ATOM 1018 CG LEU A 66 -2.865 -9.527 1.132 1.00 0.00 C ATOM 1019 CD1 LEU A 66 -2.258 -8.199 0.705 1.00 0.00 C ATOM 1020 CD2 LEU A 66 -2.062 -10.689 0.566 1.00 0.00 C ATOM 0 H LEU A 66 -5.830 -9.813 2.838 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.537 -11.634 3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.189 -8.632 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.946 -9.868 3.034 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.878 -9.584 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.214 -8.152 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.873 -7.381 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.251 -8.111 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.021 -10.608 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.050 -10.663 0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.539 -11.629 0.842 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.129 -9.801 5.355 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.198 -9.507 6.781 1.00 0.00 C ATOM 1034 C HIS A 67 -2.793 -10.723 7.608 1.00 0.00 C ATOM 1035 O HIS A 67 -1.897 -11.477 7.226 1.00 0.00 O ATOM 1036 CB HIS A 67 -4.610 -9.063 7.164 1.00 0.00 C ATOM 1037 CG HIS A 67 -4.648 -8.138 8.342 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -3.518 -7.562 8.884 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -5.690 -7.687 9.079 1.00 0.00 C ATOM 1040 CE1 HIS A 67 -3.863 -6.799 9.906 1.00 0.00 C ATOM 1041 NE2 HIS A 67 -5.175 -6.857 10.046 1.00 0.00 N ATOM 0 H HIS A 67 -2.253 -9.528 4.910 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.500 -8.697 6.993 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -5.071 -8.568 6.309 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.212 -9.944 7.385 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -6.732 -7.933 8.934 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.187 -6.225 10.522 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.718 -6.366 10.756 1.00 0.00 H new ATOM 1049 N LYS A 68 -3.459 -10.910 8.743 1.00 0.00 N ATOM 1050 CA LYS A 68 -3.170 -12.035 9.624 1.00 0.00 C ATOM 1051 C LYS A 68 -2.810 -13.279 8.818 1.00 0.00 C ATOM 1052 O LYS A 68 -2.043 -14.128 9.274 1.00 0.00 O ATOM 1053 CB LYS A 68 -4.373 -12.327 10.524 1.00 0.00 C ATOM 1054 CG LYS A 68 -4.590 -11.285 11.607 1.00 0.00 C ATOM 1055 CD LYS A 68 -6.051 -11.202 12.016 1.00 0.00 C ATOM 1056 CE LYS A 68 -6.620 -9.813 11.770 1.00 0.00 C ATOM 1057 NZ LYS A 68 -7.538 -9.388 12.864 1.00 0.00 N ATOM 0 H LYS A 68 -4.203 -10.296 9.074 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.316 -11.767 10.246 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.270 -12.391 9.908 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.238 -13.302 10.992 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.981 -11.531 12.477 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.256 -10.311 11.249 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.629 -11.938 11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.149 -11.455 13.072 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.803 -9.096 11.682 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.156 -9.803 10.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.905 -8.437 12.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.331 -10.058 12.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.020 -9.373 13.766 1.00 0.00 H new ATOM 1071 N THR A 69 -3.368 -13.381 7.616 1.00 0.00 N ATOM 1072 CA THR A 69 -3.105 -14.521 6.746 1.00 0.00 C ATOM 1073 C THR A 69 -1.690 -15.052 6.947 1.00 0.00 C ATOM 1074 O THR A 69 -0.720 -14.299 6.874 1.00 0.00 O ATOM 1075 CB THR A 69 -3.297 -14.152 5.263 1.00 0.00 C ATOM 1076 OG1 THR A 69 -2.536 -12.980 4.947 1.00 0.00 O ATOM 1077 CG2 THR A 69 -4.767 -13.908 4.952 1.00 0.00 C ATOM 0 H THR A 69 -4.005 -12.688 7.223 1.00 0.00 H new ATOM 0 HA THR A 69 -3.822 -15.296 7.016 1.00 0.00 H new ATOM 0 HB THR A 69 -2.947 -14.986 4.655 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.338 -12.487 5.770 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.878 -13.649 3.899 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.339 -14.811 5.166 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.138 -13.089 5.568 1.00 0.00 H new ATOM 1085 N GLU A 70 -1.581 -16.353 7.199 1.00 0.00 N ATOM 1086 CA GLU A 70 -0.283 -16.983 7.410 1.00 0.00 C ATOM 1087 C GLU A 70 0.544 -16.969 6.127 1.00 0.00 C ATOM 1088 O GLU A 70 0.493 -17.908 5.333 1.00 0.00 O ATOM 1089 CB GLU A 70 -0.463 -18.422 7.898 1.00 0.00 C ATOM 1090 CG GLU A 70 -0.185 -18.600 9.381 1.00 0.00 C ATOM 1091 CD GLU A 70 -0.496 -20.002 9.869 1.00 0.00 C ATOM 1092 OE1 GLU A 70 -1.662 -20.430 9.736 1.00 0.00 O ATOM 1093 OE2 GLU A 70 0.424 -20.671 10.382 1.00 0.00 O ATOM 0 H GLU A 70 -2.375 -16.990 7.262 1.00 0.00 H new ATOM 0 HA GLU A 70 0.249 -16.413 8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.483 -18.744 7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.201 -19.075 7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.863 -18.374 9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.779 -17.882 9.947 1.00 0.00 H new ATOM 1100 N PHE A 71 1.303 -15.896 5.931 1.00 0.00 N ATOM 1101 CA PHE A 71 2.139 -15.759 4.744 1.00 0.00 C ATOM 1102 C PHE A 71 3.381 -16.640 4.849 1.00 0.00 C ATOM 1103 O PHE A 71 4.316 -16.329 5.589 1.00 0.00 O ATOM 1104 CB PHE A 71 2.551 -14.298 4.552 1.00 0.00 C ATOM 1105 CG PHE A 71 3.631 -14.111 3.525 1.00 0.00 C ATOM 1106 CD1 PHE A 71 3.337 -14.173 2.172 1.00 0.00 C ATOM 1107 CD2 PHE A 71 4.940 -13.872 3.911 1.00 0.00 C ATOM 1108 CE1 PHE A 71 4.328 -14.001 1.224 1.00 0.00 C ATOM 1109 CE2 PHE A 71 5.935 -13.698 2.968 1.00 0.00 C ATOM 1110 CZ PHE A 71 5.629 -13.764 1.622 1.00 0.00 C ATOM 0 H PHE A 71 1.356 -15.109 6.578 1.00 0.00 H new ATOM 0 HA PHE A 71 1.558 -16.083 3.880 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.676 -13.718 4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.894 -13.897 5.506 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.321 -14.358 1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.186 -13.821 4.961 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.085 -14.052 0.173 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.951 -13.511 3.283 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.405 -13.631 0.883 1.00 0.00 H new ATOM 1120 N LEU A 72 3.384 -17.740 4.104 1.00 0.00 N ATOM 1121 CA LEU A 72 4.509 -18.668 4.113 1.00 0.00 C ATOM 1122 C LEU A 72 4.775 -19.189 5.522 1.00 0.00 C ATOM 1123 O LEU A 72 5.889 -19.601 5.842 1.00 0.00 O ATOM 1124 CB LEU A 72 5.762 -17.984 3.564 1.00 0.00 C ATOM 1125 CG LEU A 72 5.982 -18.096 2.055 1.00 0.00 C ATOM 1126 CD1 LEU A 72 6.007 -16.717 1.416 1.00 0.00 C ATOM 1127 CD2 LEU A 72 7.272 -18.848 1.758 1.00 0.00 C ATOM 0 H LEU A 72 2.619 -18.011 3.486 1.00 0.00 H new ATOM 0 HA LEU A 72 4.255 -19.515 3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.719 -16.927 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.632 -18.404 4.070 1.00 0.00 H new ATOM 0 HG LEU A 72 5.152 -18.657 1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.165 -16.816 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.057 -16.214 1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.817 -16.130 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.412 -18.918 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.114 -18.315 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.215 -19.850 2.182 1.00 0.00 H new ATOM 1139 N GLY A 73 3.742 -19.168 6.359 1.00 0.00 N ATOM 1140 CA GLY A 73 3.885 -19.643 7.723 1.00 0.00 C ATOM 1141 C GLY A 73 3.981 -18.509 8.725 1.00 0.00 C ATOM 1142 O GLY A 73 3.745 -18.702 9.917 1.00 0.00 O ATOM 0 H GLY A 73 2.810 -18.831 6.117 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.034 -20.276 7.975 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.777 -20.265 7.796 1.00 0.00 H new ATOM 1146 N LYS A 74 4.332 -17.322 8.240 1.00 0.00 N ATOM 1147 CA LYS A 74 4.461 -16.152 9.101 1.00 0.00 C ATOM 1148 C LYS A 74 3.235 -15.251 8.979 1.00 0.00 C ATOM 1149 O LYS A 74 2.713 -15.043 7.886 1.00 0.00 O ATOM 1150 CB LYS A 74 5.723 -15.365 8.741 1.00 0.00 C ATOM 1151 CG LYS A 74 7.007 -16.022 9.219 1.00 0.00 C ATOM 1152 CD LYS A 74 7.497 -15.405 10.518 1.00 0.00 C ATOM 1153 CE LYS A 74 8.802 -16.036 10.976 1.00 0.00 C ATOM 1154 NZ LYS A 74 9.971 -15.156 10.700 1.00 0.00 N ATOM 0 H LYS A 74 4.532 -17.145 7.256 1.00 0.00 H new ATOM 0 HA LYS A 74 4.537 -16.496 10.132 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.768 -15.243 7.659 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.654 -14.366 9.172 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.839 -17.089 9.362 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.776 -15.920 8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.638 -14.333 10.382 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.739 -15.532 11.291 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.749 -16.245 12.045 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.940 -16.992 10.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.793 -15.491 11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.192 -15.181 9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.745 -14.181 10.981 1.00 0.00 H new ATOM 1168 N GLU A 75 2.784 -14.720 10.112 1.00 0.00 N ATOM 1169 CA GLU A 75 1.620 -13.842 10.131 1.00 0.00 C ATOM 1170 C GLU A 75 2.016 -12.406 9.796 1.00 0.00 C ATOM 1171 O GLU A 75 2.845 -11.804 10.478 1.00 0.00 O ATOM 1172 CB GLU A 75 0.941 -13.887 11.501 1.00 0.00 C ATOM 1173 CG GLU A 75 -0.224 -12.921 11.637 1.00 0.00 C ATOM 1174 CD GLU A 75 -0.319 -12.313 13.023 1.00 0.00 C ATOM 1175 OE1 GLU A 75 0.687 -11.736 13.486 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -1.397 -12.413 13.643 1.00 0.00 O ATOM 0 H GLU A 75 3.206 -14.882 11.026 1.00 0.00 H new ATOM 0 HA GLU A 75 0.919 -14.195 9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.585 -14.900 11.687 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.680 -13.662 12.270 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.118 -12.124 10.901 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.153 -13.444 11.409 1.00 0.00 H new ATOM 1183 N MET A 76 1.418 -11.864 8.739 1.00 0.00 N ATOM 1184 CA MET A 76 1.708 -10.500 8.314 1.00 0.00 C ATOM 1185 C MET A 76 0.574 -9.557 8.703 1.00 0.00 C ATOM 1186 O MET A 76 -0.600 -9.919 8.633 1.00 0.00 O ATOM 1187 CB MET A 76 1.931 -10.452 6.801 1.00 0.00 C ATOM 1188 CG MET A 76 1.784 -9.060 6.210 1.00 0.00 C ATOM 1189 SD MET A 76 0.273 -8.873 5.242 1.00 0.00 S ATOM 1190 CE MET A 76 0.559 -10.064 3.936 1.00 0.00 C ATOM 0 H MET A 76 0.730 -12.349 8.162 1.00 0.00 H new ATOM 0 HA MET A 76 2.617 -10.174 8.819 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.929 -10.830 6.577 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.220 -11.121 6.316 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.789 -8.325 7.015 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.645 -8.845 5.577 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.380 -9.594 2.969 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.590 -10.416 3.984 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.119 -10.909 4.059 1.00 0.00 H new ATOM 1200 N LYS A 77 0.934 -8.346 9.114 1.00 0.00 N ATOM 1201 CA LYS A 77 -0.052 -7.349 9.514 1.00 0.00 C ATOM 1202 C LYS A 77 -0.193 -6.265 8.450 1.00 0.00 C ATOM 1203 O LYS A 77 0.629 -6.165 7.538 1.00 0.00 O ATOM 1204 CB LYS A 77 0.343 -6.718 10.850 1.00 0.00 C ATOM 1205 CG LYS A 77 -0.253 -7.423 12.057 1.00 0.00 C ATOM 1206 CD LYS A 77 0.155 -6.748 13.356 1.00 0.00 C ATOM 1207 CE LYS A 77 0.692 -7.754 14.361 1.00 0.00 C ATOM 1208 NZ LYS A 77 2.171 -7.661 14.504 1.00 0.00 N ATOM 0 H LYS A 77 1.902 -8.031 9.179 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.013 -7.851 9.626 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.430 -6.723 10.937 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.027 -5.675 10.857 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.340 -7.430 11.975 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.072 -8.463 12.069 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.915 -5.994 13.152 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.703 -6.228 13.783 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.222 -7.585 15.330 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.420 -8.762 14.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.498 -8.363 15.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.621 -7.847 13.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.429 -6.707 14.829 1.00 0.00 H new ATOM 1222 N LEU A 78 -1.239 -5.455 8.571 1.00 0.00 N ATOM 1223 CA LEU A 78 -1.487 -4.378 7.620 1.00 0.00 C ATOM 1224 C LEU A 78 -2.172 -3.197 8.301 1.00 0.00 C ATOM 1225 O LEU A 78 -3.141 -3.371 9.042 1.00 0.00 O ATOM 1226 CB LEU A 78 -2.348 -4.882 6.461 1.00 0.00 C ATOM 1227 CG LEU A 78 -1.616 -5.669 5.374 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -2.517 -6.752 4.801 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -1.133 -4.737 4.273 1.00 0.00 C ATOM 0 H LEU A 78 -1.929 -5.524 9.319 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.526 -4.042 7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.138 -5.513 6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.834 -4.024 5.996 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.746 -6.148 5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.979 -7.302 4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.812 -7.437 5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.406 -6.294 4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.614 -5.315 3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.987 -4.228 3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.451 -3.999 4.695 1.00 0.00 H new ATOM 1241 N TYR A 79 -1.663 -1.997 8.046 1.00 0.00 N ATOM 1242 CA TYR A 79 -2.225 -0.787 8.634 1.00 0.00 C ATOM 1243 C TYR A 79 -2.454 0.282 7.569 1.00 0.00 C ATOM 1244 O TYR A 79 -1.549 0.618 6.806 1.00 0.00 O ATOM 1245 CB TYR A 79 -1.299 -0.247 9.724 1.00 0.00 C ATOM 1246 CG TYR A 79 -1.046 -1.228 10.845 1.00 0.00 C ATOM 1247 CD1 TYR A 79 -2.100 -1.790 11.553 1.00 0.00 C ATOM 1248 CD2 TYR A 79 0.248 -1.593 11.198 1.00 0.00 C ATOM 1249 CE1 TYR A 79 -1.875 -2.687 12.580 1.00 0.00 C ATOM 1250 CE2 TYR A 79 0.483 -2.490 12.222 1.00 0.00 C ATOM 1251 CZ TYR A 79 -0.581 -3.035 12.910 1.00 0.00 C ATOM 1252 OH TYR A 79 -0.350 -3.927 13.931 1.00 0.00 O ATOM 0 H TYR A 79 -0.862 -1.836 7.436 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.187 -1.043 9.078 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.346 0.031 9.274 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.733 0.662 10.140 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -3.114 -1.521 11.296 1.00 0.00 H new ATOM 0 HD2 TYR A 79 1.084 -1.168 10.662 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.707 -3.113 13.121 1.00 0.00 H new ATOM 0 HE2 TYR A 79 1.495 -2.763 12.483 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.205 -4.214 14.314 1.00 0.00 H new ATOM 1262 N PHE A 80 -3.672 0.811 7.525 1.00 0.00 N ATOM 1263 CA PHE A 80 -4.022 1.841 6.554 1.00 0.00 C ATOM 1264 C PHE A 80 -3.140 3.074 6.726 1.00 0.00 C ATOM 1265 O PHE A 80 -3.357 3.885 7.626 1.00 0.00 O ATOM 1266 CB PHE A 80 -5.495 2.231 6.700 1.00 0.00 C ATOM 1267 CG PHE A 80 -6.401 1.518 5.737 1.00 0.00 C ATOM 1268 CD1 PHE A 80 -6.774 0.202 5.960 1.00 0.00 C ATOM 1269 CD2 PHE A 80 -6.881 2.164 4.609 1.00 0.00 C ATOM 1270 CE1 PHE A 80 -7.608 -0.456 5.076 1.00 0.00 C ATOM 1271 CE2 PHE A 80 -7.716 1.511 3.722 1.00 0.00 C ATOM 1272 CZ PHE A 80 -8.079 0.200 3.955 1.00 0.00 C ATOM 0 H PHE A 80 -4.433 0.544 8.150 1.00 0.00 H new ATOM 0 HA PHE A 80 -3.857 1.434 5.556 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.820 2.018 7.718 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.594 3.306 6.552 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -6.409 -0.315 6.835 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.599 3.190 4.421 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.891 -1.482 5.261 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -8.084 2.026 2.847 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.730 -0.312 3.262 1.00 0.00 H new