USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 634 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 36 LYS NZ :NH3+ -173:sc= 1.05 (180deg=0) USER MOD Set 1.2: A 39 ASN : amide:sc= 0.892 K(o=1.9,f=-3.8!) USER MOD Set 2.1: A 18 THR OG1 : rot -12:sc= 1.01 USER MOD Set 2.2: A 21 THR OG1 : rot 132:sc= 2.5 USER MOD Single : A 0 GLY N :NH3+ 157:sc= 2.07 (180deg=1.29) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 19:sc= 0.086 USER MOD Single : A 17 THR OG1 : rot -140:sc= 0.282 USER MOD Single : A 20 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 27 SER OG : rot 73:sc= 1.22 USER MOD Single : A 28 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 35 SER OG : rot 43:sc= 0.316 USER MOD Single : A 43 THR OG1 : rot -59:sc= -0.142! USER MOD Single : A 46 SER OG : rot -166:sc= 0.904 USER MOD Single : A 53 THR OG1 : rot 78:sc= 2.48 USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= -1.45! (180deg=-2.39!) USER MOD Single : A 58 LYS NZ :NH3+ 155:sc= 0.613 (180deg=0.0288!) USER MOD Single : A 60 MET CE :methyl 172:sc= -1.65 (180deg=-2.02) USER MOD Single : A 67 MET CE :methyl -131:sc= -0.11 (180deg=-3.74!) USER MOD Single : A 68 ASN : amide:sc= 0.11 K(o=0.11,f=-5.2!) USER MOD Single : A 70 GLN : amide:sc= -0.201 K(o=-0.2,f=-0.95) USER MOD Single : A 76 ASN : amide:sc= 0.103 K(o=0.1,f=-3.2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.949 K(o=-0.95,f=-3.3!) USER MOD Single : A 83 GLN : amide:sc= -0.0698 K(o=-0.07,f=-2.3) USER MOD Single : A 84 SER OG : rot -97:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 16.077 2.065 5.580 1.00 0.00 N ATOM 2 CA GLY A 0 17.536 2.154 5.643 1.00 0.00 C ATOM 3 C GLY A 0 18.165 1.500 4.440 1.00 0.00 C ATOM 4 O GLY A 0 19.022 0.635 4.582 1.00 0.00 O ATOM 0 H1 GLY A 0 15.682 2.150 6.538 1.00 0.00 H new ATOM 0 H2 GLY A 0 15.708 2.833 4.984 1.00 0.00 H new ATOM 0 H3 GLY A 0 15.802 1.148 5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 0 17.839 3.200 5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 0 17.895 1.673 6.553 1.00 0.00 H new ATOM 10 N MET A 1 17.734 1.892 3.248 1.00 0.00 N ATOM 11 CA MET A 1 18.204 1.240 2.022 1.00 0.00 C ATOM 12 C MET A 1 18.586 2.229 0.910 1.00 0.00 C ATOM 13 O MET A 1 19.136 1.800 -0.123 1.00 0.00 O ATOM 14 CB MET A 1 17.137 0.267 1.482 1.00 0.00 C ATOM 15 CG MET A 1 16.842 -0.942 2.359 1.00 0.00 C ATOM 16 SD MET A 1 18.206 -2.119 2.408 1.00 0.00 S ATOM 17 CE MET A 1 17.548 -3.337 3.549 1.00 0.00 C ATOM 0 H MET A 1 17.067 2.649 3.099 1.00 0.00 H new ATOM 0 HA MET A 1 19.108 0.699 2.303 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.210 0.820 1.333 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.457 -0.087 0.502 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.622 -0.605 3.372 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.948 -1.444 1.989 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.276 -4.137 3.687 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.343 -2.863 4.509 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.625 -3.752 3.145 1.00 0.00 H new ATOM 27 N ALA A 2 18.308 3.524 1.099 1.00 0.00 N ATOM 28 CA ALA A 2 18.584 4.538 0.057 1.00 0.00 C ATOM 29 C ALA A 2 18.629 5.926 0.652 1.00 0.00 C ATOM 30 O ALA A 2 19.504 6.727 0.337 1.00 0.00 O ATOM 31 CB ALA A 2 17.541 4.475 -1.060 1.00 0.00 C ATOM 0 H ALA A 2 17.896 3.899 1.953 1.00 0.00 H new ATOM 0 HA ALA A 2 19.561 4.314 -0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 2 17.767 5.231 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 2 17.560 3.487 -1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 2 16.551 4.662 -0.644 1.00 0.00 H new ATOM 37 N GLU A 3 17.651 6.170 1.471 1.00 0.00 N ATOM 38 CA GLU A 3 17.453 7.377 2.259 1.00 0.00 C ATOM 39 C GLU A 3 16.690 8.464 1.527 1.00 0.00 C ATOM 40 O GLU A 3 17.242 9.434 1.014 1.00 0.00 O ATOM 41 CB GLU A 3 18.697 7.865 3.035 1.00 0.00 C ATOM 42 CG GLU A 3 19.253 6.798 3.983 1.00 0.00 C ATOM 43 CD GLU A 3 18.147 6.104 4.744 1.00 0.00 C ATOM 44 OE1 GLU A 3 17.462 6.751 5.550 1.00 0.00 O1- ATOM 45 OE2 GLU A 3 17.859 4.922 4.461 1.00 0.00 O ATOM 0 H GLU A 3 16.909 5.488 1.627 1.00 0.00 H new ATOM 0 HA GLU A 3 16.782 7.066 3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 3 19.472 8.156 2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.438 8.756 3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.821 6.063 3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 3 19.946 7.260 4.686 1.00 0.00 H new ATOM 52 N VAL A 4 15.397 8.226 1.449 1.00 0.00 N ATOM 53 CA VAL A 4 14.417 9.070 0.812 1.00 0.00 C ATOM 54 C VAL A 4 13.070 8.447 1.212 1.00 0.00 C ATOM 55 O VAL A 4 13.059 7.686 2.178 1.00 0.00 O ATOM 56 CB VAL A 4 14.663 9.055 -0.744 1.00 0.00 C ATOM 57 CG1 VAL A 4 14.407 7.698 -1.363 1.00 0.00 C ATOM 58 CG2 VAL A 4 13.942 10.182 -1.488 1.00 0.00 C ATOM 0 H VAL A 4 14.981 7.387 1.854 1.00 0.00 H new ATOM 0 HA VAL A 4 14.459 10.117 1.111 1.00 0.00 H new ATOM 0 HB VAL A 4 15.727 9.257 -0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 4 14.592 7.747 -2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 4 15.073 6.961 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.372 7.407 -1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 4 14.157 10.110 -2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.867 10.095 -1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 4 14.288 11.145 -1.113 1.00 0.00 H new ATOM 68 N GLU A 5 11.978 8.808 0.579 1.00 0.00 N ATOM 69 CA GLU A 5 10.694 8.139 0.810 1.00 0.00 C ATOM 70 C GLU A 5 10.230 7.461 -0.473 1.00 0.00 C ATOM 71 O GLU A 5 10.533 7.937 -1.577 1.00 0.00 O ATOM 72 CB GLU A 5 9.588 9.106 1.292 1.00 0.00 C ATOM 73 CG GLU A 5 9.294 10.268 0.343 1.00 0.00 C ATOM 74 CD GLU A 5 7.808 10.540 0.177 1.00 0.00 C ATOM 75 OE1 GLU A 5 7.135 10.901 1.157 1.00 0.00 O ATOM 76 OE2 GLU A 5 7.282 10.378 -0.950 1.00 0.00 O1- ATOM 0 H GLU A 5 11.941 9.563 -0.105 1.00 0.00 H new ATOM 0 HA GLU A 5 10.860 7.407 1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.670 8.539 1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.877 9.511 2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.782 11.168 0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.729 10.052 -0.633 1.00 0.00 H new ATOM 83 N TYR A 6 9.534 6.358 -0.338 1.00 0.00 N ATOM 84 CA TYR A 6 8.956 5.666 -1.466 1.00 0.00 C ATOM 85 C TYR A 6 7.482 5.434 -1.254 1.00 0.00 C ATOM 86 O TYR A 6 7.012 5.348 -0.128 1.00 0.00 O ATOM 87 CB TYR A 6 9.704 4.378 -1.820 1.00 0.00 C ATOM 88 CG TYR A 6 10.848 4.608 -2.785 1.00 0.00 C ATOM 89 CD1 TYR A 6 12.085 5.046 -2.354 1.00 0.00 C ATOM 90 CD2 TYR A 6 10.670 4.405 -4.143 1.00 0.00 C ATOM 91 CE1 TYR A 6 13.109 5.270 -3.251 1.00 0.00 C ATOM 92 CE2 TYR A 6 11.687 4.629 -5.042 1.00 0.00 C ATOM 93 CZ TYR A 6 12.901 5.061 -4.592 1.00 0.00 C ATOM 94 OH TYR A 6 13.914 5.281 -5.485 1.00 0.00 O ATOM 0 H TYR A 6 9.351 5.913 0.561 1.00 0.00 H new ATOM 0 HA TYR A 6 9.068 6.315 -2.335 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.091 3.926 -0.907 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.004 3.666 -2.257 1.00 0.00 H new ATOM 0 HD1 TYR A 6 12.253 5.215 -1.301 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.711 4.063 -4.505 1.00 0.00 H new ATOM 0 HE1 TYR A 6 14.072 5.609 -2.899 1.00 0.00 H new ATOM 0 HE2 TYR A 6 11.526 4.464 -6.097 1.00 0.00 H new ATOM 0 HH TYR A 6 13.599 5.084 -6.392 1.00 0.00 H new ATOM 104 N ARG A 7 6.758 5.316 -2.320 1.00 0.00 N ATOM 105 CA ARG A 7 5.334 5.264 -2.246 1.00 0.00 C ATOM 106 C ARG A 7 4.825 4.103 -3.083 1.00 0.00 C ATOM 107 O ARG A 7 5.277 3.881 -4.201 1.00 0.00 O ATOM 108 CB ARG A 7 4.816 6.602 -2.765 1.00 0.00 C ATOM 109 CG ARG A 7 3.335 6.922 -2.598 1.00 0.00 C ATOM 110 CD ARG A 7 2.851 6.911 -1.132 1.00 0.00 C ATOM 111 NE ARG A 7 3.585 7.766 -0.110 1.00 0.00 N ATOM 112 CZ ARG A 7 4.504 8.798 -0.228 1.00 0.00 C ATOM 113 NH1 ARG A 7 4.885 9.313 -1.388 1.00 0.00 N1+ ATOM 114 NH2 ARG A 7 4.992 9.322 0.882 1.00 0.00 N ATOM 0 H ARG A 7 7.137 5.253 -3.265 1.00 0.00 H new ATOM 0 HA ARG A 7 4.984 5.103 -1.226 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.383 7.391 -2.272 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.050 6.658 -3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.135 7.903 -3.028 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.751 6.199 -3.168 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.805 7.217 -1.128 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.882 5.879 -0.782 1.00 0.00 H new ATOM 0 HE ARG A 7 3.355 7.534 0.856 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.498 8.950 -2.259 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.566 10.072 -1.410 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.691 8.966 1.789 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.670 10.082 0.832 1.00 0.00 H new ATOM 128 N CYS A 8 3.941 3.356 -2.536 1.00 0.00 N ATOM 129 CA CYS A 8 3.362 2.247 -3.219 1.00 0.00 C ATOM 130 C CYS A 8 1.891 2.506 -3.413 1.00 0.00 C ATOM 131 O CYS A 8 1.250 3.147 -2.566 1.00 0.00 O ATOM 132 CB CYS A 8 3.580 0.968 -2.416 1.00 0.00 C ATOM 133 SG CYS A 8 2.926 -0.536 -3.167 1.00 0.00 S ATOM 0 H CYS A 8 3.590 3.494 -1.588 1.00 0.00 H new ATOM 0 HA CYS A 8 3.837 2.123 -4.192 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.650 0.838 -2.255 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.123 1.093 -1.434 1.00 0.00 H new ATOM 0 HG CYS A 8 2.730 -0.337 -4.437 1.00 0.00 H new ATOM 139 N PHE A 9 1.381 2.056 -4.519 1.00 0.00 N ATOM 140 CA PHE A 9 -0.005 2.169 -4.838 1.00 0.00 C ATOM 141 C PHE A 9 -0.589 0.785 -4.739 1.00 0.00 C ATOM 142 O PHE A 9 -0.081 -0.149 -5.369 1.00 0.00 O ATOM 143 CB PHE A 9 -0.175 2.736 -6.268 1.00 0.00 C ATOM 144 CG PHE A 9 -1.608 2.812 -6.758 1.00 0.00 C ATOM 145 CD1 PHE A 9 -2.375 3.935 -6.520 1.00 0.00 C ATOM 146 CD2 PHE A 9 -2.179 1.761 -7.464 1.00 0.00 C ATOM 147 CE1 PHE A 9 -3.677 4.014 -6.974 1.00 0.00 C ATOM 148 CE2 PHE A 9 -3.479 1.832 -7.917 1.00 0.00 C ATOM 149 CZ PHE A 9 -4.230 2.960 -7.672 1.00 0.00 C ATOM 0 H PHE A 9 1.932 1.590 -5.240 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.515 2.849 -4.155 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.258 3.736 -6.301 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.398 2.117 -6.959 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.951 4.763 -5.971 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.595 0.874 -7.661 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.263 4.901 -6.783 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.908 1.005 -8.463 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.249 3.019 -8.025 1.00 0.00 H new ATOM 159 N VAL A 10 -1.580 0.622 -3.919 1.00 0.00 N ATOM 160 CA VAL A 10 -2.203 -0.657 -3.789 1.00 0.00 C ATOM 161 C VAL A 10 -3.667 -0.500 -4.127 1.00 0.00 C ATOM 162 O VAL A 10 -4.408 0.171 -3.414 1.00 0.00 O ATOM 163 CB VAL A 10 -2.057 -1.239 -2.352 1.00 0.00 C ATOM 164 CG1 VAL A 10 -2.541 -2.677 -2.303 1.00 0.00 C ATOM 165 CG2 VAL A 10 -0.618 -1.144 -1.854 1.00 0.00 C ATOM 0 H VAL A 10 -1.974 1.357 -3.331 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.713 -1.355 -4.468 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.680 -0.638 -1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.430 -3.064 -1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.591 -2.718 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.950 -3.283 -2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.553 -1.559 -0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.036 -1.705 -2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.307 -0.099 -1.836 1.00 0.00 H new ATOM 175 N GLY A 11 -4.070 -1.103 -5.196 1.00 0.00 N ATOM 176 CA GLY A 11 -5.422 -1.020 -5.637 1.00 0.00 C ATOM 177 C GLY A 11 -6.059 -2.370 -5.705 1.00 0.00 C ATOM 178 O GLY A 11 -5.365 -3.388 -5.720 1.00 0.00 O ATOM 0 H GLY A 11 -3.467 -1.670 -5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.989 -0.383 -4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.457 -0.550 -6.620 1.00 0.00 H new ATOM 182 N GLY A 12 -7.366 -2.395 -5.727 1.00 0.00 N ATOM 183 CA GLY A 12 -8.063 -3.643 -5.794 1.00 0.00 C ATOM 184 C GLY A 12 -8.124 -4.281 -4.442 1.00 0.00 C ATOM 185 O GLY A 12 -7.870 -5.463 -4.300 1.00 0.00 O ATOM 0 H GLY A 12 -7.962 -1.568 -5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.072 -3.483 -6.173 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.561 -4.310 -6.495 1.00 0.00 H new ATOM 189 N LEU A 13 -8.432 -3.473 -3.465 1.00 0.00 N ATOM 190 CA LEU A 13 -8.554 -3.890 -2.090 1.00 0.00 C ATOM 191 C LEU A 13 -10.005 -4.206 -1.801 1.00 0.00 C ATOM 192 O LEU A 13 -10.873 -4.008 -2.661 1.00 0.00 O ATOM 193 CB LEU A 13 -8.084 -2.764 -1.163 1.00 0.00 C ATOM 194 CG LEU A 13 -6.625 -2.327 -1.304 1.00 0.00 C ATOM 195 CD1 LEU A 13 -6.357 -1.125 -0.451 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.702 -3.440 -0.897 1.00 0.00 C ATOM 0 H LEU A 13 -8.610 -2.478 -3.604 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.939 -4.773 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.718 -1.894 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.247 -3.080 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.445 -2.076 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.315 -0.825 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.005 -0.306 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.556 -1.368 0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.668 -3.112 -1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.892 -3.709 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.875 -4.307 -1.534 1.00 0.00 H new ATOM 208 N ALA A 14 -10.278 -4.689 -0.620 1.00 0.00 N ATOM 209 CA ALA A 14 -11.623 -4.986 -0.242 1.00 0.00 C ATOM 210 C ALA A 14 -12.257 -3.727 0.309 1.00 0.00 C ATOM 211 O ALA A 14 -11.558 -2.779 0.684 1.00 0.00 O ATOM 212 CB ALA A 14 -11.659 -6.105 0.790 1.00 0.00 C ATOM 0 H ALA A 14 -9.580 -4.884 0.097 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.182 -5.328 -1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.693 -6.315 1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.206 -7.003 0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.104 -5.800 1.677 1.00 0.00 H new ATOM 218 N TRP A 15 -13.566 -3.714 0.398 1.00 0.00 N ATOM 219 CA TRP A 15 -14.279 -2.540 0.893 1.00 0.00 C ATOM 220 C TRP A 15 -14.141 -2.419 2.404 1.00 0.00 C ATOM 221 O TRP A 15 -14.576 -1.438 2.994 1.00 0.00 O ATOM 222 CB TRP A 15 -15.761 -2.588 0.512 1.00 0.00 C ATOM 223 CG TRP A 15 -16.012 -2.767 -0.954 1.00 0.00 C ATOM 224 CD1 TRP A 15 -16.682 -3.797 -1.540 1.00 0.00 C ATOM 225 CD2 TRP A 15 -15.576 -1.911 -2.025 1.00 0.00 C ATOM 226 NE1 TRP A 15 -16.712 -3.627 -2.900 1.00 0.00 N ATOM 227 CE2 TRP A 15 -16.038 -2.484 -3.224 1.00 0.00 C ATOM 228 CE3 TRP A 15 -14.850 -0.718 -2.087 1.00 0.00 C ATOM 229 CZ2 TRP A 15 -15.799 -1.907 -4.467 1.00 0.00 C ATOM 230 CZ3 TRP A 15 -14.613 -0.151 -3.324 1.00 0.00 C ATOM 231 CH2 TRP A 15 -15.085 -0.745 -4.495 1.00 0.00 C ATOM 0 H TRP A 15 -14.166 -4.497 0.137 1.00 0.00 H new ATOM 0 HA TRP A 15 -13.829 -1.665 0.424 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -16.238 -3.405 1.053 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -16.239 -1.666 0.841 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -17.125 -4.627 -1.011 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -17.166 -4.254 -3.564 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -14.482 -0.249 -1.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -16.165 -2.362 -5.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -14.052 0.770 -3.386 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -14.880 -0.274 -5.445 1.00 0.00 H new ATOM 242 N ALA A 16 -13.550 -3.434 3.006 1.00 0.00 N ATOM 243 CA ALA A 16 -13.340 -3.478 4.430 1.00 0.00 C ATOM 244 C ALA A 16 -11.853 -3.417 4.763 1.00 0.00 C ATOM 245 O ALA A 16 -11.484 -3.470 5.927 1.00 0.00 O ATOM 246 CB ALA A 16 -13.967 -4.737 5.014 1.00 0.00 C ATOM 0 H ALA A 16 -13.201 -4.255 2.511 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.821 -2.607 4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.802 -4.760 6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.038 -4.738 4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.510 -5.616 4.559 1.00 0.00 H new ATOM 252 N THR A 17 -11.007 -3.299 3.732 1.00 0.00 N ATOM 253 CA THR A 17 -9.578 -3.211 3.942 1.00 0.00 C ATOM 254 C THR A 17 -9.244 -1.929 4.683 1.00 0.00 C ATOM 255 O THR A 17 -9.620 -0.815 4.251 1.00 0.00 O ATOM 256 CB THR A 17 -8.796 -3.290 2.606 1.00 0.00 C ATOM 257 OG1 THR A 17 -9.056 -4.555 1.984 1.00 0.00 O ATOM 258 CG2 THR A 17 -7.292 -3.149 2.831 1.00 0.00 C ATOM 0 H THR A 17 -11.296 -3.263 2.754 1.00 0.00 H new ATOM 0 HA THR A 17 -9.272 -4.065 4.546 1.00 0.00 H new ATOM 0 HB THR A 17 -9.127 -2.471 1.968 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.229 -4.901 1.587 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.774 -3.209 1.874 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.083 -2.186 3.297 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.945 -3.951 3.482 1.00 0.00 H new ATOM 266 N THR A 18 -8.573 -2.081 5.788 1.00 0.00 N ATOM 267 CA THR A 18 -8.244 -0.985 6.625 1.00 0.00 C ATOM 268 C THR A 18 -6.791 -0.607 6.446 1.00 0.00 C ATOM 269 O THR A 18 -6.003 -1.361 5.863 1.00 0.00 O ATOM 270 CB THR A 18 -8.500 -1.327 8.106 1.00 0.00 C ATOM 271 OG1 THR A 18 -7.747 -2.490 8.479 1.00 0.00 O ATOM 272 CG2 THR A 18 -9.980 -1.570 8.370 1.00 0.00 C ATOM 0 H THR A 18 -8.240 -2.983 6.129 1.00 0.00 H new ATOM 0 HA THR A 18 -8.878 -0.145 6.341 1.00 0.00 H new ATOM 0 HB THR A 18 -8.180 -0.475 8.706 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.390 -2.921 7.674 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.127 -1.809 9.423 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.546 -0.673 8.119 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.327 -2.402 7.757 1.00 0.00 H new ATOM 280 N ASP A 19 -6.444 0.556 6.920 1.00 0.00 N ATOM 281 CA ASP A 19 -5.079 1.034 6.885 1.00 0.00 C ATOM 282 C ASP A 19 -4.190 0.206 7.781 1.00 0.00 C ATOM 283 O ASP A 19 -3.034 -0.053 7.442 1.00 0.00 O ATOM 284 CB ASP A 19 -5.004 2.526 7.209 1.00 0.00 C ATOM 285 CG ASP A 19 -5.966 2.949 8.291 1.00 0.00 C ATOM 286 OD1 ASP A 19 -5.904 2.408 9.395 1.00 0.00 O1- ATOM 287 OD2 ASP A 19 -6.854 3.779 7.984 1.00 0.00 O ATOM 0 H ASP A 19 -7.101 1.209 7.346 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.705 0.915 5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.988 2.773 7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.210 3.098 6.305 1.00 0.00 H new ATOM 292 N GLN A 20 -4.732 -0.233 8.902 1.00 0.00 N ATOM 293 CA GLN A 20 -4.019 -1.141 9.780 1.00 0.00 C ATOM 294 C GLN A 20 -3.708 -2.467 9.083 1.00 0.00 C ATOM 295 O GLN A 20 -2.537 -2.810 8.942 1.00 0.00 O ATOM 296 CB GLN A 20 -4.725 -1.330 11.135 1.00 0.00 C ATOM 297 CG GLN A 20 -6.192 -1.734 11.069 1.00 0.00 C ATOM 298 CD GLN A 20 -6.825 -1.921 12.441 1.00 0.00 C ATOM 299 OE1 GLN A 20 -6.335 -1.209 13.428 1.00 0.00 O flip ATOM 300 NE2 GLN A 20 -7.750 -2.700 12.611 1.00 0.00 N flip ATOM 0 H GLN A 20 -5.664 0.025 9.226 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.061 -0.675 10.012 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.184 -2.088 11.702 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.649 -0.398 11.695 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.747 -0.973 10.520 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.281 -2.663 10.505 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.112 -3.241 11.826 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.161 -2.809 13.538 1.00 0.00 H new ATOM 309 N THR A 21 -4.739 -3.151 8.555 1.00 0.00 N ATOM 310 CA THR A 21 -4.531 -4.438 7.869 1.00 0.00 C ATOM 311 C THR A 21 -3.569 -4.297 6.675 1.00 0.00 C ATOM 312 O THR A 21 -2.803 -5.213 6.357 1.00 0.00 O ATOM 313 CB THR A 21 -5.873 -5.143 7.448 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.729 -4.271 6.658 1.00 0.00 O ATOM 315 CG2 THR A 21 -6.634 -5.629 8.674 1.00 0.00 C ATOM 0 H THR A 21 -5.710 -2.840 8.589 1.00 0.00 H new ATOM 0 HA THR A 21 -4.062 -5.094 8.602 1.00 0.00 H new ATOM 0 HB THR A 21 -5.598 -5.996 6.827 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.046 -4.754 5.866 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.559 -6.113 8.360 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.020 -6.342 9.225 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.869 -4.780 9.316 1.00 0.00 H new ATOM 323 N LEU A 22 -3.593 -3.128 6.052 1.00 0.00 N ATOM 324 CA LEU A 22 -2.692 -2.795 4.963 1.00 0.00 C ATOM 325 C LEU A 22 -1.249 -2.689 5.495 1.00 0.00 C ATOM 326 O LEU A 22 -0.338 -3.393 5.034 1.00 0.00 O ATOM 327 CB LEU A 22 -3.099 -1.439 4.371 1.00 0.00 C ATOM 328 CG LEU A 22 -2.332 -0.959 3.139 1.00 0.00 C ATOM 329 CD1 LEU A 22 -2.718 -1.763 1.908 1.00 0.00 C ATOM 330 CD2 LEU A 22 -2.551 0.531 2.918 1.00 0.00 C ATOM 0 H LEU A 22 -4.244 -2.380 6.291 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.746 -3.572 4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.157 -1.486 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.994 -0.684 5.150 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.268 -1.120 3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.158 -1.401 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.488 -2.815 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.786 -1.650 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.997 0.853 2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.613 0.725 2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.200 1.084 3.789 1.00 0.00 H new ATOM 342 N GLY A 23 -1.075 -1.831 6.488 1.00 0.00 N ATOM 343 CA GLY A 23 0.226 -1.542 7.044 1.00 0.00 C ATOM 344 C GLY A 23 0.890 -2.729 7.692 1.00 0.00 C ATOM 345 O GLY A 23 2.059 -3.011 7.407 1.00 0.00 O ATOM 0 H GLY A 23 -1.838 -1.317 6.928 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.873 -1.164 6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.126 -0.746 7.782 1.00 0.00 H new ATOM 349 N GLU A 24 0.149 -3.443 8.527 1.00 0.00 N ATOM 350 CA GLU A 24 0.673 -4.591 9.273 1.00 0.00 C ATOM 351 C GLU A 24 1.241 -5.652 8.335 1.00 0.00 C ATOM 352 O GLU A 24 2.318 -6.199 8.582 1.00 0.00 O ATOM 353 CB GLU A 24 -0.415 -5.182 10.173 1.00 0.00 C ATOM 354 CG GLU A 24 -0.906 -4.216 11.244 1.00 0.00 C ATOM 355 CD GLU A 24 -2.067 -4.762 12.044 1.00 0.00 C ATOM 356 OE1 GLU A 24 -3.226 -4.536 11.635 1.00 0.00 O ATOM 357 OE2 GLU A 24 -1.824 -5.403 13.082 1.00 0.00 O1- ATOM 0 H GLU A 24 -0.835 -3.247 8.711 1.00 0.00 H new ATOM 0 HA GLU A 24 1.491 -4.240 9.902 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.260 -5.488 9.556 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.029 -6.081 10.654 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.083 -3.983 11.920 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.205 -3.280 10.772 1.00 0.00 H new ATOM 364 N ALA A 25 0.549 -5.882 7.230 1.00 0.00 N ATOM 365 CA ALA A 25 0.967 -6.860 6.245 1.00 0.00 C ATOM 366 C ALA A 25 2.302 -6.461 5.605 1.00 0.00 C ATOM 367 O ALA A 25 3.259 -7.246 5.581 1.00 0.00 O ATOM 368 CB ALA A 25 -0.106 -7.024 5.180 1.00 0.00 C ATOM 0 H ALA A 25 -0.316 -5.396 6.994 1.00 0.00 H new ATOM 0 HA ALA A 25 1.109 -7.815 6.751 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.220 -7.761 4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.032 -7.360 5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.275 -6.068 4.684 1.00 0.00 H new ATOM 374 N PHE A 26 2.385 -5.227 5.140 1.00 0.00 N ATOM 375 CA PHE A 26 3.584 -4.756 4.465 1.00 0.00 C ATOM 376 C PHE A 26 4.760 -4.538 5.412 1.00 0.00 C ATOM 377 O PHE A 26 5.904 -4.513 4.971 1.00 0.00 O ATOM 378 CB PHE A 26 3.319 -3.514 3.613 1.00 0.00 C ATOM 379 CG PHE A 26 2.441 -3.775 2.422 1.00 0.00 C ATOM 380 CD1 PHE A 26 2.880 -4.595 1.399 1.00 0.00 C ATOM 381 CD2 PHE A 26 1.186 -3.211 2.326 1.00 0.00 C ATOM 382 CE1 PHE A 26 2.084 -4.850 0.305 1.00 0.00 C ATOM 383 CE2 PHE A 26 0.384 -3.460 1.231 1.00 0.00 C ATOM 384 CZ PHE A 26 0.834 -4.280 0.220 1.00 0.00 C ATOM 0 H PHE A 26 1.640 -4.534 5.216 1.00 0.00 H new ATOM 0 HA PHE A 26 3.874 -5.562 3.791 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.854 -2.750 4.236 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.271 -3.110 3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.861 -5.042 1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.827 -2.568 3.116 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.439 -5.496 -0.484 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.597 -3.012 1.167 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.207 -4.475 -0.638 1.00 0.00 H new ATOM 394 N SER A 27 4.484 -4.440 6.707 1.00 0.00 N ATOM 395 CA SER A 27 5.535 -4.249 7.717 1.00 0.00 C ATOM 396 C SER A 27 6.436 -5.486 7.830 1.00 0.00 C ATOM 397 O SER A 27 7.518 -5.429 8.398 1.00 0.00 O ATOM 398 CB SER A 27 4.919 -3.923 9.081 1.00 0.00 C ATOM 399 OG SER A 27 4.155 -2.728 9.032 1.00 0.00 O ATOM 0 H SER A 27 3.540 -4.489 7.090 1.00 0.00 H new ATOM 0 HA SER A 27 6.151 -3.409 7.395 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.285 -4.749 9.402 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.710 -3.821 9.824 1.00 0.00 H new ATOM 0 HG SER A 27 3.319 -2.894 8.548 1.00 0.00 H new ATOM 405 N GLN A 28 5.976 -6.598 7.279 1.00 0.00 N ATOM 406 CA GLN A 28 6.736 -7.831 7.312 1.00 0.00 C ATOM 407 C GLN A 28 7.802 -7.841 6.218 1.00 0.00 C ATOM 408 O GLN A 28 8.732 -8.633 6.264 1.00 0.00 O ATOM 409 CB GLN A 28 5.812 -9.033 7.136 1.00 0.00 C ATOM 410 CG GLN A 28 4.719 -9.143 8.192 1.00 0.00 C ATOM 411 CD GLN A 28 3.815 -10.350 7.989 1.00 0.00 C ATOM 412 OE1 GLN A 28 4.354 -11.420 7.454 1.00 0.00 O flip ATOM 413 NE2 GLN A 28 2.646 -10.325 8.323 1.00 0.00 N flip ATOM 0 H GLN A 28 5.077 -6.669 6.803 1.00 0.00 H new ATOM 0 HA GLN A 28 7.227 -7.896 8.283 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.346 -8.978 6.152 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.411 -9.943 7.154 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.179 -9.203 9.178 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.114 -8.236 8.177 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.252 -9.480 8.737 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.060 -11.149 8.189 1.00 0.00 H new ATOM 422 N PHE A 29 7.638 -6.973 5.233 1.00 0.00 N ATOM 423 CA PHE A 29 8.562 -6.900 4.103 1.00 0.00 C ATOM 424 C PHE A 29 9.311 -5.578 4.071 1.00 0.00 C ATOM 425 O PHE A 29 10.527 -5.537 3.892 1.00 0.00 O ATOM 426 CB PHE A 29 7.820 -7.112 2.770 1.00 0.00 C ATOM 427 CG PHE A 29 7.396 -8.534 2.495 1.00 0.00 C ATOM 428 CD1 PHE A 29 6.317 -9.106 3.147 1.00 0.00 C ATOM 429 CD2 PHE A 29 8.090 -9.296 1.576 1.00 0.00 C ATOM 430 CE1 PHE A 29 5.944 -10.415 2.885 1.00 0.00 C ATOM 431 CE2 PHE A 29 7.725 -10.597 1.308 1.00 0.00 C ATOM 432 CZ PHE A 29 6.650 -11.160 1.962 1.00 0.00 C ATOM 0 H PHE A 29 6.870 -6.303 5.190 1.00 0.00 H new ATOM 0 HA PHE A 29 9.290 -7.700 4.236 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.935 -6.476 2.759 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.463 -6.777 1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.760 -8.526 3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.934 -8.864 1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.102 -10.851 3.402 1.00 0.00 H new ATOM 0 HE2 PHE A 29 8.281 -11.176 0.585 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.361 -12.180 1.753 1.00 0.00 H new ATOM 442 N GLY A 30 8.603 -4.496 4.285 1.00 0.00 N ATOM 443 CA GLY A 30 9.225 -3.230 4.158 1.00 0.00 C ATOM 444 C GLY A 30 8.961 -2.312 5.305 1.00 0.00 C ATOM 445 O GLY A 30 7.947 -2.428 5.995 1.00 0.00 O ATOM 0 H GLY A 30 7.616 -4.479 4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.301 -3.372 4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.880 -2.757 3.239 1.00 0.00 H new ATOM 449 N GLU A 31 9.894 -1.416 5.508 1.00 0.00 N ATOM 450 CA GLU A 31 9.821 -0.375 6.506 1.00 0.00 C ATOM 451 C GLU A 31 8.667 0.573 6.150 1.00 0.00 C ATOM 452 O GLU A 31 8.688 1.219 5.086 1.00 0.00 O ATOM 453 CB GLU A 31 11.127 0.403 6.474 1.00 0.00 C ATOM 454 CG GLU A 31 12.387 -0.411 6.749 1.00 0.00 C ATOM 455 CD GLU A 31 13.653 0.369 6.420 1.00 0.00 C ATOM 456 OE1 GLU A 31 14.045 1.267 7.187 1.00 0.00 O ATOM 457 OE2 GLU A 31 14.273 0.105 5.363 1.00 0.00 O1- ATOM 0 H GLU A 31 10.757 -1.389 4.964 1.00 0.00 H new ATOM 0 HA GLU A 31 9.656 -0.803 7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.226 0.872 5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.068 1.207 7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.406 -0.707 7.798 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.362 -1.328 6.160 1.00 0.00 H new ATOM 464 N ILE A 32 7.679 0.638 7.005 1.00 0.00 N ATOM 465 CA ILE A 32 6.499 1.456 6.775 1.00 0.00 C ATOM 466 C ILE A 32 6.647 2.801 7.474 1.00 0.00 C ATOM 467 O ILE A 32 7.051 2.859 8.629 1.00 0.00 O ATOM 468 CB ILE A 32 5.214 0.740 7.312 1.00 0.00 C ATOM 469 CG1 ILE A 32 5.035 -0.636 6.657 1.00 0.00 C ATOM 470 CG2 ILE A 32 3.959 1.595 7.111 1.00 0.00 C ATOM 471 CD1 ILE A 32 4.872 -0.600 5.156 1.00 0.00 C ATOM 0 H ILE A 32 7.663 0.125 7.887 1.00 0.00 H new ATOM 0 HA ILE A 32 6.400 1.609 5.700 1.00 0.00 H new ATOM 0 HB ILE A 32 5.351 0.599 8.384 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.898 -1.255 6.901 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.161 -1.121 7.093 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.090 1.062 7.497 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.072 2.539 7.645 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.820 1.794 6.048 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.752 -1.615 4.779 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.991 -0.011 4.900 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.755 -0.148 4.705 1.00 0.00 H new ATOM 483 N LEU A 33 6.369 3.869 6.758 1.00 0.00 N ATOM 484 CA LEU A 33 6.375 5.202 7.346 1.00 0.00 C ATOM 485 C LEU A 33 4.943 5.675 7.516 1.00 0.00 C ATOM 486 O LEU A 33 4.625 6.436 8.418 1.00 0.00 O ATOM 487 CB LEU A 33 7.126 6.203 6.455 1.00 0.00 C ATOM 488 CG LEU A 33 8.578 5.868 6.102 1.00 0.00 C ATOM 489 CD1 LEU A 33 9.194 6.998 5.289 1.00 0.00 C ATOM 490 CD2 LEU A 33 9.399 5.596 7.357 1.00 0.00 C ATOM 0 H LEU A 33 6.135 3.846 5.766 1.00 0.00 H new ATOM 0 HA LEU A 33 6.882 5.149 8.309 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.568 6.313 5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.113 7.174 6.951 1.00 0.00 H new ATOM 0 HG LEU A 33 8.584 4.960 5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.226 6.749 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.626 7.136 4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.172 7.919 5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.426 5.361 7.076 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.391 6.479 7.996 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.969 4.753 7.898 1.00 0.00 H new ATOM 502 N ASP A 34 4.100 5.186 6.636 1.00 0.00 N ATOM 503 CA ASP A 34 2.689 5.540 6.557 1.00 0.00 C ATOM 504 C ASP A 34 1.991 4.521 5.686 1.00 0.00 C ATOM 505 O ASP A 34 2.625 3.927 4.810 1.00 0.00 O ATOM 506 CB ASP A 34 2.514 6.972 5.978 1.00 0.00 C ATOM 507 CG ASP A 34 1.246 7.141 5.151 1.00 0.00 C ATOM 508 OD1 ASP A 34 0.153 7.271 5.733 1.00 0.00 O1- ATOM 509 OD2 ASP A 34 1.360 7.085 3.896 1.00 0.00 O ATOM 0 H ASP A 34 4.381 4.507 5.928 1.00 0.00 H new ATOM 0 HA ASP A 34 2.250 5.536 7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.501 7.689 6.799 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.378 7.213 5.358 1.00 0.00 H new ATOM 514 N SER A 35 0.744 4.282 5.946 1.00 0.00 N ATOM 515 CA SER A 35 -0.039 3.372 5.178 1.00 0.00 C ATOM 516 C SER A 35 -1.492 3.761 5.291 1.00 0.00 C ATOM 517 O SER A 35 -2.129 3.508 6.313 1.00 0.00 O ATOM 518 CB SER A 35 0.210 1.923 5.635 1.00 0.00 C ATOM 519 OG SER A 35 0.021 1.786 7.037 1.00 0.00 O ATOM 0 H SER A 35 0.235 4.723 6.712 1.00 0.00 H new ATOM 0 HA SER A 35 0.252 3.424 4.129 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.467 1.251 5.107 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.225 1.625 5.371 1.00 0.00 H new ATOM 0 HG SER A 35 -0.779 2.282 7.309 1.00 0.00 H new ATOM 525 N LYS A 36 -2.005 4.405 4.283 1.00 0.00 N ATOM 526 CA LYS A 36 -3.359 4.848 4.321 1.00 0.00 C ATOM 527 C LYS A 36 -4.189 4.388 3.171 1.00 0.00 C ATOM 528 O LYS A 36 -3.833 4.542 2.003 1.00 0.00 O ATOM 529 CB LYS A 36 -3.497 6.367 4.471 1.00 0.00 C ATOM 530 CG LYS A 36 -3.518 6.897 5.912 1.00 0.00 C ATOM 531 CD LYS A 36 -4.550 6.156 6.797 1.00 0.00 C ATOM 532 CE LYS A 36 -5.961 6.051 6.169 1.00 0.00 C ATOM 533 NZ LYS A 36 -6.663 7.341 6.046 1.00 0.00 N1+ ATOM 0 H LYS A 36 -1.502 4.633 3.426 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.749 4.371 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.671 6.842 3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.416 6.680 3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.525 6.791 6.350 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.750 7.962 5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.180 5.152 7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.628 6.671 7.755 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.874 5.601 5.180 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.567 5.376 6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.640 7.176 5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.674 7.820 6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.171 7.939 5.352 1.00 0.00 H new ATOM 547 N ILE A 37 -5.307 3.826 3.519 1.00 0.00 N ATOM 548 CA ILE A 37 -6.327 3.499 2.577 1.00 0.00 C ATOM 549 C ILE A 37 -7.022 4.791 2.235 1.00 0.00 C ATOM 550 O ILE A 37 -7.158 5.679 3.106 1.00 0.00 O ATOM 551 CB ILE A 37 -7.372 2.536 3.210 1.00 0.00 C ATOM 552 CG1 ILE A 37 -6.710 1.259 3.686 1.00 0.00 C ATOM 553 CG2 ILE A 37 -8.506 2.212 2.242 1.00 0.00 C ATOM 554 CD1 ILE A 37 -6.113 0.423 2.594 1.00 0.00 C ATOM 0 H ILE A 37 -5.537 3.579 4.482 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.892 3.013 1.704 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.803 3.051 4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.927 1.515 4.400 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.447 0.661 4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.214 1.537 2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.017 3.132 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.098 1.735 1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.661 -0.470 3.025 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.893 0.132 1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.350 0.999 2.071 1.00 0.00 H new ATOM 566 N ILE A 38 -7.408 4.942 1.010 1.00 0.00 N ATOM 567 CA ILE A 38 -8.174 6.075 0.641 1.00 0.00 C ATOM 568 C ILE A 38 -9.590 5.773 1.047 1.00 0.00 C ATOM 569 O ILE A 38 -10.209 4.829 0.537 1.00 0.00 O ATOM 570 CB ILE A 38 -8.060 6.389 -0.872 1.00 0.00 C ATOM 571 CG1 ILE A 38 -6.586 6.679 -1.235 1.00 0.00 C ATOM 572 CG2 ILE A 38 -8.966 7.560 -1.266 1.00 0.00 C ATOM 573 CD1 ILE A 38 -5.952 7.815 -0.438 1.00 0.00 C ATOM 0 H ILE A 38 -7.203 4.292 0.251 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.807 6.971 1.142 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.396 5.518 -1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.001 5.772 -1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.526 6.919 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.864 7.756 -2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -10.003 7.310 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.677 8.448 -0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.918 7.950 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.509 8.736 -0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.975 7.571 0.624 1.00 0.00 H new ATOM 585 N ASN A 39 -10.071 6.512 2.005 1.00 0.00 N ATOM 586 CA ASN A 39 -11.363 6.250 2.570 1.00 0.00 C ATOM 587 C ASN A 39 -12.442 6.808 1.690 1.00 0.00 C ATOM 588 O ASN A 39 -12.207 7.704 0.872 1.00 0.00 O ATOM 589 CB ASN A 39 -11.498 6.807 3.993 1.00 0.00 C ATOM 590 CG ASN A 39 -10.449 6.265 4.978 1.00 0.00 C ATOM 591 OD1 ASN A 39 -9.352 6.859 5.154 1.00 0.00 O ATOM 592 ND2 ASN A 39 -10.754 5.160 5.622 1.00 0.00 N ATOM 0 H ASN A 39 -9.582 7.308 2.414 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.473 5.167 2.633 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.420 7.894 3.956 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.493 6.572 4.372 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.093 4.759 6.288 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.651 4.704 5.456 1.00 0.00 H new ATOM 599 N ASP A 40 -13.604 6.275 1.847 1.00 0.00 N ATOM 600 CA ASP A 40 -14.727 6.621 1.042 1.00 0.00 C ATOM 601 C ASP A 40 -15.430 7.824 1.610 1.00 0.00 C ATOM 602 O ASP A 40 -15.900 7.801 2.736 1.00 0.00 O ATOM 603 CB ASP A 40 -15.665 5.438 0.926 1.00 0.00 C ATOM 604 CG ASP A 40 -16.767 5.667 -0.042 1.00 0.00 C ATOM 605 OD1 ASP A 40 -17.777 6.233 0.345 1.00 0.00 O ATOM 606 OD2 ASP A 40 -16.644 5.240 -1.190 1.00 0.00 O1- ATOM 0 H ASP A 40 -13.806 5.569 2.555 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.382 6.881 0.041 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.097 4.559 0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -16.089 5.219 1.906 1.00 0.00 H new ATOM 611 N ARG A 41 -15.485 8.864 0.822 1.00 0.00 N ATOM 612 CA ARG A 41 -16.059 10.135 1.228 1.00 0.00 C ATOM 613 C ARG A 41 -17.582 10.056 1.355 1.00 0.00 C ATOM 614 O ARG A 41 -18.174 10.750 2.173 1.00 0.00 O ATOM 615 CB ARG A 41 -15.681 11.202 0.199 1.00 0.00 C ATOM 616 CG ARG A 41 -16.205 12.602 0.496 1.00 0.00 C ATOM 617 CD ARG A 41 -16.038 13.500 -0.715 1.00 0.00 C ATOM 618 NE ARG A 41 -16.749 12.937 -1.866 1.00 0.00 N ATOM 619 CZ ARG A 41 -16.910 13.474 -3.064 1.00 0.00 C ATOM 620 NH1 ARG A 41 -16.424 14.692 -3.349 1.00 0.00 N1+ ATOM 621 NH2 ARG A 41 -17.567 12.772 -3.976 1.00 0.00 N ATOM 0 H ARG A 41 -15.130 8.860 -0.134 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.661 10.394 2.209 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -14.594 11.246 0.126 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -16.053 10.891 -0.777 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -17.257 12.551 0.776 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.669 13.024 1.346 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -16.421 14.496 -0.494 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.980 13.611 -0.951 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.171 12.019 -1.726 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.921 15.220 -2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.558 15.090 -4.279 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.930 11.848 -3.744 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.709 13.156 -4.910 1.00 0.00 H new ATOM 635 N GLU A 42 -18.197 9.205 0.562 1.00 0.00 N ATOM 636 CA GLU A 42 -19.640 9.120 0.530 1.00 0.00 C ATOM 637 C GLU A 42 -20.197 8.300 1.704 1.00 0.00 C ATOM 638 O GLU A 42 -21.224 8.644 2.280 1.00 0.00 O ATOM 639 CB GLU A 42 -20.156 8.527 -0.811 1.00 0.00 C ATOM 640 CG GLU A 42 -19.992 9.407 -2.074 1.00 0.00 C ATOM 641 CD GLU A 42 -18.564 9.587 -2.567 1.00 0.00 C ATOM 642 OE1 GLU A 42 -18.071 8.727 -3.326 1.00 0.00 O ATOM 643 OE2 GLU A 42 -17.937 10.621 -2.254 1.00 0.00 O1- ATOM 0 H GLU A 42 -17.719 8.562 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 42 -20.003 10.144 0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.640 7.583 -0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -21.215 8.295 -0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -20.583 8.970 -2.879 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -20.413 10.391 -1.867 1.00 0.00 H new ATOM 650 N THR A 43 -19.531 7.219 2.041 1.00 0.00 N ATOM 651 CA THR A 43 -20.053 6.303 3.046 1.00 0.00 C ATOM 652 C THR A 43 -19.146 6.079 4.270 1.00 0.00 C ATOM 653 O THR A 43 -19.575 5.470 5.245 1.00 0.00 O ATOM 654 CB THR A 43 -20.372 4.951 2.398 1.00 0.00 C ATOM 655 OG1 THR A 43 -19.244 4.518 1.620 1.00 0.00 O ATOM 656 CG2 THR A 43 -21.573 5.055 1.493 1.00 0.00 C ATOM 0 H THR A 43 -18.633 6.948 1.641 1.00 0.00 H new ATOM 0 HA THR A 43 -20.950 6.787 3.432 1.00 0.00 H new ATOM 0 HB THR A 43 -20.588 4.235 3.191 1.00 0.00 H new ATOM 0 HG1 THR A 43 -19.048 5.185 0.929 1.00 0.00 H new ATOM 0 HG21 THR A 43 -21.777 4.082 1.046 1.00 0.00 H new ATOM 0 HG22 THR A 43 -22.438 5.377 2.072 1.00 0.00 H new ATOM 0 HG23 THR A 43 -21.373 5.781 0.705 1.00 0.00 H new ATOM 664 N GLY A 44 -17.906 6.528 4.215 1.00 0.00 N ATOM 665 CA GLY A 44 -16.995 6.301 5.342 1.00 0.00 C ATOM 666 C GLY A 44 -16.301 4.943 5.255 1.00 0.00 C ATOM 667 O GLY A 44 -15.678 4.484 6.203 1.00 0.00 O ATOM 0 H GLY A 44 -17.506 7.040 3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.244 7.091 5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.552 6.364 6.277 1.00 0.00 H new ATOM 671 N ARG A 45 -16.427 4.324 4.106 1.00 0.00 N ATOM 672 CA ARG A 45 -15.822 3.019 3.805 1.00 0.00 C ATOM 673 C ARG A 45 -14.407 3.223 3.248 1.00 0.00 C ATOM 674 O ARG A 45 -13.758 4.230 3.529 1.00 0.00 O ATOM 675 CB ARG A 45 -16.679 2.332 2.738 1.00 0.00 C ATOM 676 CG ARG A 45 -17.984 1.716 3.216 1.00 0.00 C ATOM 677 CD ARG A 45 -18.942 1.500 2.036 1.00 0.00 C ATOM 678 NE ARG A 45 -18.286 0.911 0.840 1.00 0.00 N ATOM 679 CZ ARG A 45 -17.996 1.612 -0.298 1.00 0.00 C ATOM 680 NH1 ARG A 45 -18.256 2.918 -0.364 1.00 0.00 N1+ ATOM 681 NH2 ARG A 45 -17.444 1.003 -1.342 1.00 0.00 N ATOM 0 H ARG A 45 -16.962 4.710 3.328 1.00 0.00 H new ATOM 0 HA ARG A 45 -15.770 2.413 4.710 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -16.909 3.062 1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -16.082 1.549 2.272 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -17.785 0.764 3.709 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -18.450 2.367 3.956 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -19.755 0.847 2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -19.389 2.455 1.762 1.00 0.00 H new ATOM 0 HE ARG A 45 -18.036 -0.078 0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.672 3.396 0.435 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.039 3.439 -1.214 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.234 0.006 -1.298 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.231 1.533 -2.187 1.00 0.00 H new ATOM 695 N SER A 46 -13.937 2.272 2.491 1.00 0.00 N ATOM 696 CA SER A 46 -12.695 2.388 1.782 1.00 0.00 C ATOM 697 C SER A 46 -13.015 2.481 0.273 1.00 0.00 C ATOM 698 O SER A 46 -13.994 1.883 -0.181 1.00 0.00 O ATOM 699 CB SER A 46 -11.855 1.146 2.083 1.00 0.00 C ATOM 700 OG SER A 46 -11.681 0.999 3.484 1.00 0.00 O ATOM 0 H SER A 46 -14.413 1.382 2.347 1.00 0.00 H new ATOM 0 HA SER A 46 -12.138 3.274 2.086 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.343 0.261 1.675 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.884 1.228 1.595 1.00 0.00 H new ATOM 0 HG SER A 46 -10.969 0.349 3.659 1.00 0.00 H new ATOM 706 N ARG A 47 -12.212 3.236 -0.496 1.00 0.00 N ATOM 707 CA ARG A 47 -12.449 3.392 -1.956 1.00 0.00 C ATOM 708 C ARG A 47 -12.000 2.158 -2.726 1.00 0.00 C ATOM 709 O ARG A 47 -12.221 2.060 -3.925 1.00 0.00 O ATOM 710 CB ARG A 47 -11.722 4.620 -2.540 1.00 0.00 C ATOM 711 CG ARG A 47 -12.112 5.959 -1.944 1.00 0.00 C ATOM 712 CD ARG A 47 -13.569 6.316 -2.173 1.00 0.00 C ATOM 713 NE ARG A 47 -13.920 6.608 -3.574 1.00 0.00 N ATOM 714 CZ ARG A 47 -15.117 7.144 -3.918 1.00 0.00 C ATOM 715 NH1 ARG A 47 -16.172 6.960 -3.147 1.00 0.00 N1+ ATOM 716 NH2 ARG A 47 -15.283 7.744 -5.094 1.00 0.00 N ATOM 0 H ARG A 47 -11.401 3.745 -0.144 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.524 3.530 -2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.649 4.482 -2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.908 4.653 -3.614 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.913 5.944 -0.872 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.482 6.738 -2.374 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.190 5.492 -1.822 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.816 7.184 -1.562 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.242 6.401 -4.307 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.088 6.413 -2.290 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.071 7.364 -3.408 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.504 7.805 -5.750 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -16.189 8.143 -5.340 1.00 0.00 H new ATOM 730 N GLY A 48 -11.347 1.244 -2.042 1.00 0.00 N ATOM 731 CA GLY A 48 -10.902 0.027 -2.682 1.00 0.00 C ATOM 732 C GLY A 48 -9.453 0.092 -3.094 1.00 0.00 C ATOM 733 O GLY A 48 -8.971 -0.769 -3.838 1.00 0.00 O ATOM 0 H GLY A 48 -11.114 1.319 -1.052 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.046 -0.812 -2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.519 -0.165 -3.560 1.00 0.00 H new ATOM 737 N PHE A 49 -8.750 1.106 -2.624 1.00 0.00 N ATOM 738 CA PHE A 49 -7.340 1.242 -2.903 1.00 0.00 C ATOM 739 C PHE A 49 -6.708 2.143 -1.845 1.00 0.00 C ATOM 740 O PHE A 49 -7.431 2.808 -1.074 1.00 0.00 O ATOM 741 CB PHE A 49 -7.084 1.787 -4.335 1.00 0.00 C ATOM 742 CG PHE A 49 -7.348 3.245 -4.538 1.00 0.00 C ATOM 743 CD1 PHE A 49 -8.636 3.747 -4.608 1.00 0.00 C ATOM 744 CD2 PHE A 49 -6.285 4.113 -4.658 1.00 0.00 C ATOM 745 CE1 PHE A 49 -8.857 5.097 -4.795 1.00 0.00 C ATOM 746 CE2 PHE A 49 -6.491 5.464 -4.843 1.00 0.00 C ATOM 747 CZ PHE A 49 -7.781 5.959 -4.912 1.00 0.00 C ATOM 0 H PHE A 49 -9.139 1.849 -2.044 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.877 0.256 -2.862 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.046 1.586 -4.599 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.705 1.225 -5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.477 3.076 -4.515 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.276 3.730 -4.606 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -9.866 5.479 -4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.648 6.133 -4.934 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.948 7.016 -5.057 1.00 0.00 H new ATOM 757 N GLY A 50 -5.403 2.151 -1.785 1.00 0.00 N ATOM 758 CA GLY A 50 -4.705 2.951 -0.828 1.00 0.00 C ATOM 759 C GLY A 50 -3.266 3.159 -1.216 1.00 0.00 C ATOM 760 O GLY A 50 -2.791 2.585 -2.205 1.00 0.00 O ATOM 0 H GLY A 50 -4.800 1.603 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.199 3.918 -0.733 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.752 2.472 0.150 1.00 0.00 H new ATOM 764 N PHE A 51 -2.578 3.956 -0.449 1.00 0.00 N ATOM 765 CA PHE A 51 -1.185 4.247 -0.680 1.00 0.00 C ATOM 766 C PHE A 51 -0.380 3.865 0.536 1.00 0.00 C ATOM 767 O PHE A 51 -0.857 3.968 1.666 1.00 0.00 O ATOM 768 CB PHE A 51 -0.957 5.734 -0.992 1.00 0.00 C ATOM 769 CG PHE A 51 -1.492 6.203 -2.318 1.00 0.00 C ATOM 770 CD1 PHE A 51 -0.696 6.156 -3.451 1.00 0.00 C ATOM 771 CD2 PHE A 51 -2.775 6.710 -2.429 1.00 0.00 C ATOM 772 CE1 PHE A 51 -1.169 6.605 -4.667 1.00 0.00 C ATOM 773 CE2 PHE A 51 -3.257 7.156 -3.643 1.00 0.00 C ATOM 774 CZ PHE A 51 -2.452 7.105 -4.764 1.00 0.00 C ATOM 0 H PHE A 51 -2.970 4.429 0.365 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.864 3.667 -1.545 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.417 6.328 -0.203 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.114 5.935 -0.959 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.308 5.763 -3.382 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.407 6.757 -1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.536 6.565 -5.541 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.262 7.544 -3.716 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.826 7.456 -5.715 1.00 0.00 H new ATOM 784 N VAL A 52 0.810 3.392 0.311 1.00 0.00 N ATOM 785 CA VAL A 52 1.691 3.028 1.395 1.00 0.00 C ATOM 786 C VAL A 52 2.998 3.781 1.238 1.00 0.00 C ATOM 787 O VAL A 52 3.572 3.808 0.142 1.00 0.00 O ATOM 788 CB VAL A 52 1.995 1.497 1.423 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.799 1.123 2.658 1.00 0.00 C ATOM 790 CG2 VAL A 52 0.725 0.669 1.352 1.00 0.00 C ATOM 0 H VAL A 52 1.201 3.246 -0.620 1.00 0.00 H new ATOM 0 HA VAL A 52 1.193 3.287 2.329 1.00 0.00 H new ATOM 0 HB VAL A 52 2.590 1.273 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.997 0.051 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.744 1.666 2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.233 1.383 3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.980 -0.391 1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.088 0.907 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.194 0.895 0.427 1.00 0.00 H new ATOM 800 N THR A 53 3.435 4.411 2.283 1.00 0.00 N ATOM 801 CA THR A 53 4.692 5.080 2.291 1.00 0.00 C ATOM 802 C THR A 53 5.738 4.160 2.881 1.00 0.00 C ATOM 803 O THR A 53 5.690 3.804 4.072 1.00 0.00 O ATOM 804 CB THR A 53 4.641 6.385 3.100 1.00 0.00 C ATOM 805 OG1 THR A 53 3.606 7.242 2.563 1.00 0.00 O ATOM 806 CG2 THR A 53 5.996 7.109 3.033 1.00 0.00 C ATOM 0 H THR A 53 2.922 4.474 3.162 1.00 0.00 H new ATOM 0 HA THR A 53 4.945 5.338 1.263 1.00 0.00 H new ATOM 0 HB THR A 53 4.421 6.149 4.141 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.730 6.927 2.867 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.944 8.032 3.611 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.773 6.466 3.445 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.232 7.344 1.995 1.00 0.00 H new ATOM 814 N PHE A 54 6.643 3.767 2.060 1.00 0.00 N ATOM 815 CA PHE A 54 7.721 2.940 2.453 1.00 0.00 C ATOM 816 C PHE A 54 8.916 3.791 2.684 1.00 0.00 C ATOM 817 O PHE A 54 9.032 4.880 2.112 1.00 0.00 O ATOM 818 CB PHE A 54 8.043 1.896 1.398 1.00 0.00 C ATOM 819 CG PHE A 54 7.085 0.745 1.338 1.00 0.00 C ATOM 820 CD1 PHE A 54 7.271 -0.355 2.154 1.00 0.00 C ATOM 821 CD2 PHE A 54 6.018 0.750 0.462 1.00 0.00 C ATOM 822 CE1 PHE A 54 6.411 -1.429 2.097 1.00 0.00 C ATOM 823 CE2 PHE A 54 5.152 -0.324 0.405 1.00 0.00 C ATOM 824 CZ PHE A 54 5.349 -1.412 1.221 1.00 0.00 C ATOM 0 H PHE A 54 6.653 4.019 1.072 1.00 0.00 H new ATOM 0 HA PHE A 54 7.437 2.415 3.365 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.067 2.381 0.422 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.044 1.508 1.585 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.101 -0.372 2.845 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.859 1.601 -0.184 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.569 -2.283 2.738 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.319 -0.309 -0.282 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.672 -2.252 1.175 1.00 0.00 H new ATOM 834 N LYS A 55 9.778 3.328 3.525 1.00 0.00 N ATOM 835 CA LYS A 55 10.983 4.031 3.809 1.00 0.00 C ATOM 836 C LYS A 55 11.896 4.073 2.595 1.00 0.00 C ATOM 837 O LYS A 55 12.342 5.120 2.214 1.00 0.00 O ATOM 838 CB LYS A 55 11.689 3.425 5.016 1.00 0.00 C ATOM 839 CG LYS A 55 13.033 4.036 5.347 1.00 0.00 C ATOM 840 CD LYS A 55 12.956 5.524 5.606 1.00 0.00 C ATOM 841 CE LYS A 55 14.342 6.096 5.737 1.00 0.00 C ATOM 842 NZ LYS A 55 15.134 5.896 4.501 1.00 0.00 N1+ ATOM 0 H LYS A 55 9.667 2.452 4.035 1.00 0.00 H new ATOM 0 HA LYS A 55 10.724 5.061 4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.039 3.523 5.885 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.826 2.358 4.840 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.445 3.540 6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.723 3.851 4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.426 6.016 4.791 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.388 5.714 6.516 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.277 7.161 5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.853 5.625 6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.974 6.509 4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.433 4.902 4.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.552 6.136 3.673 1.00 0.00 H new ATOM 856 N ASP A 56 12.148 2.946 1.971 1.00 0.00 N ATOM 857 CA ASP A 56 13.083 2.938 0.858 1.00 0.00 C ATOM 858 C ASP A 56 12.631 2.029 -0.252 1.00 0.00 C ATOM 859 O ASP A 56 11.649 1.303 -0.110 1.00 0.00 O ATOM 860 CB ASP A 56 14.506 2.578 1.300 1.00 0.00 C ATOM 861 CG ASP A 56 15.149 3.616 2.199 1.00 0.00 C ATOM 862 OD1 ASP A 56 15.473 4.703 1.737 1.00 0.00 O1- ATOM 863 OD2 ASP A 56 15.348 3.345 3.400 1.00 0.00 O ATOM 0 H ASP A 56 11.734 2.043 2.202 1.00 0.00 H new ATOM 0 HA ASP A 56 13.102 3.957 0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.483 1.622 1.823 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.128 2.442 0.415 1.00 0.00 H new ATOM 868 N GLU A 57 13.394 2.028 -1.323 1.00 0.00 N ATOM 869 CA GLU A 57 13.071 1.323 -2.555 1.00 0.00 C ATOM 870 C GLU A 57 13.056 -0.182 -2.446 1.00 0.00 C ATOM 871 O GLU A 57 12.121 -0.800 -2.896 1.00 0.00 O ATOM 872 CB GLU A 57 13.922 1.817 -3.735 1.00 0.00 C ATOM 873 CG GLU A 57 15.327 2.295 -3.371 1.00 0.00 C ATOM 874 CD GLU A 57 16.236 1.225 -2.841 1.00 0.00 C ATOM 875 OE1 GLU A 57 16.178 0.925 -1.634 1.00 0.00 O1- ATOM 876 OE2 GLU A 57 17.019 0.658 -3.605 1.00 0.00 O ATOM 0 H GLU A 57 14.281 2.529 -1.367 1.00 0.00 H new ATOM 0 HA GLU A 57 12.032 1.583 -2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.008 1.010 -4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.394 2.634 -4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.786 2.737 -4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.245 3.086 -2.625 1.00 0.00 H new ATOM 883 N LYS A 58 14.068 -0.761 -1.853 1.00 0.00 N ATOM 884 CA LYS A 58 14.138 -2.204 -1.675 1.00 0.00 C ATOM 885 C LYS A 58 13.007 -2.673 -0.806 1.00 0.00 C ATOM 886 O LYS A 58 12.348 -3.652 -1.110 1.00 0.00 O ATOM 887 CB LYS A 58 15.467 -2.578 -1.060 1.00 0.00 C ATOM 888 CG LYS A 58 16.624 -2.192 -1.927 1.00 0.00 C ATOM 889 CD LYS A 58 17.956 -2.401 -1.227 1.00 0.00 C ATOM 890 CE LYS A 58 19.092 -1.702 -1.969 1.00 0.00 C ATOM 891 NZ LYS A 58 18.901 -0.224 -2.033 1.00 0.00 N1+ ATOM 0 H LYS A 58 14.870 -0.254 -1.478 1.00 0.00 H new ATOM 0 HA LYS A 58 14.050 -2.690 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.565 -2.092 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.492 -3.653 -0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.601 -2.780 -2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.527 -1.146 -2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.897 -2.020 -0.208 1.00 0.00 H new ATOM 0 HD3 LYS A 58 18.168 -3.468 -1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 58 20.037 -1.923 -1.473 1.00 0.00 H new ATOM 0 HE3 LYS A 58 19.162 -2.101 -2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.825 0.241 -2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.296 0.013 -2.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.449 0.106 -1.156 1.00 0.00 H new ATOM 905 N ALA A 59 12.746 -1.901 0.236 1.00 0.00 N ATOM 906 CA ALA A 59 11.680 -2.188 1.166 1.00 0.00 C ATOM 907 C ALA A 59 10.336 -2.049 0.466 1.00 0.00 C ATOM 908 O ALA A 59 9.379 -2.721 0.806 1.00 0.00 O ATOM 909 CB ALA A 59 11.763 -1.243 2.357 1.00 0.00 C ATOM 0 H ALA A 59 13.273 -1.056 0.457 1.00 0.00 H new ATOM 0 HA ALA A 59 11.781 -3.211 1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.956 -1.465 3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.722 -1.373 2.858 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.671 -0.213 2.012 1.00 0.00 H new ATOM 915 N MET A 60 10.282 -1.166 -0.520 1.00 0.00 N ATOM 916 CA MET A 60 9.070 -0.973 -1.280 1.00 0.00 C ATOM 917 C MET A 60 8.908 -2.102 -2.306 1.00 0.00 C ATOM 918 O MET A 60 7.909 -2.797 -2.308 1.00 0.00 O ATOM 919 CB MET A 60 9.106 0.366 -2.011 1.00 0.00 C ATOM 920 CG MET A 60 7.818 0.694 -2.743 1.00 0.00 C ATOM 921 SD MET A 60 8.000 2.035 -3.936 1.00 0.00 S ATOM 922 CE MET A 60 9.167 1.282 -5.070 1.00 0.00 C ATOM 0 H MET A 60 11.064 -0.577 -0.807 1.00 0.00 H new ATOM 0 HA MET A 60 8.227 -0.982 -0.589 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.317 1.157 -1.292 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.928 0.358 -2.726 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.464 -0.198 -3.260 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.053 0.965 -2.015 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.284 1.918 -5.947 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.131 1.165 -4.575 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.796 0.304 -5.378 1.00 0.00 H new ATOM 932 N ARG A 61 9.930 -2.280 -3.149 1.00 0.00 N ATOM 933 CA ARG A 61 9.918 -3.253 -4.251 1.00 0.00 C ATOM 934 C ARG A 61 9.650 -4.658 -3.777 1.00 0.00 C ATOM 935 O ARG A 61 8.722 -5.290 -4.265 1.00 0.00 O ATOM 936 CB ARG A 61 11.220 -3.213 -5.067 1.00 0.00 C ATOM 937 CG ARG A 61 11.430 -1.947 -5.897 1.00 0.00 C ATOM 938 CD ARG A 61 10.359 -1.769 -6.979 1.00 0.00 C ATOM 939 NE ARG A 61 10.322 -2.883 -7.940 1.00 0.00 N ATOM 940 CZ ARG A 61 10.127 -2.768 -9.268 1.00 0.00 C ATOM 941 NH1 ARG A 61 9.945 -1.564 -9.830 1.00 0.00 N1+ ATOM 942 NH2 ARG A 61 10.086 -3.862 -10.025 1.00 0.00 N ATOM 0 H ARG A 61 10.798 -1.748 -3.087 1.00 0.00 H new ATOM 0 HA ARG A 61 9.094 -2.956 -4.900 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.062 -3.324 -4.383 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.237 -4.074 -5.736 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.423 -1.079 -5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.413 -1.983 -6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.383 -1.674 -6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.544 -0.839 -7.516 1.00 0.00 H new ATOM 0 HE ARG A 61 10.456 -3.823 -7.568 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.953 -0.724 -9.251 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.798 -1.488 -10.837 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.202 -4.782 -9.599 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.939 -3.781 -11.031 1.00 0.00 H new ATOM 956 N ASP A 62 10.428 -5.127 -2.797 1.00 0.00 N ATOM 957 CA ASP A 62 10.261 -6.505 -2.262 1.00 0.00 C ATOM 958 C ASP A 62 8.820 -6.745 -1.780 1.00 0.00 C ATOM 959 O ASP A 62 8.218 -7.785 -2.044 1.00 0.00 O ATOM 960 CB ASP A 62 11.246 -6.764 -1.122 1.00 0.00 C ATOM 961 CG ASP A 62 11.209 -8.191 -0.627 1.00 0.00 C ATOM 962 OD1 ASP A 62 11.781 -9.074 -1.308 1.00 0.00 O1- ATOM 963 OD2 ASP A 62 10.620 -8.429 0.430 1.00 0.00 O ATOM 0 H ASP A 62 11.174 -4.590 -2.355 1.00 0.00 H new ATOM 0 HA ASP A 62 10.470 -7.202 -3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.255 -6.528 -1.460 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.021 -6.091 -0.294 1.00 0.00 H new ATOM 968 N ALA A 63 8.238 -5.718 -1.175 1.00 0.00 N ATOM 969 CA ALA A 63 6.888 -5.795 -0.651 1.00 0.00 C ATOM 970 C ALA A 63 5.875 -5.861 -1.792 1.00 0.00 C ATOM 971 O ALA A 63 4.886 -6.595 -1.733 1.00 0.00 O ATOM 972 CB ALA A 63 6.618 -4.588 0.219 1.00 0.00 C ATOM 0 H ALA A 63 8.689 -4.814 -1.036 1.00 0.00 H new ATOM 0 HA ALA A 63 6.788 -6.701 -0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.604 -4.644 0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.329 -4.569 1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.727 -3.680 -0.374 1.00 0.00 H new ATOM 978 N ILE A 64 6.149 -5.107 -2.831 1.00 0.00 N ATOM 979 CA ILE A 64 5.304 -5.046 -4.008 1.00 0.00 C ATOM 980 C ILE A 64 5.342 -6.357 -4.760 1.00 0.00 C ATOM 981 O ILE A 64 4.326 -7.016 -4.941 1.00 0.00 O ATOM 982 CB ILE A 64 5.778 -3.907 -4.957 1.00 0.00 C ATOM 983 CG1 ILE A 64 5.592 -2.550 -4.298 1.00 0.00 C ATOM 984 CG2 ILE A 64 5.062 -3.953 -6.309 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.228 -1.426 -5.063 1.00 0.00 C ATOM 0 H ILE A 64 6.974 -4.510 -2.886 1.00 0.00 H new ATOM 0 HA ILE A 64 4.284 -4.848 -3.678 1.00 0.00 H new ATOM 0 HB ILE A 64 6.840 -4.062 -5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.526 -2.349 -4.190 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.014 -2.581 -3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.423 -3.141 -6.940 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.264 -4.907 -6.795 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.988 -3.844 -6.156 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.058 -0.486 -4.538 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.300 -1.605 -5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.789 -1.370 -6.059 1.00 0.00 H new ATOM 997 N GLU A 65 6.522 -6.755 -5.119 1.00 0.00 N ATOM 998 CA GLU A 65 6.740 -7.891 -5.956 1.00 0.00 C ATOM 999 C GLU A 65 6.510 -9.207 -5.210 1.00 0.00 C ATOM 1000 O GLU A 65 6.321 -10.253 -5.823 1.00 0.00 O ATOM 1001 CB GLU A 65 8.125 -7.753 -6.580 1.00 0.00 C ATOM 1002 CG GLU A 65 8.210 -6.466 -7.411 1.00 0.00 C ATOM 1003 CD GLU A 65 9.588 -6.092 -7.894 1.00 0.00 C ATOM 1004 OE1 GLU A 65 10.324 -5.423 -7.144 1.00 0.00 O ATOM 1005 OE2 GLU A 65 9.907 -6.340 -9.070 1.00 0.00 O1- ATOM 0 H GLU A 65 7.381 -6.287 -4.831 1.00 0.00 H new ATOM 0 HA GLU A 65 6.007 -7.923 -6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.884 -7.739 -5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.334 -8.616 -7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.557 -6.571 -8.277 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.818 -5.643 -6.814 1.00 0.00 H new ATOM 1012 N GLY A 66 6.495 -9.138 -3.889 1.00 0.00 N ATOM 1013 CA GLY A 66 6.201 -10.300 -3.089 1.00 0.00 C ATOM 1014 C GLY A 66 4.715 -10.438 -2.750 1.00 0.00 C ATOM 1015 O GLY A 66 4.222 -11.543 -2.569 1.00 0.00 O ATOM 0 H GLY A 66 6.683 -8.289 -3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.530 -11.192 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.775 -10.251 -2.164 1.00 0.00 H new ATOM 1019 N MET A 67 3.989 -9.322 -2.668 1.00 0.00 N ATOM 1020 CA MET A 67 2.568 -9.376 -2.276 1.00 0.00 C ATOM 1021 C MET A 67 1.592 -9.063 -3.396 1.00 0.00 C ATOM 1022 O MET A 67 0.372 -9.056 -3.175 1.00 0.00 O ATOM 1023 CB MET A 67 2.266 -8.484 -1.071 1.00 0.00 C ATOM 1024 CG MET A 67 2.768 -9.030 0.244 1.00 0.00 C ATOM 1025 SD MET A 67 2.197 -8.062 1.655 1.00 0.00 S ATOM 1026 CE MET A 67 2.710 -9.108 3.000 1.00 0.00 C ATOM 0 H MET A 67 4.345 -8.386 -2.862 1.00 0.00 H new ATOM 0 HA MET A 67 2.413 -10.420 -2.004 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.711 -7.503 -1.238 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.188 -8.337 -1.003 1.00 0.00 H new ATOM 0 HG2 MET A 67 2.435 -10.062 0.356 1.00 0.00 H new ATOM 0 HG3 MET A 67 3.858 -9.046 0.235 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.878 -9.246 3.691 1.00 0.00 H new ATOM 0 HE2 MET A 67 3.022 -10.077 2.609 1.00 0.00 H new ATOM 0 HE3 MET A 67 3.544 -8.643 3.525 1.00 0.00 H new ATOM 1036 N ASN A 68 2.079 -8.808 -4.573 1.00 0.00 N ATOM 1037 CA ASN A 68 1.185 -8.491 -5.675 1.00 0.00 C ATOM 1038 C ASN A 68 0.454 -9.744 -6.135 1.00 0.00 C ATOM 1039 O ASN A 68 1.075 -10.690 -6.604 1.00 0.00 O ATOM 1040 CB ASN A 68 1.946 -7.878 -6.853 1.00 0.00 C ATOM 1041 CG ASN A 68 1.020 -7.425 -7.970 1.00 0.00 C ATOM 1042 OD1 ASN A 68 -0.114 -7.012 -7.728 1.00 0.00 O ATOM 1043 ND2 ASN A 68 1.488 -7.501 -9.192 1.00 0.00 N ATOM 0 H ASN A 68 3.072 -8.810 -4.806 1.00 0.00 H new ATOM 0 HA ASN A 68 0.463 -7.758 -5.316 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.530 -7.027 -6.501 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.653 -8.609 -7.245 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.907 -7.213 -9.979 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.433 -7.848 -9.356 1.00 0.00 H new ATOM 1050 N GLY A 69 -0.855 -9.747 -5.990 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.633 -10.875 -6.421 1.00 0.00 C ATOM 1052 C GLY A 69 -2.194 -11.691 -5.276 1.00 0.00 C ATOM 1053 O GLY A 69 -3.053 -12.548 -5.493 1.00 0.00 O ATOM 0 H GLY A 69 -1.393 -8.984 -5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.455 -10.523 -7.044 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.013 -11.518 -7.046 1.00 0.00 H new ATOM 1057 N GLN A 70 -1.736 -11.428 -4.056 1.00 0.00 N ATOM 1058 CA GLN A 70 -2.215 -12.198 -2.909 1.00 0.00 C ATOM 1059 C GLN A 70 -3.545 -11.639 -2.397 1.00 0.00 C ATOM 1060 O GLN A 70 -4.085 -10.674 -2.957 1.00 0.00 O ATOM 1061 CB GLN A 70 -1.196 -12.229 -1.759 1.00 0.00 C ATOM 1062 CG GLN A 70 -1.022 -10.903 -1.038 1.00 0.00 C ATOM 1063 CD GLN A 70 -0.162 -11.016 0.196 1.00 0.00 C ATOM 1064 OE1 GLN A 70 0.739 -11.837 0.275 1.00 0.00 O ATOM 1065 NE2 GLN A 70 -0.453 -10.210 1.180 1.00 0.00 N ATOM 0 H GLN A 70 -1.050 -10.706 -3.836 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.358 -13.220 -3.259 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.505 -12.984 -1.036 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.230 -12.543 -2.154 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.576 -10.179 -1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.002 -10.516 -0.758 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.212 -9.536 1.080 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.079 -10.254 2.049 1.00 0.00 H new ATOM 1074 N ASP A 71 -4.048 -12.231 -1.334 1.00 0.00 N ATOM 1075 CA ASP A 71 -5.299 -11.813 -0.729 1.00 0.00 C ATOM 1076 C ASP A 71 -5.025 -10.861 0.418 1.00 0.00 C ATOM 1077 O ASP A 71 -3.986 -10.963 1.095 1.00 0.00 O ATOM 1078 CB ASP A 71 -6.081 -13.028 -0.187 1.00 0.00 C ATOM 1079 CG ASP A 71 -7.447 -12.652 0.401 1.00 0.00 C ATOM 1080 OD1 ASP A 71 -7.521 -12.199 1.577 1.00 0.00 O1- ATOM 1081 OD2 ASP A 71 -8.439 -12.784 -0.308 1.00 0.00 O ATOM 0 H ASP A 71 -3.601 -13.018 -0.863 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.894 -11.317 -1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.225 -13.748 -0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.486 -13.523 0.580 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.902 -9.921 0.582 1.00 0.00 N ATOM 1087 CA LEU A 72 -5.912 -9.038 1.702 1.00 0.00 C ATOM 1088 C LEU A 72 -7.349 -8.675 1.996 1.00 0.00 C ATOM 1089 O LEU A 72 -8.012 -8.010 1.184 1.00 0.00 O ATOM 1090 CB LEU A 72 -5.067 -7.782 1.455 1.00 0.00 C ATOM 1091 CG LEU A 72 -4.996 -6.767 2.611 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -4.398 -7.399 3.863 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -4.187 -5.548 2.198 1.00 0.00 C ATOM 0 H LEU A 72 -6.655 -9.743 -0.083 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.464 -9.540 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.052 -8.095 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.462 -7.272 0.576 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.013 -6.452 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.361 -6.659 4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.016 -8.240 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.389 -7.751 3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.147 -4.841 3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.175 -5.855 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.658 -5.073 1.338 1.00 0.00 H new ATOM 1105 N ASP A 73 -7.832 -9.187 3.114 1.00 0.00 N ATOM 1106 CA ASP A 73 -9.185 -8.938 3.635 1.00 0.00 C ATOM 1107 C ASP A 73 -10.272 -9.559 2.747 1.00 0.00 C ATOM 1108 O ASP A 73 -11.415 -9.081 2.720 1.00 0.00 O ATOM 1109 CB ASP A 73 -9.459 -7.423 3.876 1.00 0.00 C ATOM 1110 CG ASP A 73 -8.556 -6.790 4.933 1.00 0.00 C ATOM 1111 OD1 ASP A 73 -8.511 -7.291 6.061 1.00 0.00 O ATOM 1112 OD2 ASP A 73 -7.905 -5.745 4.636 1.00 0.00 O1- ATOM 0 H ASP A 73 -7.285 -9.808 3.710 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.229 -9.434 4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.332 -6.887 2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.499 -7.296 4.177 1.00 0.00 H new ATOM 1117 N GLY A 74 -9.931 -10.650 2.053 1.00 0.00 N ATOM 1118 CA GLY A 74 -10.915 -11.355 1.240 1.00 0.00 C ATOM 1119 C GLY A 74 -10.949 -10.860 -0.186 1.00 0.00 C ATOM 1120 O GLY A 74 -11.945 -11.030 -0.903 1.00 0.00 O ATOM 0 H GLY A 74 -8.995 -11.055 2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.689 -12.421 1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.902 -11.236 1.686 1.00 0.00 H new ATOM 1124 N ARG A 75 -9.905 -10.201 -0.576 1.00 0.00 N ATOM 1125 CA ARG A 75 -9.774 -9.681 -1.899 1.00 0.00 C ATOM 1126 C ARG A 75 -8.349 -9.864 -2.424 1.00 0.00 C ATOM 1127 O ARG A 75 -7.392 -9.682 -1.688 1.00 0.00 O ATOM 1128 CB ARG A 75 -10.174 -8.204 -1.914 1.00 0.00 C ATOM 1129 CG ARG A 75 -9.814 -7.473 -3.182 1.00 0.00 C ATOM 1130 CD ARG A 75 -10.560 -7.950 -4.408 1.00 0.00 C ATOM 1131 NE ARG A 75 -9.895 -7.442 -5.612 1.00 0.00 N ATOM 1132 CZ ARG A 75 -10.406 -7.363 -6.836 1.00 0.00 C ATOM 1133 NH1 ARG A 75 -11.682 -7.702 -7.061 1.00 0.00 N1+ ATOM 1134 NH2 ARG A 75 -9.629 -6.949 -7.843 1.00 0.00 N ATOM 0 H ARG A 75 -9.106 -10.006 0.027 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.440 -10.235 -2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.251 -8.130 -1.760 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.697 -7.703 -1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.010 -6.410 -3.043 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.744 -7.580 -3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.590 -9.039 -4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.593 -7.603 -4.376 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.936 -7.114 -5.498 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.268 -8.023 -6.290 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.068 -7.639 -8.003 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.656 -6.698 -7.667 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.009 -6.884 -8.787 1.00 0.00 H new ATOM 1148 N ASN A 76 -8.227 -10.182 -3.701 1.00 0.00 N ATOM 1149 CA ASN A 76 -6.930 -10.277 -4.349 1.00 0.00 C ATOM 1150 C ASN A 76 -6.494 -8.892 -4.760 1.00 0.00 C ATOM 1151 O ASN A 76 -7.177 -8.185 -5.524 1.00 0.00 O ATOM 1152 CB ASN A 76 -6.907 -11.263 -5.531 1.00 0.00 C ATOM 1153 CG ASN A 76 -7.834 -10.928 -6.689 1.00 0.00 C ATOM 1154 OD1 ASN A 76 -8.938 -10.398 -6.523 1.00 0.00 O ATOM 1155 ND2 ASN A 76 -7.371 -11.218 -7.867 1.00 0.00 N ATOM 0 H ASN A 76 -9.018 -10.380 -4.314 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.220 -10.690 -3.633 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.887 -11.321 -5.911 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -7.165 -12.254 -5.158 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -7.924 -11.008 -8.698 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -6.454 -11.655 -7.961 1.00 0.00 H new ATOM 1162 N ILE A 77 -5.392 -8.500 -4.239 1.00 0.00 N ATOM 1163 CA ILE A 77 -4.937 -7.142 -4.335 1.00 0.00 C ATOM 1164 C ILE A 77 -3.835 -6.932 -5.368 1.00 0.00 C ATOM 1165 O ILE A 77 -3.029 -7.831 -5.644 1.00 0.00 O ATOM 1166 CB ILE A 77 -4.444 -6.663 -2.956 1.00 0.00 C ATOM 1167 CG1 ILE A 77 -3.346 -7.609 -2.434 1.00 0.00 C ATOM 1168 CG2 ILE A 77 -5.621 -6.658 -1.991 1.00 0.00 C ATOM 1169 CD1 ILE A 77 -2.577 -7.094 -1.236 1.00 0.00 C ATOM 0 H ILE A 77 -4.762 -9.114 -3.723 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.792 -6.556 -4.670 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.029 -5.659 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.803 -8.563 -2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.642 -7.805 -3.242 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.286 -6.321 -1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.393 -5.984 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -6.028 -7.666 -1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.827 -7.828 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.085 -6.157 -1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.265 -6.926 -0.407 1.00 0.00 H new ATOM 1181 N THR A 78 -3.818 -5.748 -5.935 1.00 0.00 N ATOM 1182 CA THR A 78 -2.794 -5.334 -6.843 1.00 0.00 C ATOM 1183 C THR A 78 -1.864 -4.391 -6.105 1.00 0.00 C ATOM 1184 O THR A 78 -2.271 -3.314 -5.661 1.00 0.00 O ATOM 1185 CB THR A 78 -3.407 -4.611 -8.062 1.00 0.00 C ATOM 1186 OG1 THR A 78 -4.308 -5.517 -8.726 1.00 0.00 O ATOM 1187 CG2 THR A 78 -2.319 -4.119 -9.045 1.00 0.00 C ATOM 0 H THR A 78 -4.532 -5.039 -5.770 1.00 0.00 H new ATOM 0 HA THR A 78 -2.250 -6.206 -7.205 1.00 0.00 H new ATOM 0 HB THR A 78 -3.944 -3.729 -7.714 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.707 -5.071 -9.502 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.792 -3.616 -9.889 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.654 -3.423 -8.533 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.743 -4.971 -9.407 1.00 0.00 H new ATOM 1195 N VAL A 79 -0.653 -4.807 -5.949 1.00 0.00 N ATOM 1196 CA VAL A 79 0.330 -4.019 -5.278 1.00 0.00 C ATOM 1197 C VAL A 79 1.304 -3.573 -6.330 1.00 0.00 C ATOM 1198 O VAL A 79 1.958 -4.404 -6.960 1.00 0.00 O ATOM 1199 CB VAL A 79 1.080 -4.844 -4.195 1.00 0.00 C ATOM 1200 CG1 VAL A 79 2.005 -3.960 -3.387 1.00 0.00 C ATOM 1201 CG2 VAL A 79 0.106 -5.565 -3.278 1.00 0.00 C ATOM 0 H VAL A 79 -0.313 -5.708 -6.285 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.143 -3.178 -4.771 1.00 0.00 H new ATOM 0 HB VAL A 79 1.680 -5.594 -4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.518 -4.561 -2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.740 -3.501 -4.049 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.424 -3.181 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.661 -6.133 -2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.531 -4.835 -2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.512 -6.244 -3.865 1.00 0.00 H new ATOM 1211 N ASN A 80 1.381 -2.299 -6.567 1.00 0.00 N ATOM 1212 CA ASN A 80 2.242 -1.815 -7.603 1.00 0.00 C ATOM 1213 C ASN A 80 3.049 -0.607 -7.166 1.00 0.00 C ATOM 1214 O ASN A 80 2.735 0.068 -6.170 1.00 0.00 O ATOM 1215 CB ASN A 80 1.464 -1.559 -8.919 1.00 0.00 C ATOM 1216 CG ASN A 80 0.356 -0.527 -8.801 1.00 0.00 C ATOM 1217 OD1 ASN A 80 -0.767 -0.843 -8.455 1.00 0.00 O ATOM 1218 ND2 ASN A 80 0.652 0.694 -9.144 1.00 0.00 N ATOM 0 H ASN A 80 0.863 -1.580 -6.062 1.00 0.00 H new ATOM 0 HA ASN A 80 2.965 -2.604 -7.809 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.167 -1.233 -9.685 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.033 -2.500 -9.261 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.067 1.417 -9.127 1.00 0.00 H new ATOM 0 HD22 ASN A 80 1.603 0.927 -9.429 1.00 0.00 H new ATOM 1225 N GLU A 81 4.093 -0.354 -7.899 1.00 0.00 N ATOM 1226 CA GLU A 81 5.019 0.686 -7.630 1.00 0.00 C ATOM 1227 C GLU A 81 4.459 2.036 -8.028 1.00 0.00 C ATOM 1228 O GLU A 81 3.975 2.215 -9.153 1.00 0.00 O ATOM 1229 CB GLU A 81 6.292 0.408 -8.417 1.00 0.00 C ATOM 1230 CG GLU A 81 7.338 1.473 -8.276 1.00 0.00 C ATOM 1231 CD GLU A 81 8.503 1.260 -9.191 1.00 0.00 C ATOM 1232 OE1 GLU A 81 8.373 1.569 -10.397 1.00 0.00 O1- ATOM 1233 OE2 GLU A 81 9.557 0.792 -8.719 1.00 0.00 O ATOM 0 H GLU A 81 4.325 -0.894 -8.733 1.00 0.00 H new ATOM 0 HA GLU A 81 5.225 0.713 -6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.710 -0.544 -8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.039 0.298 -9.472 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.891 2.445 -8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.690 1.497 -7.245 1.00 0.00 H new ATOM 1240 N ALA A 82 4.500 2.963 -7.115 1.00 0.00 N ATOM 1241 CA ALA A 82 4.139 4.316 -7.412 1.00 0.00 C ATOM 1242 C ALA A 82 5.405 5.171 -7.390 1.00 0.00 C ATOM 1243 O ALA A 82 5.493 6.191 -8.074 1.00 0.00 O ATOM 1244 CB ALA A 82 3.130 4.835 -6.394 1.00 0.00 C ATOM 0 H ALA A 82 4.783 2.802 -6.148 1.00 0.00 H new ATOM 0 HA ALA A 82 3.675 4.366 -8.397 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.867 5.865 -6.635 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.234 4.215 -6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.567 4.796 -5.396 1.00 0.00 H new ATOM 1250 N GLN A 83 6.417 4.665 -6.649 1.00 0.00 N ATOM 1251 CA GLN A 83 7.681 5.385 -6.337 1.00 0.00 C ATOM 1252 C GLN A 83 7.419 6.767 -5.763 1.00 0.00 C ATOM 1253 O GLN A 83 6.309 7.096 -5.373 1.00 0.00 O ATOM 1254 CB GLN A 83 8.642 5.503 -7.530 1.00 0.00 C ATOM 1255 CG GLN A 83 9.327 4.230 -7.930 1.00 0.00 C ATOM 1256 CD GLN A 83 10.427 4.455 -8.951 1.00 0.00 C ATOM 1257 OE1 GLN A 83 10.383 5.402 -9.744 1.00 0.00 O ATOM 1258 NE2 GLN A 83 11.374 3.565 -8.989 1.00 0.00 N ATOM 0 H GLN A 83 6.381 3.730 -6.243 1.00 0.00 H new ATOM 0 HA GLN A 83 8.170 4.765 -5.586 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.086 5.882 -8.387 1.00 0.00 H new ATOM 0 HB3 GLN A 83 9.403 6.246 -7.290 1.00 0.00 H new ATOM 0 HG2 GLN A 83 9.750 3.756 -7.044 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.591 3.539 -8.341 1.00 0.00 H new ATOM 0 HE21 GLN A 83 11.379 2.796 -8.318 1.00 0.00 H new ATOM 0 HE22 GLN A 83 12.112 3.635 -9.689 1.00 0.00 H new ATOM 1267 N SER A 84 8.447 7.563 -5.702 1.00 0.00 N ATOM 1268 CA SER A 84 8.364 8.938 -5.270 1.00 0.00 C ATOM 1269 C SER A 84 7.885 9.812 -6.470 1.00 0.00 C ATOM 1270 O SER A 84 8.201 10.992 -6.573 1.00 0.00 O ATOM 1271 CB SER A 84 9.775 9.328 -4.867 1.00 0.00 C ATOM 1272 OG SER A 84 10.426 8.205 -4.265 1.00 0.00 O ATOM 0 H SER A 84 9.391 7.272 -5.956 1.00 0.00 H new ATOM 0 HA SER A 84 7.666 9.077 -4.445 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.335 9.662 -5.741 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.747 10.164 -4.168 1.00 0.00 H new ATOM 0 HG SER A 84 10.367 8.277 -3.289 1.00 0.00 H new ATOM 1278 N ARG A 85 7.089 9.210 -7.346 1.00 0.00 N ATOM 1279 CA ARG A 85 6.619 9.851 -8.560 1.00 0.00 C ATOM 1280 C ARG A 85 5.257 10.483 -8.318 1.00 0.00 C ATOM 1281 O ARG A 85 4.387 9.863 -7.701 1.00 0.00 O ATOM 1282 CB ARG A 85 6.527 8.814 -9.702 1.00 0.00 C ATOM 1283 CG ARG A 85 7.855 8.130 -10.031 1.00 0.00 C ATOM 1284 CD ARG A 85 7.711 7.027 -11.094 1.00 0.00 C ATOM 1285 NE ARG A 85 6.798 5.929 -10.681 1.00 0.00 N ATOM 1286 CZ ARG A 85 7.048 4.597 -10.831 1.00 0.00 C ATOM 1287 NH1 ARG A 85 8.244 4.169 -11.198 1.00 0.00 N1+ ATOM 1288 NH2 ARG A 85 6.115 3.698 -10.553 1.00 0.00 N ATOM 0 H ARG A 85 6.751 8.255 -7.229 1.00 0.00 H new ATOM 0 HA ARG A 85 7.325 10.631 -8.847 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.796 8.053 -9.429 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.153 9.309 -10.599 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.566 8.877 -10.384 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.271 7.699 -9.121 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.341 7.469 -12.019 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.695 6.610 -11.311 1.00 0.00 H new ATOM 0 HE ARG A 85 5.912 6.194 -10.250 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.994 4.838 -11.373 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.417 3.170 -11.306 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.198 4.000 -10.223 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.314 2.704 -10.669 1.00 0.00 H new TER 1302 ARG A 85