USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=18 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 18 THR OG1 : rot -27:sc= 1.08 USER MOD Set 1.2: A 21 THR OG1 : rot 147:sc= 2.51 USER MOD Single : A 0 GLY N :NH3+ -157:sc= 1.27 (180deg=0.232!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 150:sc= 0 USER MOD Single : A 8 CYS SG : rot 25:sc= -0.664 USER MOD Single : A 17 THR OG1 : rot -147:sc= 0.0804 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot -179:sc= 0.989 USER MOD Single : A 28 GLN : amide:sc= -0.0634 X(o=-0.063,f=-0.14) USER MOD Single : A 35 SER OG : rot 43:sc= 0.275 USER MOD Single : A 36 LYS NZ :NH3+ -110:sc= 0.242 (180deg=-1.93!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot -72:sc= 1.42 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0812 USER MOD Single : A 53 THR OG1 : rot 116:sc= 0.302 USER MOD Single : A 55 LYS NZ :NH3+ -148:sc= 0.657 (180deg=-2.09!) USER MOD Single : A 58 LYS NZ :NH3+ -135:sc= 0.599 (180deg=-1.92!) USER MOD Single : A 60 MET CE :methyl 160:sc= -0.253 (180deg=-1.19) USER MOD Single : A 67 MET CE :methyl 180:sc= -1.26 (180deg=-1.26) USER MOD Single : A 68 ASN : amide:sc= -0.566 K(o=-0.57,f=-5.4!) USER MOD Single : A 70 GLN : amide:sc= -1.21! X(o=-1.2!,f=-1.6) USER MOD Single : A 76 ASN : amide:sc= 0.975 K(o=0.98,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN :FLIP amide:sc= -0.113 F(o=-1.2,f=-0.11) USER MOD Single : A 83 GLN : amide:sc= 0.502 K(o=0.5,f=-6.8!) USER MOD Single : A 84 SER OG : rot -73:sc= 0.856 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 17.750 2.109 3.114 1.00 0.00 N ATOM 2 CA GLY A 0 19.133 1.648 3.128 1.00 0.00 C ATOM 3 C GLY A 0 19.874 1.970 1.836 1.00 0.00 C ATOM 4 O GLY A 0 20.664 1.155 1.364 1.00 0.00 O ATOM 0 H1 GLY A 0 17.414 2.229 4.091 1.00 0.00 H new ATOM 0 H2 GLY A 0 17.693 3.019 2.614 1.00 0.00 H new ATOM 0 H3 GLY A 0 17.155 1.408 2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 0 19.656 2.108 3.966 1.00 0.00 H new ATOM 0 HA3 GLY A 0 19.151 0.571 3.293 1.00 0.00 H new ATOM 10 N MET A 1 19.634 3.158 1.278 1.00 0.00 N ATOM 11 CA MET A 1 20.284 3.614 0.036 1.00 0.00 C ATOM 12 C MET A 1 19.851 5.035 -0.255 1.00 0.00 C ATOM 13 O MET A 1 20.666 5.912 -0.508 1.00 0.00 O ATOM 14 CB MET A 1 19.939 2.711 -1.174 1.00 0.00 C ATOM 15 CG MET A 1 20.629 3.137 -2.469 1.00 0.00 C ATOM 16 SD MET A 1 20.270 2.045 -3.865 1.00 0.00 S ATOM 17 CE MET A 1 21.200 2.863 -5.162 1.00 0.00 C ATOM 0 H MET A 1 18.982 3.837 1.672 1.00 0.00 H new ATOM 0 HA MET A 1 21.363 3.561 0.185 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.221 1.684 -0.943 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.860 2.719 -1.327 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.319 4.151 -2.721 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.706 3.165 -2.306 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.084 2.312 -6.096 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.828 3.879 -5.291 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.255 2.895 -4.889 1.00 0.00 H new ATOM 27 N ALA A 2 18.567 5.241 -0.203 1.00 0.00 N ATOM 28 CA ALA A 2 17.963 6.524 -0.413 1.00 0.00 C ATOM 29 C ALA A 2 16.764 6.584 0.487 1.00 0.00 C ATOM 30 O ALA A 2 15.731 5.978 0.194 1.00 0.00 O ATOM 31 CB ALA A 2 17.560 6.709 -1.877 1.00 0.00 C ATOM 0 H ALA A 2 17.893 4.501 -0.008 1.00 0.00 H new ATOM 0 HA ALA A 2 18.664 7.326 -0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 2 17.104 7.691 -2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 2 18.444 6.632 -2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 2 16.844 5.936 -2.158 1.00 0.00 H new ATOM 37 N GLU A 3 16.927 7.236 1.606 1.00 0.00 N ATOM 38 CA GLU A 3 15.905 7.261 2.615 1.00 0.00 C ATOM 39 C GLU A 3 14.966 8.417 2.338 1.00 0.00 C ATOM 40 O GLU A 3 15.329 9.587 2.512 1.00 0.00 O ATOM 41 CB GLU A 3 16.526 7.403 4.018 1.00 0.00 C ATOM 42 CG GLU A 3 17.783 6.549 4.266 1.00 0.00 C ATOM 43 CD GLU A 3 17.632 5.084 3.903 1.00 0.00 C ATOM 44 OE1 GLU A 3 17.140 4.288 4.711 1.00 0.00 O1- ATOM 45 OE2 GLU A 3 18.059 4.688 2.785 1.00 0.00 O ATOM 0 H GLU A 3 17.768 7.762 1.843 1.00 0.00 H new ATOM 0 HA GLU A 3 15.351 6.323 2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 3 16.779 8.450 4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 3 15.773 7.137 4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.610 6.968 3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 3 18.055 6.623 5.319 1.00 0.00 H new ATOM 52 N VAL A 4 13.801 8.094 1.867 1.00 0.00 N ATOM 53 CA VAL A 4 12.799 9.064 1.520 1.00 0.00 C ATOM 54 C VAL A 4 11.484 8.303 1.366 1.00 0.00 C ATOM 55 O VAL A 4 11.483 7.076 1.487 1.00 0.00 O ATOM 56 CB VAL A 4 13.193 9.819 0.186 1.00 0.00 C ATOM 57 CG1 VAL A 4 13.168 8.901 -1.031 1.00 0.00 C ATOM 58 CG2 VAL A 4 12.365 11.085 -0.050 1.00 0.00 C ATOM 0 H VAL A 4 13.511 7.129 1.708 1.00 0.00 H new ATOM 0 HA VAL A 4 12.706 9.829 2.291 1.00 0.00 H new ATOM 0 HB VAL A 4 14.225 10.142 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.446 9.468 -1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.875 8.085 -0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.165 8.494 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.681 11.559 -0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.309 10.822 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.514 11.777 0.779 1.00 0.00 H new ATOM 68 N GLU A 5 10.386 9.009 1.153 1.00 0.00 N ATOM 69 CA GLU A 5 9.117 8.408 0.946 1.00 0.00 C ATOM 70 C GLU A 5 9.126 7.555 -0.291 1.00 0.00 C ATOM 71 O GLU A 5 9.413 8.029 -1.398 1.00 0.00 O ATOM 72 CB GLU A 5 8.056 9.478 0.774 1.00 0.00 C ATOM 73 CG GLU A 5 6.718 8.928 0.390 1.00 0.00 C ATOM 74 CD GLU A 5 5.803 9.899 -0.307 1.00 0.00 C ATOM 75 OE1 GLU A 5 5.203 10.752 0.356 1.00 0.00 O1- ATOM 76 OE2 GLU A 5 5.623 9.765 -1.535 1.00 0.00 O ATOM 0 H GLU A 5 10.371 10.028 1.122 1.00 0.00 H new ATOM 0 HA GLU A 5 8.896 7.790 1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.958 10.036 1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.383 10.185 0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.870 8.066 -0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.220 8.565 1.289 1.00 0.00 H new ATOM 83 N TYR A 6 8.862 6.331 -0.100 1.00 0.00 N ATOM 84 CA TYR A 6 8.638 5.454 -1.180 1.00 0.00 C ATOM 85 C TYR A 6 7.213 5.041 -1.203 1.00 0.00 C ATOM 86 O TYR A 6 6.767 4.193 -0.439 1.00 0.00 O ATOM 87 CB TYR A 6 9.629 4.317 -1.242 1.00 0.00 C ATOM 88 CG TYR A 6 10.907 4.773 -1.871 1.00 0.00 C ATOM 89 CD1 TYR A 6 10.940 5.040 -3.229 1.00 0.00 C ATOM 90 CD2 TYR A 6 12.061 4.967 -1.132 1.00 0.00 C ATOM 91 CE1 TYR A 6 12.089 5.480 -3.840 1.00 0.00 C ATOM 92 CE2 TYR A 6 13.219 5.409 -1.736 1.00 0.00 C ATOM 93 CZ TYR A 6 13.226 5.661 -3.095 1.00 0.00 C ATOM 94 OH TYR A 6 14.368 6.101 -3.705 1.00 0.00 O ATOM 0 H TYR A 6 8.793 5.897 0.821 1.00 0.00 H new ATOM 0 HA TYR A 6 8.828 5.990 -2.110 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.824 3.941 -0.238 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.209 3.491 -1.815 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.046 4.900 -3.819 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.054 4.770 -0.070 1.00 0.00 H new ATOM 0 HE1 TYR A 6 12.097 5.682 -4.901 1.00 0.00 H new ATOM 0 HE2 TYR A 6 14.115 5.557 -1.151 1.00 0.00 H new ATOM 0 HH TYR A 6 14.901 6.620 -3.067 1.00 0.00 H new ATOM 104 N ARG A 7 6.499 5.715 -2.032 1.00 0.00 N ATOM 105 CA ARG A 7 5.091 5.595 -2.135 1.00 0.00 C ATOM 106 C ARG A 7 4.734 4.452 -3.069 1.00 0.00 C ATOM 107 O ARG A 7 5.161 4.418 -4.209 1.00 0.00 O ATOM 108 CB ARG A 7 4.561 6.909 -2.687 1.00 0.00 C ATOM 109 CG ARG A 7 3.044 7.053 -2.709 1.00 0.00 C ATOM 110 CD ARG A 7 2.444 7.160 -1.306 1.00 0.00 C ATOM 111 NE ARG A 7 2.895 8.352 -0.562 1.00 0.00 N ATOM 112 CZ ARG A 7 2.435 8.705 0.668 1.00 0.00 C ATOM 113 NH1 ARG A 7 1.414 8.035 1.225 1.00 0.00 N1+ ATOM 114 NH2 ARG A 7 2.985 9.724 1.322 1.00 0.00 N ATOM 0 H ARG A 7 6.897 6.392 -2.683 1.00 0.00 H new ATOM 0 HA ARG A 7 4.650 5.384 -1.161 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.976 7.724 -2.095 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.934 7.031 -3.704 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.775 7.939 -3.284 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.609 6.196 -3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.357 7.181 -1.385 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.706 6.267 -0.739 1.00 0.00 H new ATOM 0 HE ARG A 7 3.597 8.950 -0.998 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.981 7.258 0.725 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.071 8.302 2.148 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.755 10.244 0.901 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.637 9.985 2.244 1.00 0.00 H new ATOM 128 N CYS A 8 3.979 3.532 -2.571 1.00 0.00 N ATOM 129 CA CYS A 8 3.508 2.423 -3.339 1.00 0.00 C ATOM 130 C CYS A 8 1.998 2.536 -3.487 1.00 0.00 C ATOM 131 O CYS A 8 1.306 3.014 -2.562 1.00 0.00 O ATOM 132 CB CYS A 8 3.882 1.112 -2.649 1.00 0.00 C ATOM 133 SG CYS A 8 3.337 -0.371 -3.520 1.00 0.00 S ATOM 0 H CYS A 8 3.664 3.527 -1.601 1.00 0.00 H new ATOM 0 HA CYS A 8 3.971 2.431 -4.326 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.965 1.073 -2.533 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.454 1.108 -1.647 1.00 0.00 H new ATOM 0 HG CYS A 8 3.195 -0.104 -4.784 1.00 0.00 H new ATOM 139 N PHE A 9 1.491 2.134 -4.630 1.00 0.00 N ATOM 140 CA PHE A 9 0.078 2.188 -4.903 1.00 0.00 C ATOM 141 C PHE A 9 -0.495 0.791 -4.815 1.00 0.00 C ATOM 142 O PHE A 9 -0.066 -0.124 -5.556 1.00 0.00 O ATOM 143 CB PHE A 9 -0.175 2.780 -6.306 1.00 0.00 C ATOM 144 CG PHE A 9 -1.637 2.950 -6.688 1.00 0.00 C ATOM 145 CD1 PHE A 9 -2.364 1.908 -7.258 1.00 0.00 C ATOM 146 CD2 PHE A 9 -2.271 4.160 -6.492 1.00 0.00 C ATOM 147 CE1 PHE A 9 -3.686 2.079 -7.615 1.00 0.00 C ATOM 148 CE2 PHE A 9 -3.592 4.336 -6.845 1.00 0.00 C ATOM 149 CZ PHE A 9 -4.301 3.294 -7.408 1.00 0.00 C ATOM 0 H PHE A 9 2.050 1.760 -5.397 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.409 2.830 -4.169 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.314 3.752 -6.365 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.304 2.137 -7.045 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.887 0.953 -7.423 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.724 4.982 -6.055 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.237 1.262 -8.056 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.072 5.289 -6.681 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.336 3.431 -7.686 1.00 0.00 H new ATOM 159 N VAL A 10 -1.429 0.609 -3.922 1.00 0.00 N ATOM 160 CA VAL A 10 -2.085 -0.650 -3.777 1.00 0.00 C ATOM 161 C VAL A 10 -3.547 -0.459 -4.109 1.00 0.00 C ATOM 162 O VAL A 10 -4.269 0.242 -3.403 1.00 0.00 O ATOM 163 CB VAL A 10 -1.951 -1.216 -2.338 1.00 0.00 C ATOM 164 CG1 VAL A 10 -2.591 -2.592 -2.242 1.00 0.00 C ATOM 165 CG2 VAL A 10 -0.493 -1.278 -1.907 1.00 0.00 C ATOM 0 H VAL A 10 -1.752 1.331 -3.278 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.616 -1.367 -4.451 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.476 -0.540 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.487 -2.972 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.649 -2.520 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.097 -3.272 -2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.429 -1.678 -0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.061 -1.924 -2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.064 -0.276 -1.928 1.00 0.00 H new ATOM 175 N GLY A 11 -3.967 -1.069 -5.166 1.00 0.00 N ATOM 176 CA GLY A 11 -5.317 -0.974 -5.598 1.00 0.00 C ATOM 177 C GLY A 11 -5.946 -2.320 -5.636 1.00 0.00 C ATOM 178 O GLY A 11 -5.257 -3.324 -5.783 1.00 0.00 O ATOM 0 H GLY A 11 -3.376 -1.652 -5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.876 -0.324 -4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.357 -0.519 -6.588 1.00 0.00 H new ATOM 182 N GLY A 12 -7.225 -2.367 -5.474 1.00 0.00 N ATOM 183 CA GLY A 12 -7.889 -3.623 -5.507 1.00 0.00 C ATOM 184 C GLY A 12 -7.892 -4.255 -4.153 1.00 0.00 C ATOM 185 O GLY A 12 -7.636 -5.450 -4.008 1.00 0.00 O ATOM 0 H GLY A 12 -7.826 -1.558 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.914 -3.489 -5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.395 -4.282 -6.220 1.00 0.00 H new ATOM 189 N LEU A 13 -8.161 -3.447 -3.177 1.00 0.00 N ATOM 190 CA LEU A 13 -8.272 -3.877 -1.818 1.00 0.00 C ATOM 191 C LEU A 13 -9.710 -4.236 -1.564 1.00 0.00 C ATOM 192 O LEU A 13 -10.571 -4.044 -2.438 1.00 0.00 O ATOM 193 CB LEU A 13 -7.837 -2.752 -0.878 1.00 0.00 C ATOM 194 CG LEU A 13 -6.366 -2.348 -0.952 1.00 0.00 C ATOM 195 CD1 LEU A 13 -6.122 -1.100 -0.155 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.492 -3.459 -0.422 1.00 0.00 C ATOM 0 H LEU A 13 -8.313 -2.447 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.630 -4.739 -1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.446 -1.873 -1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.059 -3.054 0.145 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.117 -2.159 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.069 -0.827 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.732 -0.289 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.388 -1.276 0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.446 -3.158 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.753 -3.664 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.645 -4.358 -1.019 1.00 0.00 H new ATOM 208 N ALA A 14 -9.991 -4.742 -0.417 1.00 0.00 N ATOM 209 CA ALA A 14 -11.323 -5.086 -0.093 1.00 0.00 C ATOM 210 C ALA A 14 -11.965 -3.876 0.555 1.00 0.00 C ATOM 211 O ALA A 14 -11.271 -3.022 1.095 1.00 0.00 O ATOM 212 CB ALA A 14 -11.339 -6.283 0.841 1.00 0.00 C ATOM 0 H ALA A 14 -9.307 -4.927 0.317 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.881 -5.365 -0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.370 -6.540 1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.859 -7.131 0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.800 -6.038 1.756 1.00 0.00 H new ATOM 218 N TRP A 15 -13.269 -3.782 0.515 1.00 0.00 N ATOM 219 CA TRP A 15 -13.948 -2.654 1.110 1.00 0.00 C ATOM 220 C TRP A 15 -13.922 -2.660 2.629 1.00 0.00 C ATOM 221 O TRP A 15 -14.366 -1.719 3.266 1.00 0.00 O ATOM 222 CB TRP A 15 -15.336 -2.442 0.530 1.00 0.00 C ATOM 223 CG TRP A 15 -15.253 -1.839 -0.832 1.00 0.00 C ATOM 224 CD1 TRP A 15 -15.320 -0.527 -1.129 1.00 0.00 C ATOM 225 CD2 TRP A 15 -15.042 -2.518 -2.064 1.00 0.00 C ATOM 226 NE1 TRP A 15 -15.172 -0.332 -2.476 1.00 0.00 N ATOM 227 CE2 TRP A 15 -15.006 -1.547 -3.078 1.00 0.00 C ATOM 228 CE3 TRP A 15 -14.888 -3.848 -2.398 1.00 0.00 C ATOM 229 CZ2 TRP A 15 -14.818 -1.876 -4.416 1.00 0.00 C ATOM 230 CZ3 TRP A 15 -14.701 -4.188 -3.724 1.00 0.00 C ATOM 231 CH2 TRP A 15 -14.669 -3.202 -4.721 1.00 0.00 C ATOM 0 H TRP A 15 -13.883 -4.470 0.078 1.00 0.00 H new ATOM 0 HA TRP A 15 -13.367 -1.775 0.829 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -15.864 -3.394 0.480 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -15.914 -1.792 1.186 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -15.470 0.261 -0.406 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -15.184 0.571 -2.951 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -14.913 -4.611 -1.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -14.791 -1.116 -5.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -14.578 -5.226 -3.996 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -14.524 -3.495 -5.750 1.00 0.00 H new ATOM 242 N ALA A 16 -13.403 -3.735 3.189 1.00 0.00 N ATOM 243 CA ALA A 16 -13.236 -3.862 4.614 1.00 0.00 C ATOM 244 C ALA A 16 -11.765 -3.665 4.995 1.00 0.00 C ATOM 245 O ALA A 16 -11.415 -3.720 6.170 1.00 0.00 O ATOM 246 CB ALA A 16 -13.728 -5.224 5.078 1.00 0.00 C ATOM 0 H ALA A 16 -13.085 -4.547 2.660 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.827 -3.091 5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.597 -5.310 6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.784 -5.333 4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.156 -6.007 4.580 1.00 0.00 H new ATOM 252 N THR A 17 -10.916 -3.426 3.992 1.00 0.00 N ATOM 253 CA THR A 17 -9.502 -3.237 4.220 1.00 0.00 C ATOM 254 C THR A 17 -9.247 -1.936 4.957 1.00 0.00 C ATOM 255 O THR A 17 -9.635 -0.850 4.501 1.00 0.00 O ATOM 256 CB THR A 17 -8.696 -3.261 2.891 1.00 0.00 C ATOM 257 OG1 THR A 17 -8.862 -4.535 2.259 1.00 0.00 O ATOM 258 CG2 THR A 17 -7.207 -3.021 3.141 1.00 0.00 C ATOM 0 H THR A 17 -11.196 -3.361 3.013 1.00 0.00 H new ATOM 0 HA THR A 17 -9.160 -4.069 4.836 1.00 0.00 H new ATOM 0 HB THR A 17 -9.073 -2.464 2.250 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.041 -4.771 1.778 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.671 -3.044 2.192 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.069 -2.048 3.612 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.818 -3.800 3.797 1.00 0.00 H new ATOM 266 N THR A 18 -8.611 -2.047 6.082 1.00 0.00 N ATOM 267 CA THR A 18 -8.291 -0.912 6.872 1.00 0.00 C ATOM 268 C THR A 18 -6.821 -0.612 6.693 1.00 0.00 C ATOM 269 O THR A 18 -6.061 -1.473 6.256 1.00 0.00 O ATOM 270 CB THR A 18 -8.574 -1.179 8.371 1.00 0.00 C ATOM 271 OG1 THR A 18 -7.787 -2.295 8.840 1.00 0.00 O ATOM 272 CG2 THR A 18 -10.051 -1.463 8.609 1.00 0.00 C ATOM 0 H THR A 18 -8.300 -2.935 6.475 1.00 0.00 H new ATOM 0 HA THR A 18 -8.906 -0.070 6.553 1.00 0.00 H new ATOM 0 HB THR A 18 -8.298 -0.282 8.926 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.597 -2.899 8.092 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.220 -1.647 9.670 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.642 -0.605 8.291 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.349 -2.341 8.037 1.00 0.00 H new ATOM 280 N ASP A 19 -6.403 0.587 7.009 1.00 0.00 N ATOM 281 CA ASP A 19 -4.987 0.899 6.947 1.00 0.00 C ATOM 282 C ASP A 19 -4.217 0.218 8.039 1.00 0.00 C ATOM 283 O ASP A 19 -3.017 -0.001 7.926 1.00 0.00 O ATOM 284 CB ASP A 19 -4.675 2.386 6.810 1.00 0.00 C ATOM 285 CG ASP A 19 -5.567 3.326 7.573 1.00 0.00 C ATOM 286 OD1 ASP A 19 -5.350 3.590 8.749 1.00 0.00 O1- ATOM 287 OD2 ASP A 19 -6.487 3.900 6.952 1.00 0.00 O ATOM 0 H ASP A 19 -7.005 1.355 7.307 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.631 0.477 6.007 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.647 2.551 7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.723 2.650 5.754 1.00 0.00 H new ATOM 292 N GLN A 20 -4.937 -0.161 9.064 1.00 0.00 N ATOM 293 CA GLN A 20 -4.408 -0.965 10.144 1.00 0.00 C ATOM 294 C GLN A 20 -3.974 -2.341 9.596 1.00 0.00 C ATOM 295 O GLN A 20 -2.860 -2.793 9.838 1.00 0.00 O ATOM 296 CB GLN A 20 -5.475 -1.147 11.223 1.00 0.00 C ATOM 297 CG GLN A 20 -5.018 -1.969 12.410 1.00 0.00 C ATOM 298 CD GLN A 20 -6.137 -2.234 13.377 1.00 0.00 C ATOM 299 OE1 GLN A 20 -6.367 -1.487 14.308 1.00 0.00 O ATOM 300 NE2 GLN A 20 -6.859 -3.290 13.137 1.00 0.00 N ATOM 0 H GLN A 20 -5.921 0.082 9.176 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.544 -0.463 10.581 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.792 -0.165 11.575 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.349 -1.624 10.779 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.611 -2.917 12.059 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.211 -1.446 12.924 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.634 -3.893 12.345 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.650 -3.515 13.741 1.00 0.00 H new ATOM 309 N THR A 21 -4.858 -2.985 8.839 1.00 0.00 N ATOM 310 CA THR A 21 -4.558 -4.282 8.260 1.00 0.00 C ATOM 311 C THR A 21 -3.582 -4.154 7.081 1.00 0.00 C ATOM 312 O THR A 21 -2.697 -4.994 6.901 1.00 0.00 O ATOM 313 CB THR A 21 -5.857 -5.046 7.858 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.753 -4.178 7.126 1.00 0.00 O ATOM 315 CG2 THR A 21 -6.574 -5.581 9.091 1.00 0.00 C ATOM 0 H THR A 21 -5.786 -2.626 8.615 1.00 0.00 H new ATOM 0 HA THR A 21 -4.063 -4.878 9.027 1.00 0.00 H new ATOM 0 HB THR A 21 -5.566 -5.882 7.223 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.252 -4.704 6.466 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.477 -6.110 8.786 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.916 -6.265 9.626 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.843 -4.751 9.744 1.00 0.00 H new ATOM 323 N LEU A 22 -3.730 -3.072 6.318 1.00 0.00 N ATOM 324 CA LEU A 22 -2.864 -2.776 5.179 1.00 0.00 C ATOM 325 C LEU A 22 -1.412 -2.613 5.624 1.00 0.00 C ATOM 326 O LEU A 22 -0.519 -3.288 5.108 1.00 0.00 O ATOM 327 CB LEU A 22 -3.307 -1.473 4.499 1.00 0.00 C ATOM 328 CG LEU A 22 -2.551 -1.079 3.226 1.00 0.00 C ATOM 329 CD1 LEU A 22 -2.909 -2.002 2.076 1.00 0.00 C ATOM 330 CD2 LEU A 22 -2.811 0.374 2.870 1.00 0.00 C ATOM 0 H LEU A 22 -4.457 -2.374 6.474 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.941 -3.611 4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.366 -1.558 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.210 -0.661 5.220 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.483 -1.187 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.360 -1.702 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.645 -3.027 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.980 -1.941 1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.264 0.630 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.878 0.523 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.478 1.014 3.687 1.00 0.00 H new ATOM 342 N GLY A 23 -1.202 -1.722 6.593 1.00 0.00 N ATOM 343 CA GLY A 23 0.129 -1.384 7.053 1.00 0.00 C ATOM 344 C GLY A 23 0.918 -2.569 7.525 1.00 0.00 C ATOM 345 O GLY A 23 1.941 -2.888 6.934 1.00 0.00 O ATOM 0 H GLY A 23 -1.950 -1.221 7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.671 -0.895 6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.051 -0.662 7.866 1.00 0.00 H new ATOM 349 N GLU A 24 0.387 -3.281 8.507 1.00 0.00 N ATOM 350 CA GLU A 24 1.078 -4.423 9.109 1.00 0.00 C ATOM 351 C GLU A 24 1.368 -5.544 8.126 1.00 0.00 C ATOM 352 O GLU A 24 2.345 -6.287 8.278 1.00 0.00 O ATOM 353 CB GLU A 24 0.352 -4.919 10.349 1.00 0.00 C ATOM 354 CG GLU A 24 0.412 -3.916 11.485 1.00 0.00 C ATOM 355 CD GLU A 24 1.850 -3.601 11.874 1.00 0.00 C ATOM 356 OE1 GLU A 24 2.478 -2.729 11.219 1.00 0.00 O1- ATOM 357 OE2 GLU A 24 2.363 -4.242 12.802 1.00 0.00 O ATOM 0 H GLU A 24 -0.530 -3.089 8.911 1.00 0.00 H new ATOM 0 HA GLU A 24 2.056 -4.056 9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.690 -5.123 10.101 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.793 -5.861 10.674 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.096 -2.998 11.189 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.122 -4.311 12.349 1.00 0.00 H new ATOM 364 N ALA A 25 0.539 -5.659 7.111 1.00 0.00 N ATOM 365 CA ALA A 25 0.751 -6.640 6.076 1.00 0.00 C ATOM 366 C ALA A 25 2.043 -6.321 5.313 1.00 0.00 C ATOM 367 O ALA A 25 2.815 -7.215 4.960 1.00 0.00 O ATOM 368 CB ALA A 25 -0.433 -6.660 5.135 1.00 0.00 C ATOM 0 H ALA A 25 -0.291 -5.081 6.983 1.00 0.00 H new ATOM 0 HA ALA A 25 0.850 -7.627 6.529 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.266 -7.403 4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.335 -6.914 5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.552 -5.677 4.679 1.00 0.00 H new ATOM 374 N PHE A 26 2.290 -5.045 5.108 1.00 0.00 N ATOM 375 CA PHE A 26 3.467 -4.592 4.401 1.00 0.00 C ATOM 376 C PHE A 26 4.655 -4.404 5.343 1.00 0.00 C ATOM 377 O PHE A 26 5.803 -4.444 4.903 1.00 0.00 O ATOM 378 CB PHE A 26 3.181 -3.326 3.580 1.00 0.00 C ATOM 379 CG PHE A 26 2.305 -3.568 2.368 1.00 0.00 C ATOM 380 CD1 PHE A 26 0.926 -3.566 2.465 1.00 0.00 C ATOM 381 CD2 PHE A 26 2.876 -3.801 1.131 1.00 0.00 C ATOM 382 CE1 PHE A 26 0.139 -3.792 1.353 1.00 0.00 C ATOM 383 CE2 PHE A 26 2.097 -4.026 0.017 1.00 0.00 C ATOM 384 CZ PHE A 26 0.726 -4.022 0.128 1.00 0.00 C ATOM 0 H PHE A 26 1.680 -4.293 5.427 1.00 0.00 H new ATOM 0 HA PHE A 26 3.742 -5.376 3.695 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.700 -2.588 4.223 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.127 -2.895 3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.459 -3.386 3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.952 -3.807 1.036 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.937 -3.788 1.444 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.562 -4.205 -0.941 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.112 -4.199 -0.742 1.00 0.00 H new ATOM 394 N SER A 27 4.379 -4.230 6.637 1.00 0.00 N ATOM 395 CA SER A 27 5.429 -4.125 7.667 1.00 0.00 C ATOM 396 C SER A 27 6.248 -5.422 7.734 1.00 0.00 C ATOM 397 O SER A 27 7.404 -5.427 8.142 1.00 0.00 O ATOM 398 CB SER A 27 4.800 -3.842 9.040 1.00 0.00 C ATOM 399 OG SER A 27 3.989 -2.684 9.001 1.00 0.00 O ATOM 0 H SER A 27 3.430 -4.158 7.004 1.00 0.00 H new ATOM 0 HA SER A 27 6.091 -3.302 7.398 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.202 -4.698 9.353 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.586 -3.714 9.784 1.00 0.00 H new ATOM 0 HG SER A 27 3.610 -2.520 9.890 1.00 0.00 H new ATOM 405 N GLN A 28 5.629 -6.511 7.296 1.00 0.00 N ATOM 406 CA GLN A 28 6.256 -7.815 7.278 1.00 0.00 C ATOM 407 C GLN A 28 7.292 -7.890 6.133 1.00 0.00 C ATOM 408 O GLN A 28 8.164 -8.746 6.124 1.00 0.00 O ATOM 409 CB GLN A 28 5.165 -8.879 7.084 1.00 0.00 C ATOM 410 CG GLN A 28 5.630 -10.311 7.270 1.00 0.00 C ATOM 411 CD GLN A 28 6.084 -10.596 8.692 1.00 0.00 C ATOM 412 OE1 GLN A 28 7.237 -10.441 9.034 1.00 0.00 O ATOM 413 NE2 GLN A 28 5.167 -11.008 9.530 1.00 0.00 N ATOM 0 H GLN A 28 4.672 -6.508 6.942 1.00 0.00 H new ATOM 0 HA GLN A 28 6.777 -7.991 8.219 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.356 -8.681 7.787 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.750 -8.774 6.082 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.818 -10.990 7.008 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.451 -10.515 6.582 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.205 -11.129 9.214 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.415 -11.208 10.499 1.00 0.00 H new ATOM 422 N PHE A 29 7.172 -6.980 5.183 1.00 0.00 N ATOM 423 CA PHE A 29 8.070 -6.940 4.039 1.00 0.00 C ATOM 424 C PHE A 29 9.076 -5.811 4.160 1.00 0.00 C ATOM 425 O PHE A 29 10.266 -6.000 3.919 1.00 0.00 O ATOM 426 CB PHE A 29 7.294 -6.791 2.718 1.00 0.00 C ATOM 427 CG PHE A 29 6.600 -8.038 2.235 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.399 -8.457 2.791 1.00 0.00 C ATOM 429 CD2 PHE A 29 7.157 -8.791 1.212 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.774 -9.604 2.335 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.536 -9.932 0.755 1.00 0.00 C ATOM 432 CZ PHE A 29 5.344 -10.342 1.315 1.00 0.00 C ATOM 0 H PHE A 29 6.456 -6.253 5.180 1.00 0.00 H new ATOM 0 HA PHE A 29 8.605 -7.890 4.030 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.549 -6.005 2.840 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.986 -6.457 1.945 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.948 -7.882 3.587 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.090 -8.478 0.768 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.841 -9.923 2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.983 -10.507 -0.043 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.857 -11.237 0.957 1.00 0.00 H new ATOM 442 N GLY A 30 8.624 -4.641 4.558 1.00 0.00 N ATOM 443 CA GLY A 30 9.526 -3.548 4.581 1.00 0.00 C ATOM 444 C GLY A 30 9.189 -2.467 5.562 1.00 0.00 C ATOM 445 O GLY A 30 8.139 -2.476 6.187 1.00 0.00 O ATOM 0 H GLY A 30 7.670 -4.441 4.857 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.523 -3.925 4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.569 -3.111 3.583 1.00 0.00 H new ATOM 449 N GLU A 31 10.115 -1.539 5.662 1.00 0.00 N ATOM 450 CA GLU A 31 10.045 -0.361 6.507 1.00 0.00 C ATOM 451 C GLU A 31 8.924 0.571 6.078 1.00 0.00 C ATOM 452 O GLU A 31 8.962 1.126 4.973 1.00 0.00 O ATOM 453 CB GLU A 31 11.371 0.361 6.387 1.00 0.00 C ATOM 454 CG GLU A 31 12.488 -0.267 7.176 1.00 0.00 C ATOM 455 CD GLU A 31 12.604 0.378 8.524 1.00 0.00 C ATOM 456 OE1 GLU A 31 11.598 0.508 9.226 1.00 0.00 O ATOM 457 OE2 GLU A 31 13.684 0.884 8.854 1.00 0.00 O1- ATOM 0 H GLU A 31 10.984 -1.586 5.129 1.00 0.00 H new ATOM 0 HA GLU A 31 9.842 -0.664 7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.659 0.397 5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.242 1.392 6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.304 -1.335 7.292 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.428 -0.162 6.634 1.00 0.00 H new ATOM 464 N ILE A 32 7.969 0.759 6.952 1.00 0.00 N ATOM 465 CA ILE A 32 6.800 1.583 6.681 1.00 0.00 C ATOM 466 C ILE A 32 6.956 2.957 7.355 1.00 0.00 C ATOM 467 O ILE A 32 7.565 3.070 8.418 1.00 0.00 O ATOM 468 CB ILE A 32 5.494 0.886 7.216 1.00 0.00 C ATOM 469 CG1 ILE A 32 5.351 -0.534 6.644 1.00 0.00 C ATOM 470 CG2 ILE A 32 4.235 1.705 6.910 1.00 0.00 C ATOM 471 CD1 ILE A 32 5.257 -0.597 5.134 1.00 0.00 C ATOM 0 H ILE A 32 7.973 0.344 7.884 1.00 0.00 H new ATOM 0 HA ILE A 32 6.716 1.712 5.602 1.00 0.00 H new ATOM 0 HB ILE A 32 5.595 0.822 8.299 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.205 -1.130 6.967 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.460 -0.996 7.070 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.359 1.185 7.298 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.314 2.684 7.382 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.135 1.829 5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.159 -1.636 4.819 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.387 -0.032 4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.158 -0.168 4.695 1.00 0.00 H new ATOM 483 N LEU A 33 6.472 3.989 6.692 1.00 0.00 N ATOM 484 CA LEU A 33 6.432 5.339 7.253 1.00 0.00 C ATOM 485 C LEU A 33 4.987 5.765 7.440 1.00 0.00 C ATOM 486 O LEU A 33 4.642 6.440 8.400 1.00 0.00 O ATOM 487 CB LEU A 33 7.105 6.356 6.314 1.00 0.00 C ATOM 488 CG LEU A 33 8.574 6.127 5.967 1.00 0.00 C ATOM 489 CD1 LEU A 33 9.069 7.219 5.026 1.00 0.00 C ATOM 490 CD2 LEU A 33 9.421 6.089 7.228 1.00 0.00 C ATOM 0 H LEU A 33 6.093 3.922 5.747 1.00 0.00 H new ATOM 0 HA LEU A 33 6.964 5.319 8.204 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.539 6.381 5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.016 7.343 6.767 1.00 0.00 H new ATOM 0 HG LEU A 33 8.666 5.164 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.118 7.045 4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.480 7.204 4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.964 8.191 5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.465 5.925 6.960 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.327 7.037 7.758 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.080 5.278 7.871 1.00 0.00 H new ATOM 502 N ASP A 34 4.159 5.330 6.517 1.00 0.00 N ATOM 503 CA ASP A 34 2.758 5.723 6.427 1.00 0.00 C ATOM 504 C ASP A 34 2.012 4.687 5.622 1.00 0.00 C ATOM 505 O ASP A 34 2.598 4.048 4.755 1.00 0.00 O ATOM 506 CB ASP A 34 2.647 7.126 5.766 1.00 0.00 C ATOM 507 CG ASP A 34 1.294 7.414 5.126 1.00 0.00 C ATOM 508 OD1 ASP A 34 0.293 7.495 5.844 1.00 0.00 O1- ATOM 509 OD2 ASP A 34 1.248 7.527 3.862 1.00 0.00 O ATOM 0 H ASP A 34 4.442 4.676 5.787 1.00 0.00 H new ATOM 0 HA ASP A 34 2.319 5.783 7.423 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.848 7.887 6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.422 7.219 5.005 1.00 0.00 H new ATOM 514 N SER A 35 0.783 4.468 5.951 1.00 0.00 N ATOM 515 CA SER A 35 -0.062 3.550 5.246 1.00 0.00 C ATOM 516 C SER A 35 -1.489 3.969 5.465 1.00 0.00 C ATOM 517 O SER A 35 -1.986 3.881 6.586 1.00 0.00 O ATOM 518 CB SER A 35 0.198 2.106 5.710 1.00 0.00 C ATOM 519 OG SER A 35 0.136 2.002 7.126 1.00 0.00 O ATOM 0 H SER A 35 0.323 4.931 6.735 1.00 0.00 H new ATOM 0 HA SER A 35 0.155 3.572 4.178 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.538 1.439 5.261 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.178 1.780 5.361 1.00 0.00 H new ATOM 0 HG SER A 35 -0.629 2.517 7.459 1.00 0.00 H new ATOM 525 N LYS A 36 -2.136 4.454 4.434 1.00 0.00 N ATOM 526 CA LYS A 36 -3.479 4.954 4.574 1.00 0.00 C ATOM 527 C LYS A 36 -4.402 4.477 3.492 1.00 0.00 C ATOM 528 O LYS A 36 -4.028 4.391 2.312 1.00 0.00 O ATOM 529 CB LYS A 36 -3.511 6.488 4.663 1.00 0.00 C ATOM 530 CG LYS A 36 -2.996 7.069 5.982 1.00 0.00 C ATOM 531 CD LYS A 36 -3.775 6.531 7.188 1.00 0.00 C ATOM 532 CE LYS A 36 -5.246 6.915 7.159 1.00 0.00 C ATOM 533 NZ LYS A 36 -5.994 6.258 8.266 1.00 0.00 N1+ ATOM 0 H LYS A 36 -1.754 4.513 3.490 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.846 4.542 5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.916 6.897 3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.536 6.825 4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.939 6.828 6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.074 8.156 5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.688 5.445 7.215 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.323 6.910 8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.344 7.997 7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.681 6.628 6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.628 5.533 7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.322 5.812 8.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.555 6.970 8.776 1.00 0.00 H new ATOM 547 N ILE A 37 -5.604 4.158 3.904 1.00 0.00 N ATOM 548 CA ILE A 37 -6.655 3.764 2.999 1.00 0.00 C ATOM 549 C ILE A 37 -7.411 4.993 2.558 1.00 0.00 C ATOM 550 O ILE A 37 -7.741 5.868 3.381 1.00 0.00 O ATOM 551 CB ILE A 37 -7.645 2.751 3.666 1.00 0.00 C ATOM 552 CG1 ILE A 37 -6.955 1.425 3.948 1.00 0.00 C ATOM 553 CG2 ILE A 37 -8.904 2.527 2.827 1.00 0.00 C ATOM 554 CD1 ILE A 37 -6.439 0.721 2.724 1.00 0.00 C ATOM 0 H ILE A 37 -5.883 4.165 4.885 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.200 3.268 2.142 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.959 3.195 4.610 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.123 1.600 4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.655 0.767 4.463 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.557 1.817 3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.428 3.474 2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.625 2.131 1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.962 -0.215 3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.268 0.510 2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.712 1.356 2.218 1.00 0.00 H new ATOM 566 N ILE A 38 -7.654 5.087 1.283 1.00 0.00 N ATOM 567 CA ILE A 38 -8.425 6.161 0.758 1.00 0.00 C ATOM 568 C ILE A 38 -9.868 5.733 0.816 1.00 0.00 C ATOM 569 O ILE A 38 -10.264 4.757 0.173 1.00 0.00 O ATOM 570 CB ILE A 38 -8.010 6.515 -0.695 1.00 0.00 C ATOM 571 CG1 ILE A 38 -6.508 6.888 -0.743 1.00 0.00 C ATOM 572 CG2 ILE A 38 -8.883 7.643 -1.269 1.00 0.00 C ATOM 573 CD1 ILE A 38 -6.099 8.015 0.206 1.00 0.00 C ATOM 0 H ILE A 38 -7.322 4.421 0.585 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.260 7.064 1.346 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.169 5.637 -1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.920 6.001 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.252 7.179 -1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.566 7.866 -2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.927 7.328 -1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.776 8.535 -0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.031 8.207 0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.656 8.919 -0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.318 7.723 1.233 1.00 0.00 H new ATOM 585 N ASN A 39 -10.634 6.408 1.610 1.00 0.00 N ATOM 586 CA ASN A 39 -12.002 6.025 1.804 1.00 0.00 C ATOM 587 C ASN A 39 -12.945 6.820 0.950 1.00 0.00 C ATOM 588 O ASN A 39 -12.587 7.876 0.394 1.00 0.00 O ATOM 589 CB ASN A 39 -12.412 6.039 3.284 1.00 0.00 C ATOM 590 CG ASN A 39 -11.750 4.918 4.081 1.00 0.00 C ATOM 591 OD1 ASN A 39 -12.279 3.827 4.182 1.00 0.00 O ATOM 592 ND2 ASN A 39 -10.582 5.172 4.632 1.00 0.00 N ATOM 0 H ASN A 39 -10.339 7.230 2.137 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.077 4.990 1.471 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.145 7.000 3.723 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -13.495 5.944 3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.098 4.445 5.159 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.161 6.096 4.532 1.00 0.00 H new ATOM 599 N ASP A 40 -14.126 6.311 0.843 1.00 0.00 N ATOM 600 CA ASP A 40 -15.169 6.857 0.027 1.00 0.00 C ATOM 601 C ASP A 40 -16.068 7.665 0.937 1.00 0.00 C ATOM 602 O ASP A 40 -16.768 7.110 1.766 1.00 0.00 O ATOM 603 CB ASP A 40 -15.947 5.692 -0.598 1.00 0.00 C ATOM 604 CG ASP A 40 -16.946 6.095 -1.643 1.00 0.00 C ATOM 605 OD1 ASP A 40 -17.947 6.733 -1.307 1.00 0.00 O1- ATOM 606 OD2 ASP A 40 -16.743 5.736 -2.835 1.00 0.00 O ATOM 0 H ASP A 40 -14.407 5.467 1.341 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.779 7.490 -0.770 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.236 4.996 -1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -16.467 5.154 0.194 1.00 0.00 H new ATOM 611 N ARG A 41 -16.008 8.962 0.803 1.00 0.00 N ATOM 612 CA ARG A 41 -16.739 9.885 1.683 1.00 0.00 C ATOM 613 C ARG A 41 -18.215 9.797 1.362 1.00 0.00 C ATOM 614 O ARG A 41 -19.066 9.773 2.239 1.00 0.00 O ATOM 615 CB ARG A 41 -16.298 11.314 1.381 1.00 0.00 C ATOM 616 CG ARG A 41 -14.800 11.531 1.322 1.00 0.00 C ATOM 617 CD ARG A 41 -14.487 12.805 0.550 1.00 0.00 C ATOM 618 NE ARG A 41 -15.015 12.733 -0.839 1.00 0.00 N ATOM 619 CZ ARG A 41 -14.753 13.589 -1.839 1.00 0.00 C ATOM 620 NH1 ARG A 41 -13.963 14.651 -1.632 1.00 0.00 N1+ ATOM 621 NH2 ARG A 41 -15.289 13.378 -3.050 1.00 0.00 N ATOM 0 H ARG A 41 -15.454 9.427 0.084 1.00 0.00 H new ATOM 0 HA ARG A 41 -16.544 9.627 2.724 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.730 11.616 0.427 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -16.714 11.974 2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.394 11.599 2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.320 10.678 0.842 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.923 13.662 1.064 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.409 12.963 0.525 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.639 11.955 -1.053 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.557 14.813 -0.710 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.768 15.298 -2.396 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.892 12.571 -3.207 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.094 14.025 -3.814 1.00 0.00 H new ATOM 635 N GLU A 42 -18.458 9.758 0.076 1.00 0.00 N ATOM 636 CA GLU A 42 -19.747 9.771 -0.538 1.00 0.00 C ATOM 637 C GLU A 42 -20.674 8.660 -0.026 1.00 0.00 C ATOM 638 O GLU A 42 -21.841 8.911 0.260 1.00 0.00 O ATOM 639 CB GLU A 42 -19.606 9.721 -2.088 1.00 0.00 C ATOM 640 CG GLU A 42 -18.880 10.937 -2.746 1.00 0.00 C ATOM 641 CD GLU A 42 -17.335 10.952 -2.658 1.00 0.00 C ATOM 642 OE1 GLU A 42 -16.753 10.840 -1.579 1.00 0.00 O1- ATOM 643 OE2 GLU A 42 -16.660 11.108 -3.692 1.00 0.00 O ATOM 0 H GLU A 42 -17.704 9.713 -0.609 1.00 0.00 H new ATOM 0 HA GLU A 42 -20.224 10.709 -0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.067 8.812 -2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.603 9.639 -2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.162 10.973 -3.798 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -19.256 11.849 -2.284 1.00 0.00 H new ATOM 650 N THR A 43 -20.178 7.446 0.071 1.00 0.00 N ATOM 651 CA THR A 43 -21.006 6.357 0.540 1.00 0.00 C ATOM 652 C THR A 43 -20.596 5.851 1.924 1.00 0.00 C ATOM 653 O THR A 43 -21.315 5.060 2.539 1.00 0.00 O ATOM 654 CB THR A 43 -20.967 5.202 -0.456 1.00 0.00 C ATOM 655 OG1 THR A 43 -19.608 4.874 -0.730 1.00 0.00 O ATOM 656 CG2 THR A 43 -21.634 5.584 -1.748 1.00 0.00 C ATOM 0 H THR A 43 -19.219 7.190 -0.165 1.00 0.00 H new ATOM 0 HA THR A 43 -22.020 6.749 0.625 1.00 0.00 H new ATOM 0 HB THR A 43 -21.494 4.352 -0.022 1.00 0.00 H new ATOM 0 HG1 THR A 43 -19.208 5.576 -1.285 1.00 0.00 H new ATOM 0 HG21 THR A 43 -21.593 4.744 -2.441 1.00 0.00 H new ATOM 0 HG22 THR A 43 -22.675 5.846 -1.557 1.00 0.00 H new ATOM 0 HG23 THR A 43 -21.119 6.440 -2.184 1.00 0.00 H new ATOM 664 N GLY A 44 -19.446 6.290 2.400 1.00 0.00 N ATOM 665 CA GLY A 44 -18.957 5.831 3.683 1.00 0.00 C ATOM 666 C GLY A 44 -18.248 4.492 3.568 1.00 0.00 C ATOM 667 O GLY A 44 -18.152 3.743 4.531 1.00 0.00 O ATOM 0 H GLY A 44 -18.840 6.957 1.922 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -18.272 6.571 4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -19.791 5.743 4.380 1.00 0.00 H new ATOM 671 N ARG A 45 -17.769 4.189 2.381 1.00 0.00 N ATOM 672 CA ARG A 45 -17.061 2.935 2.139 1.00 0.00 C ATOM 673 C ARG A 45 -15.575 3.230 1.988 1.00 0.00 C ATOM 674 O ARG A 45 -15.105 4.303 2.327 1.00 0.00 O ATOM 675 CB ARG A 45 -17.520 2.321 0.817 1.00 0.00 C ATOM 676 CG ARG A 45 -19.002 2.111 0.646 1.00 0.00 C ATOM 677 CD ARG A 45 -19.283 1.669 -0.786 1.00 0.00 C ATOM 678 NE ARG A 45 -18.681 2.608 -1.755 1.00 0.00 N ATOM 679 CZ ARG A 45 -18.057 2.295 -2.901 1.00 0.00 C ATOM 680 NH1 ARG A 45 -18.039 1.025 -3.339 1.00 0.00 N1+ ATOM 681 NH2 ARG A 45 -17.449 3.254 -3.610 1.00 0.00 N ATOM 0 H ARG A 45 -17.853 4.791 1.562 1.00 0.00 H new ATOM 0 HA ARG A 45 -17.260 2.258 2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.171 2.960 0.006 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -17.024 1.357 0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -19.358 1.358 1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -19.540 3.033 0.867 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -18.883 0.668 -0.947 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -20.359 1.612 -0.949 1.00 0.00 H new ATOM 0 HE ARG A 45 -18.747 3.600 -1.529 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.501 0.293 -2.800 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.563 0.793 -4.211 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.461 4.219 -3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -16.974 3.020 -4.482 1.00 0.00 H new ATOM 695 N SER A 46 -14.857 2.277 1.470 1.00 0.00 N ATOM 696 CA SER A 46 -13.501 2.475 1.073 1.00 0.00 C ATOM 697 C SER A 46 -13.521 2.752 -0.439 1.00 0.00 C ATOM 698 O SER A 46 -14.539 2.493 -1.103 1.00 0.00 O ATOM 699 CB SER A 46 -12.678 1.211 1.381 1.00 0.00 C ATOM 700 OG SER A 46 -11.325 1.346 0.965 1.00 0.00 O ATOM 0 H SER A 46 -15.204 1.331 1.311 1.00 0.00 H new ATOM 0 HA SER A 46 -13.044 3.306 1.611 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.710 1.008 2.452 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.128 0.354 0.881 1.00 0.00 H new ATOM 0 HG SER A 46 -10.834 0.525 1.178 1.00 0.00 H new ATOM 706 N ARG A 47 -12.451 3.300 -0.983 1.00 0.00 N ATOM 707 CA ARG A 47 -12.376 3.493 -2.426 1.00 0.00 C ATOM 708 C ARG A 47 -11.939 2.199 -3.085 1.00 0.00 C ATOM 709 O ARG A 47 -12.105 2.018 -4.285 1.00 0.00 O ATOM 710 CB ARG A 47 -11.393 4.596 -2.817 1.00 0.00 C ATOM 711 CG ARG A 47 -11.760 6.010 -2.406 1.00 0.00 C ATOM 712 CD ARG A 47 -13.036 6.491 -3.052 1.00 0.00 C ATOM 713 NE ARG A 47 -13.251 7.927 -2.805 1.00 0.00 N ATOM 714 CZ ARG A 47 -14.340 8.637 -3.172 1.00 0.00 C ATOM 715 NH1 ARG A 47 -15.466 8.037 -3.531 1.00 0.00 N1+ ATOM 716 NH2 ARG A 47 -14.320 9.954 -3.094 1.00 0.00 N ATOM 0 H ARG A 47 -11.633 3.616 -0.462 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.369 3.791 -2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.422 4.356 -2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.272 4.576 -3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.868 6.053 -1.322 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.946 6.684 -2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.995 6.306 -4.125 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.880 5.922 -2.663 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.512 8.430 -2.313 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.523 7.019 -3.534 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -16.276 8.594 -3.804 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.484 10.432 -2.758 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.140 10.494 -3.370 1.00 0.00 H new ATOM 730 N GLY A 48 -11.377 1.310 -2.286 1.00 0.00 N ATOM 731 CA GLY A 48 -10.908 0.053 -2.803 1.00 0.00 C ATOM 732 C GLY A 48 -9.428 0.082 -3.105 1.00 0.00 C ATOM 733 O GLY A 48 -8.907 -0.803 -3.796 1.00 0.00 O ATOM 0 H GLY A 48 -11.238 1.441 -1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.115 -0.736 -2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.458 -0.194 -3.711 1.00 0.00 H new ATOM 737 N PHE A 49 -8.738 1.090 -2.596 1.00 0.00 N ATOM 738 CA PHE A 49 -7.311 1.201 -2.792 1.00 0.00 C ATOM 739 C PHE A 49 -6.712 2.061 -1.684 1.00 0.00 C ATOM 740 O PHE A 49 -7.454 2.716 -0.924 1.00 0.00 O ATOM 741 CB PHE A 49 -6.959 1.772 -4.197 1.00 0.00 C ATOM 742 CG PHE A 49 -7.132 3.251 -4.375 1.00 0.00 C ATOM 743 CD1 PHE A 49 -8.369 3.810 -4.621 1.00 0.00 C ATOM 744 CD2 PHE A 49 -6.028 4.078 -4.296 1.00 0.00 C ATOM 745 CE1 PHE A 49 -8.504 5.177 -4.785 1.00 0.00 C ATOM 746 CE2 PHE A 49 -6.151 5.442 -4.457 1.00 0.00 C ATOM 747 CZ PHE A 49 -7.392 5.995 -4.702 1.00 0.00 C ATOM 0 H PHE A 49 -9.149 1.842 -2.043 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.879 0.201 -2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.922 1.520 -4.419 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.576 1.264 -4.938 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.240 3.175 -4.686 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.055 3.650 -4.105 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -9.477 5.605 -4.978 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.279 6.076 -4.392 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.494 7.063 -4.828 1.00 0.00 H new ATOM 757 N GLY A 50 -5.407 2.056 -1.584 1.00 0.00 N ATOM 758 CA GLY A 50 -4.732 2.824 -0.587 1.00 0.00 C ATOM 759 C GLY A 50 -3.282 3.032 -0.947 1.00 0.00 C ATOM 760 O GLY A 50 -2.799 2.499 -1.960 1.00 0.00 O ATOM 0 H GLY A 50 -4.790 1.519 -2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.224 3.790 -0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.801 2.317 0.375 1.00 0.00 H new ATOM 764 N PHE A 51 -2.589 3.782 -0.138 1.00 0.00 N ATOM 765 CA PHE A 51 -1.196 4.070 -0.372 1.00 0.00 C ATOM 766 C PHE A 51 -0.358 3.567 0.768 1.00 0.00 C ATOM 767 O PHE A 51 -0.769 3.639 1.933 1.00 0.00 O ATOM 768 CB PHE A 51 -0.951 5.574 -0.550 1.00 0.00 C ATOM 769 CG PHE A 51 -1.535 6.169 -1.798 1.00 0.00 C ATOM 770 CD1 PHE A 51 -0.836 6.115 -2.992 1.00 0.00 C ATOM 771 CD2 PHE A 51 -2.769 6.794 -1.778 1.00 0.00 C ATOM 772 CE1 PHE A 51 -1.357 6.669 -4.142 1.00 0.00 C ATOM 773 CE2 PHE A 51 -3.295 7.353 -2.925 1.00 0.00 C ATOM 774 CZ PHE A 51 -2.589 7.291 -4.109 1.00 0.00 C ATOM 0 H PHE A 51 -2.971 4.213 0.704 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.912 3.561 -1.293 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.364 6.098 0.312 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.124 5.754 -0.548 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.130 5.633 -3.023 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.327 6.845 -0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.802 6.616 -5.067 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.259 7.839 -2.896 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.999 7.728 -5.007 1.00 0.00 H new ATOM 784 N VAL A 52 0.798 3.049 0.445 1.00 0.00 N ATOM 785 CA VAL A 52 1.727 2.578 1.444 1.00 0.00 C ATOM 786 C VAL A 52 3.036 3.328 1.251 1.00 0.00 C ATOM 787 O VAL A 52 3.504 3.474 0.122 1.00 0.00 O ATOM 788 CB VAL A 52 1.981 1.040 1.342 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.861 0.558 2.486 1.00 0.00 C ATOM 790 CG2 VAL A 52 0.673 0.262 1.329 1.00 0.00 C ATOM 0 H VAL A 52 1.124 2.941 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 52 1.303 2.762 2.431 1.00 0.00 H new ATOM 0 HB VAL A 52 2.498 0.858 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.023 -0.516 2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.820 1.074 2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.371 0.770 3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.885 -0.805 1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.122 0.462 2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.074 0.571 0.472 1.00 0.00 H new ATOM 800 N THR A 53 3.575 3.836 2.311 1.00 0.00 N ATOM 801 CA THR A 53 4.789 4.588 2.274 1.00 0.00 C ATOM 802 C THR A 53 5.906 3.821 2.927 1.00 0.00 C ATOM 803 O THR A 53 5.831 3.473 4.109 1.00 0.00 O ATOM 804 CB THR A 53 4.611 5.913 3.000 1.00 0.00 C ATOM 805 OG1 THR A 53 3.480 6.572 2.465 1.00 0.00 O ATOM 806 CG2 THR A 53 5.831 6.771 2.810 1.00 0.00 C ATOM 0 H THR A 53 3.177 3.739 3.245 1.00 0.00 H new ATOM 0 HA THR A 53 5.039 4.772 1.229 1.00 0.00 H new ATOM 0 HB THR A 53 4.471 5.733 4.066 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.795 6.662 3.160 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.695 7.718 3.333 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.704 6.256 3.212 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.980 6.962 1.747 1.00 0.00 H new ATOM 814 N PHE A 54 6.909 3.562 2.166 1.00 0.00 N ATOM 815 CA PHE A 54 8.070 2.883 2.618 1.00 0.00 C ATOM 816 C PHE A 54 9.188 3.853 2.885 1.00 0.00 C ATOM 817 O PHE A 54 9.177 4.981 2.394 1.00 0.00 O ATOM 818 CB PHE A 54 8.512 1.856 1.600 1.00 0.00 C ATOM 819 CG PHE A 54 7.603 0.673 1.509 1.00 0.00 C ATOM 820 CD1 PHE A 54 6.503 0.688 0.669 1.00 0.00 C ATOM 821 CD2 PHE A 54 7.849 -0.459 2.261 1.00 0.00 C ATOM 822 CE1 PHE A 54 5.672 -0.402 0.583 1.00 0.00 C ATOM 823 CE2 PHE A 54 7.019 -1.551 2.179 1.00 0.00 C ATOM 824 CZ PHE A 54 5.931 -1.519 1.339 1.00 0.00 C ATOM 0 H PHE A 54 6.945 3.825 1.181 1.00 0.00 H new ATOM 0 HA PHE A 54 7.821 2.375 3.550 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.575 2.331 0.621 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.515 1.514 1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.296 1.566 0.075 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.703 -0.486 2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.817 -0.381 -0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.220 -2.431 2.772 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.277 -2.376 1.273 1.00 0.00 H new ATOM 834 N LYS A 55 10.125 3.409 3.677 1.00 0.00 N ATOM 835 CA LYS A 55 11.300 4.186 4.040 1.00 0.00 C ATOM 836 C LYS A 55 12.439 3.897 3.054 1.00 0.00 C ATOM 837 O LYS A 55 13.340 4.708 2.867 1.00 0.00 O ATOM 838 CB LYS A 55 11.725 3.767 5.455 1.00 0.00 C ATOM 839 CG LYS A 55 12.864 4.571 6.083 1.00 0.00 C ATOM 840 CD LYS A 55 13.326 3.944 7.409 1.00 0.00 C ATOM 841 CE LYS A 55 12.206 3.869 8.453 1.00 0.00 C ATOM 842 NZ LYS A 55 12.641 3.151 9.680 1.00 0.00 N1+ ATOM 0 H LYS A 55 10.102 2.482 4.101 1.00 0.00 H new ATOM 0 HA LYS A 55 11.074 5.252 4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.856 3.836 6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.020 2.718 5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.703 4.619 5.389 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.535 5.596 6.258 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.706 2.940 7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.154 4.527 7.812 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.886 4.877 8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.342 3.363 8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.829 2.651 10.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.382 2.464 9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.016 3.835 10.368 1.00 0.00 H new ATOM 856 N ASP A 56 12.361 2.746 2.409 1.00 0.00 N ATOM 857 CA ASP A 56 13.421 2.285 1.528 1.00 0.00 C ATOM 858 C ASP A 56 12.851 1.782 0.214 1.00 0.00 C ATOM 859 O ASP A 56 11.740 1.237 0.179 1.00 0.00 O ATOM 860 CB ASP A 56 14.238 1.175 2.208 1.00 0.00 C ATOM 861 CG ASP A 56 15.285 0.584 1.302 1.00 0.00 C ATOM 862 OD1 ASP A 56 16.351 1.198 1.126 1.00 0.00 O1- ATOM 863 OD2 ASP A 56 15.036 -0.480 0.750 1.00 0.00 O ATOM 0 H ASP A 56 11.568 2.109 2.480 1.00 0.00 H new ATOM 0 HA ASP A 56 14.078 3.129 1.318 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.720 1.578 3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.564 0.386 2.540 1.00 0.00 H new ATOM 868 N GLU A 57 13.621 1.957 -0.843 1.00 0.00 N ATOM 869 CA GLU A 57 13.239 1.574 -2.189 1.00 0.00 C ATOM 870 C GLU A 57 13.124 0.055 -2.341 1.00 0.00 C ATOM 871 O GLU A 57 12.144 -0.439 -2.891 1.00 0.00 O ATOM 872 CB GLU A 57 14.230 2.197 -3.195 1.00 0.00 C ATOM 873 CG GLU A 57 14.073 1.768 -4.650 1.00 0.00 C ATOM 874 CD GLU A 57 15.163 0.813 -5.062 1.00 0.00 C ATOM 875 OE1 GLU A 57 16.263 1.271 -5.409 1.00 0.00 O1- ATOM 876 OE2 GLU A 57 14.981 -0.414 -4.984 1.00 0.00 O ATOM 0 H GLU A 57 14.549 2.378 -0.789 1.00 0.00 H new ATOM 0 HA GLU A 57 12.243 1.963 -2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.132 3.281 -3.145 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.243 1.953 -2.874 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.101 1.295 -4.789 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.094 2.647 -5.294 1.00 0.00 H new ATOM 883 N LYS A 58 14.062 -0.680 -1.771 1.00 0.00 N ATOM 884 CA LYS A 58 14.097 -2.123 -1.905 1.00 0.00 C ATOM 885 C LYS A 58 13.034 -2.739 -1.061 1.00 0.00 C ATOM 886 O LYS A 58 12.372 -3.694 -1.478 1.00 0.00 O ATOM 887 CB LYS A 58 15.450 -2.704 -1.510 1.00 0.00 C ATOM 888 CG LYS A 58 16.591 -2.385 -2.457 1.00 0.00 C ATOM 889 CD LYS A 58 17.095 -0.946 -2.314 1.00 0.00 C ATOM 890 CE LYS A 58 18.230 -0.652 -3.276 1.00 0.00 C ATOM 891 NZ LYS A 58 17.795 -0.701 -4.687 1.00 0.00 N1+ ATOM 0 H LYS A 58 14.818 -0.294 -1.205 1.00 0.00 H new ATOM 0 HA LYS A 58 13.925 -2.353 -2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.709 -2.336 -0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.354 -3.787 -1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 58 17.415 -3.074 -2.271 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.263 -2.550 -3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.274 -0.253 -2.497 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.432 -0.778 -1.291 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.641 0.334 -3.059 1.00 0.00 H new ATOM 0 HE3 LYS A 58 19.032 -1.374 -3.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.491 -1.233 -5.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.869 -1.171 -4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.718 0.267 -5.060 1.00 0.00 H new ATOM 905 N ALA A 59 12.862 -2.172 0.121 1.00 0.00 N ATOM 906 CA ALA A 59 11.826 -2.594 1.044 1.00 0.00 C ATOM 907 C ALA A 59 10.457 -2.446 0.388 1.00 0.00 C ATOM 908 O ALA A 59 9.541 -3.205 0.658 1.00 0.00 O ATOM 909 CB ALA A 59 11.900 -1.771 2.321 1.00 0.00 C ATOM 0 H ALA A 59 13.439 -1.405 0.467 1.00 0.00 H new ATOM 0 HA ALA A 59 11.978 -3.643 1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.118 -2.095 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.875 -1.911 2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.760 -0.717 2.083 1.00 0.00 H new ATOM 915 N MET A 60 10.343 -1.460 -0.484 1.00 0.00 N ATOM 916 CA MET A 60 9.130 -1.240 -1.229 1.00 0.00 C ATOM 917 C MET A 60 9.038 -2.240 -2.376 1.00 0.00 C ATOM 918 O MET A 60 8.029 -2.901 -2.531 1.00 0.00 O ATOM 919 CB MET A 60 9.089 0.177 -1.777 1.00 0.00 C ATOM 920 CG MET A 60 7.804 0.506 -2.511 1.00 0.00 C ATOM 921 SD MET A 60 7.814 2.145 -3.227 1.00 0.00 S ATOM 922 CE MET A 60 9.171 1.973 -4.378 1.00 0.00 C ATOM 0 H MET A 60 11.089 -0.795 -0.690 1.00 0.00 H new ATOM 0 HA MET A 60 8.281 -1.379 -0.559 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.218 0.880 -0.954 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.931 0.321 -2.454 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.643 -0.229 -3.300 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.965 0.421 -1.821 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.099 2.746 -5.143 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.116 2.077 -3.845 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.127 0.991 -4.849 1.00 0.00 H new ATOM 932 N ARG A 61 10.126 -2.344 -3.157 1.00 0.00 N ATOM 933 CA ARG A 61 10.219 -3.253 -4.318 1.00 0.00 C ATOM 934 C ARG A 61 9.759 -4.668 -3.983 1.00 0.00 C ATOM 935 O ARG A 61 8.806 -5.159 -4.581 1.00 0.00 O ATOM 936 CB ARG A 61 11.658 -3.307 -4.849 1.00 0.00 C ATOM 937 CG ARG A 61 12.173 -2.052 -5.568 1.00 0.00 C ATOM 938 CD ARG A 61 11.644 -1.918 -7.004 1.00 0.00 C ATOM 939 NE ARG A 61 10.236 -1.511 -7.124 1.00 0.00 N ATOM 940 CZ ARG A 61 9.258 -2.282 -7.598 1.00 0.00 C ATOM 941 NH1 ARG A 61 9.401 -3.586 -7.671 1.00 0.00 N1+ ATOM 942 NH2 ARG A 61 8.122 -1.732 -7.944 1.00 0.00 N ATOM 0 H ARG A 61 10.973 -1.797 -3.002 1.00 0.00 H new ATOM 0 HA ARG A 61 9.555 -2.850 -5.082 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.323 -3.516 -4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.736 -4.150 -5.536 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.884 -1.170 -4.997 1.00 0.00 H new ATOM 0 HG3 ARG A 61 13.263 -2.075 -5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.261 -1.192 -7.534 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.772 -2.875 -7.511 1.00 0.00 H new ATOM 0 HE ARG A 61 9.990 -0.568 -6.822 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.270 -4.022 -7.362 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.643 -4.163 -8.036 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.993 -0.725 -7.849 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.365 -2.311 -8.308 1.00 0.00 H new ATOM 956 N ASP A 62 10.408 -5.292 -2.991 1.00 0.00 N ATOM 957 CA ASP A 62 10.061 -6.689 -2.581 1.00 0.00 C ATOM 958 C ASP A 62 8.589 -6.803 -2.196 1.00 0.00 C ATOM 959 O ASP A 62 7.891 -7.748 -2.578 1.00 0.00 O ATOM 960 CB ASP A 62 10.918 -7.155 -1.399 1.00 0.00 C ATOM 961 CG ASP A 62 10.634 -8.602 -1.017 1.00 0.00 C ATOM 962 OD1 ASP A 62 11.200 -9.509 -1.664 1.00 0.00 O ATOM 963 OD2 ASP A 62 9.861 -8.825 -0.073 1.00 0.00 O1- ATOM 0 H ASP A 62 11.168 -4.872 -2.455 1.00 0.00 H new ATOM 0 HA ASP A 62 10.261 -7.326 -3.442 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.973 -7.048 -1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.730 -6.511 -0.540 1.00 0.00 H new ATOM 968 N ALA A 63 8.098 -5.772 -1.531 1.00 0.00 N ATOM 969 CA ALA A 63 6.743 -5.745 -1.034 1.00 0.00 C ATOM 970 C ALA A 63 5.741 -5.674 -2.173 1.00 0.00 C ATOM 971 O ALA A 63 4.604 -6.113 -2.043 1.00 0.00 O ATOM 972 CB ALA A 63 6.563 -4.564 -0.112 1.00 0.00 C ATOM 0 H ALA A 63 8.634 -4.929 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 63 6.561 -6.668 -0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.539 -4.547 0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.254 -4.649 0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.766 -3.642 -0.657 1.00 0.00 H new ATOM 978 N ILE A 64 6.169 -5.128 -3.279 1.00 0.00 N ATOM 979 CA ILE A 64 5.332 -4.987 -4.433 1.00 0.00 C ATOM 980 C ILE A 64 5.156 -6.322 -5.133 1.00 0.00 C ATOM 981 O ILE A 64 4.026 -6.806 -5.260 1.00 0.00 O ATOM 982 CB ILE A 64 5.870 -3.881 -5.382 1.00 0.00 C ATOM 983 CG1 ILE A 64 5.793 -2.538 -4.647 1.00 0.00 C ATOM 984 CG2 ILE A 64 5.078 -3.827 -6.695 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.463 -1.390 -5.346 1.00 0.00 C ATOM 0 H ILE A 64 7.115 -4.767 -3.403 1.00 0.00 H new ATOM 0 HA ILE A 64 4.343 -4.664 -4.109 1.00 0.00 H new ATOM 0 HB ILE A 64 6.903 -4.107 -5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.744 -2.286 -4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.242 -2.655 -3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.484 -3.041 -7.333 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.156 -4.786 -7.207 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.031 -3.615 -6.480 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.354 -0.486 -4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.522 -1.612 -5.478 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.000 -1.238 -6.321 1.00 0.00 H new ATOM 997 N GLU A 65 6.254 -6.954 -5.512 1.00 0.00 N ATOM 998 CA GLU A 65 6.193 -8.234 -6.171 1.00 0.00 C ATOM 999 C GLU A 65 5.644 -9.325 -5.242 1.00 0.00 C ATOM 1000 O GLU A 65 4.915 -10.213 -5.679 1.00 0.00 O ATOM 1001 CB GLU A 65 7.556 -8.654 -6.736 1.00 0.00 C ATOM 1002 CG GLU A 65 8.021 -7.924 -8.007 1.00 0.00 C ATOM 1003 CD GLU A 65 8.452 -6.489 -7.793 1.00 0.00 C ATOM 1004 OE1 GLU A 65 9.627 -6.264 -7.450 1.00 0.00 O1- ATOM 1005 OE2 GLU A 65 7.636 -5.554 -7.998 1.00 0.00 O ATOM 0 H GLU A 65 7.198 -6.595 -5.371 1.00 0.00 H new ATOM 0 HA GLU A 65 5.503 -8.118 -7.007 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.308 -8.505 -5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.524 -9.723 -6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.853 -8.477 -8.443 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.210 -7.940 -8.736 1.00 0.00 H new ATOM 1012 N GLY A 66 5.973 -9.233 -3.963 1.00 0.00 N ATOM 1013 CA GLY A 66 5.533 -10.221 -3.000 1.00 0.00 C ATOM 1014 C GLY A 66 4.060 -10.112 -2.622 1.00 0.00 C ATOM 1015 O GLY A 66 3.460 -11.087 -2.195 1.00 0.00 O ATOM 0 H GLY A 66 6.543 -8.483 -3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.720 -11.215 -3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.136 -10.126 -2.097 1.00 0.00 H new ATOM 1019 N MET A 67 3.479 -8.938 -2.764 1.00 0.00 N ATOM 1020 CA MET A 67 2.072 -8.743 -2.389 1.00 0.00 C ATOM 1021 C MET A 67 1.135 -8.759 -3.566 1.00 0.00 C ATOM 1022 O MET A 67 -0.043 -9.084 -3.413 1.00 0.00 O ATOM 1023 CB MET A 67 1.881 -7.449 -1.602 1.00 0.00 C ATOM 1024 CG MET A 67 2.102 -7.570 -0.114 1.00 0.00 C ATOM 1025 SD MET A 67 0.725 -8.413 0.676 1.00 0.00 S ATOM 1026 CE MET A 67 1.235 -8.395 2.378 1.00 0.00 C ATOM 0 H MET A 67 3.943 -8.107 -3.131 1.00 0.00 H new ATOM 0 HA MET A 67 1.818 -9.595 -1.758 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.565 -6.697 -1.996 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.870 -7.082 -1.775 1.00 0.00 H new ATOM 0 HG2 MET A 67 3.025 -8.117 0.077 1.00 0.00 H new ATOM 0 HG3 MET A 67 2.223 -6.578 0.321 1.00 0.00 H new ATOM 0 HE1 MET A 67 0.478 -8.885 2.990 1.00 0.00 H new ATOM 0 HE2 MET A 67 2.182 -8.925 2.480 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.359 -7.364 2.710 1.00 0.00 H new ATOM 1036 N ASN A 68 1.633 -8.426 -4.728 1.00 0.00 N ATOM 1037 CA ASN A 68 0.788 -8.339 -5.908 1.00 0.00 C ATOM 1038 C ASN A 68 0.256 -9.713 -6.292 1.00 0.00 C ATOM 1039 O ASN A 68 1.020 -10.607 -6.636 1.00 0.00 O ATOM 1040 CB ASN A 68 1.569 -7.750 -7.082 1.00 0.00 C ATOM 1041 CG ASN A 68 0.696 -7.459 -8.284 1.00 0.00 C ATOM 1042 OD1 ASN A 68 -0.476 -7.106 -8.150 1.00 0.00 O ATOM 1043 ND2 ASN A 68 1.248 -7.607 -9.460 1.00 0.00 N ATOM 0 H ASN A 68 2.616 -8.209 -4.891 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.052 -7.686 -5.672 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.056 -6.829 -6.762 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.358 -8.444 -7.372 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.705 -7.428 -10.305 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.222 -7.901 -9.533 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.046 -9.874 -6.219 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.650 -11.118 -6.597 1.00 0.00 C ATOM 1052 C GLY A 69 -2.232 -11.885 -5.427 1.00 0.00 C ATOM 1053 O GLY A 69 -3.188 -12.655 -5.603 1.00 0.00 O ATOM 0 H GLY A 69 -1.700 -9.158 -5.902 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.439 -10.924 -7.323 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.905 -11.739 -7.094 1.00 0.00 H new ATOM 1057 N GLN A 70 -1.707 -11.678 -4.230 1.00 0.00 N ATOM 1058 CA GLN A 70 -2.196 -12.443 -3.092 1.00 0.00 C ATOM 1059 C GLN A 70 -3.385 -11.757 -2.432 1.00 0.00 C ATOM 1060 O GLN A 70 -3.827 -10.710 -2.894 1.00 0.00 O ATOM 1061 CB GLN A 70 -1.094 -12.780 -2.078 1.00 0.00 C ATOM 1062 CG GLN A 70 -0.551 -11.637 -1.257 1.00 0.00 C ATOM 1063 CD GLN A 70 0.498 -12.129 -0.285 1.00 0.00 C ATOM 1064 OE1 GLN A 70 0.472 -13.274 0.153 1.00 0.00 O ATOM 1065 NE2 GLN A 70 1.376 -11.275 0.098 1.00 0.00 N ATOM 0 H GLN A 70 -0.966 -11.009 -4.023 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.541 -13.399 -3.487 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.481 -13.535 -1.394 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.263 -13.235 -2.618 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.119 -10.883 -1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.363 -11.157 -0.711 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.370 -10.330 -0.286 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.080 -11.541 0.787 1.00 0.00 H new ATOM 1074 N ASP A 71 -3.892 -12.345 -1.376 1.00 0.00 N ATOM 1075 CA ASP A 71 -5.094 -11.848 -0.720 1.00 0.00 C ATOM 1076 C ASP A 71 -4.742 -10.945 0.437 1.00 0.00 C ATOM 1077 O ASP A 71 -3.741 -11.169 1.131 1.00 0.00 O ATOM 1078 CB ASP A 71 -5.939 -13.019 -0.195 1.00 0.00 C ATOM 1079 CG ASP A 71 -7.267 -12.573 0.408 1.00 0.00 C ATOM 1080 OD1 ASP A 71 -7.304 -12.141 1.592 1.00 0.00 O1- ATOM 1081 OD2 ASP A 71 -8.268 -12.635 -0.297 1.00 0.00 O ATOM 0 H ASP A 71 -3.492 -13.177 -0.943 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.664 -11.282 -1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.133 -13.715 -1.011 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.369 -13.562 0.558 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.519 -9.916 0.605 1.00 0.00 N ATOM 1087 CA LEU A 72 -5.418 -9.052 1.738 1.00 0.00 C ATOM 1088 C LEU A 72 -6.837 -8.608 2.071 1.00 0.00 C ATOM 1089 O LEU A 72 -7.477 -7.889 1.284 1.00 0.00 O ATOM 1090 CB LEU A 72 -4.471 -7.858 1.436 1.00 0.00 C ATOM 1091 CG LEU A 72 -3.941 -7.011 2.629 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -2.835 -6.087 2.156 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -5.037 -6.177 3.266 1.00 0.00 C ATOM 0 H LEU A 72 -6.252 -9.651 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.980 -9.560 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.608 -8.248 0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.993 -7.184 0.757 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.562 -7.708 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.469 -5.497 2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.017 -6.679 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.223 -5.420 1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.622 -5.602 4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.454 -5.496 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.824 -6.833 3.638 1.00 0.00 H new ATOM 1105 N ASP A 73 -7.337 -9.126 3.185 1.00 0.00 N ATOM 1106 CA ASP A 73 -8.680 -8.835 3.733 1.00 0.00 C ATOM 1107 C ASP A 73 -9.811 -9.373 2.853 1.00 0.00 C ATOM 1108 O ASP A 73 -10.937 -8.852 2.886 1.00 0.00 O ATOM 1109 CB ASP A 73 -8.910 -7.328 4.029 1.00 0.00 C ATOM 1110 CG ASP A 73 -8.063 -6.759 5.164 1.00 0.00 C ATOM 1111 OD1 ASP A 73 -7.760 -7.484 6.122 1.00 0.00 O1- ATOM 1112 OD2 ASP A 73 -7.688 -5.553 5.090 1.00 0.00 O ATOM 0 H ASP A 73 -6.811 -9.784 3.760 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.706 -9.367 4.684 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.705 -6.759 3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.962 -7.176 4.269 1.00 0.00 H new ATOM 1117 N GLY A 74 -9.547 -10.439 2.111 1.00 0.00 N ATOM 1118 CA GLY A 74 -10.599 -11.053 1.327 1.00 0.00 C ATOM 1119 C GLY A 74 -10.621 -10.631 -0.127 1.00 0.00 C ATOM 1120 O GLY A 74 -11.618 -10.859 -0.830 1.00 0.00 O ATOM 0 H GLY A 74 -8.633 -10.886 2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.488 -12.136 1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.561 -10.810 1.778 1.00 0.00 H new ATOM 1124 N ARG A 75 -9.590 -9.957 -0.573 1.00 0.00 N ATOM 1125 CA ARG A 75 -9.471 -9.660 -1.964 1.00 0.00 C ATOM 1126 C ARG A 75 -8.044 -9.820 -2.426 1.00 0.00 C ATOM 1127 O ARG A 75 -7.114 -9.449 -1.702 1.00 0.00 O ATOM 1128 CB ARG A 75 -9.923 -8.270 -2.294 1.00 0.00 C ATOM 1129 CG ARG A 75 -10.220 -8.161 -3.770 1.00 0.00 C ATOM 1130 CD ARG A 75 -10.480 -6.774 -4.158 1.00 0.00 C ATOM 1131 NE ARG A 75 -10.863 -6.639 -5.589 1.00 0.00 N ATOM 1132 CZ ARG A 75 -10.003 -6.481 -6.634 1.00 0.00 C ATOM 1133 NH1 ARG A 75 -8.689 -6.616 -6.462 1.00 0.00 N1+ ATOM 1134 NH2 ARG A 75 -10.482 -6.226 -7.859 1.00 0.00 N ATOM 0 H ARG A 75 -8.829 -9.609 0.010 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.119 -10.368 -2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.813 -8.021 -1.716 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.151 -7.552 -2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.378 -8.549 -4.342 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.084 -8.778 -4.016 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.277 -6.370 -3.533 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.590 -6.175 -3.967 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.859 -6.667 -5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.316 -6.840 -5.540 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.056 -6.495 -7.253 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.488 -6.151 -8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.840 -6.107 -8.643 1.00 0.00 H new ATOM 1148 N ASN A 76 -7.863 -10.391 -3.608 1.00 0.00 N ATOM 1149 CA ASN A 76 -6.553 -10.417 -4.260 1.00 0.00 C ATOM 1150 C ASN A 76 -6.180 -9.004 -4.590 1.00 0.00 C ATOM 1151 O ASN A 76 -6.890 -8.316 -5.330 1.00 0.00 O ATOM 1152 CB ASN A 76 -6.570 -11.250 -5.548 1.00 0.00 C ATOM 1153 CG ASN A 76 -6.886 -12.707 -5.319 1.00 0.00 C ATOM 1154 OD1 ASN A 76 -8.042 -13.103 -5.321 1.00 0.00 O ATOM 1155 ND2 ASN A 76 -5.872 -13.520 -5.161 1.00 0.00 N ATOM 0 H ASN A 76 -8.606 -10.845 -4.140 1.00 0.00 H new ATOM 0 HA ASN A 76 -5.831 -10.876 -3.585 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.307 -10.830 -6.233 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.599 -11.170 -6.036 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.034 -14.519 -5.034 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.920 -13.154 -5.165 1.00 0.00 H new ATOM 1162 N ILE A 77 -5.112 -8.569 -4.037 1.00 0.00 N ATOM 1163 CA ILE A 77 -4.690 -7.210 -4.157 1.00 0.00 C ATOM 1164 C ILE A 77 -3.738 -6.995 -5.317 1.00 0.00 C ATOM 1165 O ILE A 77 -2.957 -7.882 -5.679 1.00 0.00 O ATOM 1166 CB ILE A 77 -4.047 -6.719 -2.853 1.00 0.00 C ATOM 1167 CG1 ILE A 77 -2.925 -7.687 -2.412 1.00 0.00 C ATOM 1168 CG2 ILE A 77 -5.121 -6.617 -1.781 1.00 0.00 C ATOM 1169 CD1 ILE A 77 -2.018 -7.152 -1.338 1.00 0.00 C ATOM 0 H ILE A 77 -4.489 -9.151 -3.476 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.587 -6.625 -4.358 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.601 -5.737 -3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.380 -8.611 -2.056 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.322 -7.943 -3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.674 -6.269 -0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.889 -5.912 -2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.571 -7.597 -1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.263 -7.899 -1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.529 -6.245 -1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.604 -6.923 -0.448 1.00 0.00 H new ATOM 1181 N THR A 78 -3.825 -5.835 -5.906 1.00 0.00 N ATOM 1182 CA THR A 78 -2.974 -5.457 -6.985 1.00 0.00 C ATOM 1183 C THR A 78 -2.006 -4.380 -6.480 1.00 0.00 C ATOM 1184 O THR A 78 -2.412 -3.274 -6.100 1.00 0.00 O ATOM 1185 CB THR A 78 -3.833 -4.922 -8.146 1.00 0.00 C ATOM 1186 OG1 THR A 78 -4.843 -5.906 -8.457 1.00 0.00 O ATOM 1187 CG2 THR A 78 -2.982 -4.652 -9.384 1.00 0.00 C ATOM 0 H THR A 78 -4.501 -5.119 -5.641 1.00 0.00 H new ATOM 0 HA THR A 78 -2.403 -6.312 -7.347 1.00 0.00 H new ATOM 0 HB THR A 78 -4.292 -3.981 -7.845 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.401 -5.580 -9.194 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.616 -4.275 -10.186 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.219 -3.911 -9.146 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.502 -5.577 -9.704 1.00 0.00 H new ATOM 1195 N VAL A 79 -0.752 -4.703 -6.462 1.00 0.00 N ATOM 1196 CA VAL A 79 0.248 -3.816 -5.928 1.00 0.00 C ATOM 1197 C VAL A 79 1.186 -3.415 -7.039 1.00 0.00 C ATOM 1198 O VAL A 79 1.619 -4.260 -7.816 1.00 0.00 O ATOM 1199 CB VAL A 79 1.043 -4.497 -4.775 1.00 0.00 C ATOM 1200 CG1 VAL A 79 2.038 -3.542 -4.150 1.00 0.00 C ATOM 1201 CG2 VAL A 79 0.103 -5.034 -3.715 1.00 0.00 C ATOM 0 H VAL A 79 -0.386 -5.587 -6.815 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.242 -2.934 -5.517 1.00 0.00 H new ATOM 0 HB VAL A 79 1.596 -5.330 -5.209 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.576 -4.049 -3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.747 -3.208 -4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.509 -2.680 -3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.682 -5.505 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.484 -4.214 -3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.566 -5.770 -4.161 1.00 0.00 H new ATOM 1211 N ASN A 80 1.486 -2.140 -7.133 1.00 0.00 N ATOM 1212 CA ASN A 80 2.362 -1.667 -8.186 1.00 0.00 C ATOM 1213 C ASN A 80 3.158 -0.460 -7.738 1.00 0.00 C ATOM 1214 O ASN A 80 2.937 0.079 -6.635 1.00 0.00 O ATOM 1215 CB ASN A 80 1.629 -1.397 -9.534 1.00 0.00 C ATOM 1216 CG ASN A 80 0.708 -0.172 -9.575 1.00 0.00 C ATOM 1217 OD1 ASN A 80 0.055 0.157 -8.497 1.00 0.00 O flip ATOM 1218 ND2 ASN A 80 0.569 0.451 -10.605 1.00 0.00 N flip ATOM 0 H ASN A 80 1.142 -1.417 -6.502 1.00 0.00 H new ATOM 0 HA ASN A 80 3.057 -2.483 -8.385 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.381 -1.286 -10.315 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.038 -2.278 -9.784 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.089 0.179 -11.440 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.068 1.247 -10.637 1.00 0.00 H new ATOM 1225 N GLU A 81 4.076 -0.060 -8.580 1.00 0.00 N ATOM 1226 CA GLU A 81 4.984 0.996 -8.333 1.00 0.00 C ATOM 1227 C GLU A 81 4.276 2.319 -8.483 1.00 0.00 C ATOM 1228 O GLU A 81 3.510 2.518 -9.422 1.00 0.00 O ATOM 1229 CB GLU A 81 6.135 0.877 -9.343 1.00 0.00 C ATOM 1230 CG GLU A 81 7.248 1.872 -9.145 1.00 0.00 C ATOM 1231 CD GLU A 81 7.776 1.793 -7.757 1.00 0.00 C ATOM 1232 OE1 GLU A 81 8.574 0.871 -7.472 1.00 0.00 O1- ATOM 1233 OE2 GLU A 81 7.345 2.602 -6.931 1.00 0.00 O ATOM 0 H GLU A 81 4.205 -0.491 -9.495 1.00 0.00 H new ATOM 0 HA GLU A 81 5.378 0.938 -7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.550 -0.129 -9.284 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.732 0.997 -10.349 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.050 1.676 -9.857 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.883 2.879 -9.345 1.00 0.00 H new ATOM 1240 N ALA A 82 4.518 3.194 -7.564 1.00 0.00 N ATOM 1241 CA ALA A 82 3.928 4.495 -7.606 1.00 0.00 C ATOM 1242 C ALA A 82 5.009 5.541 -7.606 1.00 0.00 C ATOM 1243 O ALA A 82 4.772 6.682 -8.046 1.00 0.00 O ATOM 1244 CB ALA A 82 2.984 4.699 -6.437 1.00 0.00 C ATOM 0 H ALA A 82 5.129 3.030 -6.764 1.00 0.00 H new ATOM 0 HA ALA A 82 3.345 4.587 -8.522 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.548 5.696 -6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.190 3.953 -6.476 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.535 4.594 -5.502 1.00 0.00 H new ATOM 1250 N GLN A 83 6.218 5.120 -7.178 1.00 0.00 N ATOM 1251 CA GLN A 83 7.398 5.997 -7.014 1.00 0.00 C ATOM 1252 C GLN A 83 7.148 7.123 -5.938 1.00 0.00 C ATOM 1253 O GLN A 83 6.014 7.374 -5.537 1.00 0.00 O ATOM 1254 CB GLN A 83 7.820 6.563 -8.397 1.00 0.00 C ATOM 1255 CG GLN A 83 9.072 7.430 -8.425 1.00 0.00 C ATOM 1256 CD GLN A 83 9.374 7.939 -9.822 1.00 0.00 C ATOM 1257 OE1 GLN A 83 8.896 8.998 -10.231 1.00 0.00 O ATOM 1258 NE2 GLN A 83 10.156 7.201 -10.564 1.00 0.00 N ATOM 0 H GLN A 83 6.405 4.148 -6.933 1.00 0.00 H new ATOM 0 HA GLN A 83 8.229 5.408 -6.626 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.971 5.724 -9.077 1.00 0.00 H new ATOM 0 HB3 GLN A 83 6.991 7.149 -8.793 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.943 8.276 -7.750 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.921 6.854 -8.056 1.00 0.00 H new ATOM 0 HE21 GLN A 83 10.535 6.329 -10.195 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.387 7.497 -11.512 1.00 0.00 H new ATOM 1267 N SER A 84 8.223 7.744 -5.450 1.00 0.00 N ATOM 1268 CA SER A 84 8.163 8.824 -4.459 1.00 0.00 C ATOM 1269 C SER A 84 7.245 9.971 -4.917 1.00 0.00 C ATOM 1270 O SER A 84 7.423 10.528 -6.020 1.00 0.00 O ATOM 1271 CB SER A 84 9.570 9.353 -4.257 1.00 0.00 C ATOM 1272 OG SER A 84 10.447 8.281 -3.980 1.00 0.00 O ATOM 0 H SER A 84 9.174 7.509 -5.735 1.00 0.00 H new ATOM 0 HA SER A 84 7.752 8.428 -3.530 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.901 9.884 -5.149 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.585 10.069 -3.436 1.00 0.00 H new ATOM 0 HG SER A 84 10.286 7.954 -3.070 1.00 0.00 H new ATOM 1278 N ARG A 85 6.273 10.319 -4.086 1.00 0.00 N ATOM 1279 CA ARG A 85 5.311 11.367 -4.404 1.00 0.00 C ATOM 1280 C ARG A 85 5.168 12.352 -3.247 1.00 0.00 C ATOM 1281 O ARG A 85 4.901 13.536 -3.475 1.00 0.00 O ATOM 1282 CB ARG A 85 3.932 10.766 -4.764 1.00 0.00 C ATOM 1283 CG ARG A 85 3.959 9.810 -5.950 1.00 0.00 C ATOM 1284 CD ARG A 85 4.507 10.489 -7.194 1.00 0.00 C ATOM 1285 NE ARG A 85 4.726 9.544 -8.286 1.00 0.00 N ATOM 1286 CZ ARG A 85 5.786 9.554 -9.107 1.00 0.00 C ATOM 1287 NH1 ARG A 85 6.835 10.336 -8.846 1.00 0.00 N1+ ATOM 1288 NH2 ARG A 85 5.842 8.710 -10.131 1.00 0.00 N ATOM 0 H ARG A 85 6.128 9.885 -3.174 1.00 0.00 H new ATOM 0 HA ARG A 85 5.691 11.906 -5.272 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.540 10.238 -3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.239 11.579 -4.982 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.572 8.942 -5.707 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.952 9.443 -6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.812 11.263 -7.519 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.447 10.985 -6.951 1.00 0.00 H new ATOM 0 HE ARG A 85 4.020 8.823 -8.435 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.834 10.931 -8.018 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.638 10.339 -9.475 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.078 8.054 -10.293 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.649 8.718 -10.755 1.00 0.00 H new TER 1302 ARG A 85