USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 674 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 70 THR OG1 : rot 78:sc= 0.0119 USER MOD Set 1.2: A 73 GLN :FLIP amide:sc= -0.366 F(o=-1.7!,f=-0.35) USER MOD Set 2.1: A 28 HIS : no HD1:sc= -0.249 K(o=-0.13,f=-8.7!) USER MOD Set 2.2: A 71 THR OG1 : rot 124:sc= 0.117 USER MOD Single : A 4 THR OG1 : rot 24:sc= 0.112 USER MOD Single : A 10 THR OG1 : rot 92:sc= 0.774 USER MOD Single : A 15 THR OG1 : rot 73:sc= 1.1 USER MOD Single : A 16 CYS SG : rot -140:sc= -2.37! USER MOD Single : A 22 THR OG1 : rot -26:sc= 0.747 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.678 USER MOD Single : A 27 SER OG : rot 93:sc= 0.455 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 80:sc= 0.801 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.0626 X(o=-0.063,f=-0.46) USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= -0.0487 (180deg=-0.318) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 172:sc= 0.48 (180deg=0.453) USER MOD Single : A 79 ASN : amide:sc= -0.0099 K(o=-0.0099,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 -9.028 2.134 -2.196 1.00 0.00 N ATOM 46 CA THR A 4 -7.661 2.233 -1.672 1.00 0.00 C ATOM 47 C THR A 4 -7.120 3.649 -1.923 1.00 0.00 C ATOM 48 O THR A 4 -6.453 4.209 -1.065 1.00 0.00 O ATOM 49 CB THR A 4 -6.721 1.151 -2.301 1.00 0.00 C ATOM 50 OG1 THR A 4 -7.305 -0.154 -2.120 1.00 0.00 O ATOM 51 CG2 THR A 4 -5.310 1.168 -1.687 1.00 0.00 C ATOM 0 HA THR A 4 -7.685 2.044 -0.599 1.00 0.00 H new ATOM 0 HB THR A 4 -6.619 1.384 -3.361 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.275 -0.066 -2.009 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.699 0.399 -2.159 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.854 2.144 -1.850 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.377 0.973 -0.617 1.00 0.00 H new ATOM 59 N PHE A 5 -7.459 4.240 -3.091 1.00 0.00 N ATOM 60 CA PHE A 5 -7.077 5.628 -3.416 1.00 0.00 C ATOM 61 C PHE A 5 -7.798 6.619 -2.478 1.00 0.00 C ATOM 62 O PHE A 5 -7.186 7.580 -2.018 1.00 0.00 O ATOM 63 CB PHE A 5 -7.371 5.981 -4.898 1.00 0.00 C ATOM 64 CG PHE A 5 -7.001 7.428 -5.253 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.664 7.810 -5.372 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.984 8.414 -5.413 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.323 9.122 -5.639 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.638 9.727 -5.692 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.308 10.080 -5.799 1.00 0.00 C ATOM 0 H PHE A 5 -7.996 3.775 -3.823 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.001 5.711 -3.266 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.817 5.301 -5.545 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.430 5.822 -5.101 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.886 7.070 -5.254 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -9.026 8.147 -5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.283 9.401 -5.723 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.408 10.473 -5.825 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.036 11.104 -6.008 1.00 0.00 H new ATOM 79 N ASP A 6 -9.097 6.365 -2.214 1.00 0.00 N ATOM 80 CA ASP A 6 -9.919 7.199 -1.294 1.00 0.00 C ATOM 81 C ASP A 6 -9.270 7.225 0.105 1.00 0.00 C ATOM 82 O ASP A 6 -9.158 8.281 0.729 1.00 0.00 O ATOM 83 CB ASP A 6 -11.423 6.702 -1.274 1.00 0.00 C ATOM 84 CG ASP A 6 -11.985 6.312 0.111 1.00 0.00 C ATOM 85 OD1 ASP A 6 -11.736 5.183 0.563 1.00 0.00 O ATOM 86 OD2 ASP A 6 -12.670 7.131 0.753 1.00 0.00 O ATOM 0 H ASP A 6 -9.608 5.584 -2.626 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.947 8.227 -1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.051 7.489 -1.691 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.510 5.840 -1.936 1.00 0.00 H new ATOM 91 N ARG A 7 -8.820 6.041 0.548 1.00 0.00 N ATOM 92 CA ARG A 7 -8.089 5.858 1.810 1.00 0.00 C ATOM 93 C ARG A 7 -6.785 6.684 1.816 1.00 0.00 C ATOM 94 O ARG A 7 -6.641 7.579 2.633 1.00 0.00 O ATOM 95 CB ARG A 7 -7.801 4.335 2.047 1.00 0.00 C ATOM 96 CG ARG A 7 -8.640 3.675 3.157 1.00 0.00 C ATOM 97 CD ARG A 7 -8.340 4.274 4.539 1.00 0.00 C ATOM 98 NE ARG A 7 -8.950 3.492 5.629 1.00 0.00 N ATOM 99 CZ ARG A 7 -8.681 3.649 6.934 1.00 0.00 C ATOM 100 NH1 ARG A 7 -7.903 4.642 7.355 1.00 0.00 N ATOM 101 NH2 ARG A 7 -9.210 2.817 7.813 1.00 0.00 N ATOM 0 H ARG A 7 -8.956 5.172 0.032 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.708 6.221 2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.976 3.799 1.114 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.746 4.215 2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.699 3.797 2.931 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.439 2.604 3.175 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.261 4.320 4.687 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.711 5.298 4.577 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.629 2.776 5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.502 5.296 6.683 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.707 4.749 8.350 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.818 2.061 7.498 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.010 2.930 8.807 1.00 0.00 H new ATOM 115 N VAL A 8 -5.886 6.396 0.856 1.00 0.00 N ATOM 116 CA VAL A 8 -4.527 6.988 0.778 1.00 0.00 C ATOM 117 C VAL A 8 -4.581 8.528 0.661 1.00 0.00 C ATOM 118 O VAL A 8 -3.828 9.227 1.338 1.00 0.00 O ATOM 119 CB VAL A 8 -3.708 6.362 -0.420 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.320 7.036 -0.609 1.00 0.00 C ATOM 121 CG2 VAL A 8 -3.551 4.834 -0.214 1.00 0.00 C ATOM 0 H VAL A 8 -6.081 5.738 0.101 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.012 6.748 1.708 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.273 6.548 -1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.799 6.568 -1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.456 8.098 -0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.730 6.915 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.985 4.411 -1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.021 4.645 0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.536 4.369 -0.172 1.00 0.00 H new ATOM 131 N ALA A 9 -5.509 9.027 -0.174 1.00 0.00 N ATOM 132 CA ALA A 9 -5.741 10.473 -0.388 1.00 0.00 C ATOM 133 C ALA A 9 -6.101 11.179 0.931 1.00 0.00 C ATOM 134 O ALA A 9 -5.541 12.231 1.259 1.00 0.00 O ATOM 135 CB ALA A 9 -6.852 10.687 -1.440 1.00 0.00 C ATOM 0 H ALA A 9 -6.128 8.434 -0.727 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.816 10.914 -0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.012 11.755 -1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.552 10.231 -2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.776 10.226 -1.092 1.00 0.00 H new ATOM 141 N THR A 10 -7.033 10.568 1.681 1.00 0.00 N ATOM 142 CA THR A 10 -7.436 11.056 3.008 1.00 0.00 C ATOM 143 C THR A 10 -6.252 11.010 4.002 1.00 0.00 C ATOM 144 O THR A 10 -5.985 11.988 4.683 1.00 0.00 O ATOM 145 CB THR A 10 -8.644 10.233 3.566 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.715 10.236 2.606 1.00 0.00 O ATOM 147 CG2 THR A 10 -9.165 10.787 4.909 1.00 0.00 C ATOM 0 H THR A 10 -7.526 9.725 1.385 1.00 0.00 H new ATOM 0 HA THR A 10 -7.749 12.094 2.895 1.00 0.00 H new ATOM 0 HB THR A 10 -8.289 9.218 3.742 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.631 9.455 2.020 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.003 10.180 5.252 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.366 10.755 5.650 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.494 11.817 4.774 1.00 0.00 H new ATOM 155 N ILE A 11 -5.534 9.871 4.044 1.00 0.00 N ATOM 156 CA ILE A 11 -4.409 9.638 4.974 1.00 0.00 C ATOM 157 C ILE A 11 -3.295 10.695 4.824 1.00 0.00 C ATOM 158 O ILE A 11 -2.878 11.295 5.821 1.00 0.00 O ATOM 159 CB ILE A 11 -3.821 8.184 4.780 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.877 7.105 5.186 1.00 0.00 C ATOM 161 CG2 ILE A 11 -2.504 7.978 5.563 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.481 5.670 4.873 1.00 0.00 C ATOM 0 H ILE A 11 -5.719 9.079 3.428 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.805 9.730 5.985 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.588 8.069 3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.067 7.189 6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.815 7.327 4.677 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.138 6.964 5.399 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.759 8.694 5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.686 8.130 6.627 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.276 4.996 5.191 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.321 5.562 3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.562 5.422 5.403 1.00 0.00 H new ATOM 174 N ILE A 12 -2.843 10.945 3.580 1.00 0.00 N ATOM 175 CA ILE A 12 -1.761 11.920 3.302 1.00 0.00 C ATOM 176 C ILE A 12 -2.221 13.341 3.688 1.00 0.00 C ATOM 177 O ILE A 12 -1.444 14.127 4.266 1.00 0.00 O ATOM 178 CB ILE A 12 -1.315 11.875 1.783 1.00 0.00 C ATOM 179 CG1 ILE A 12 -0.818 10.441 1.407 1.00 0.00 C ATOM 180 CG2 ILE A 12 -0.227 12.940 1.469 1.00 0.00 C ATOM 181 CD1 ILE A 12 -0.374 10.274 -0.036 1.00 0.00 C ATOM 0 H ILE A 12 -3.209 10.485 2.746 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.896 11.647 3.906 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.185 12.116 1.172 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.014 10.178 2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.619 9.730 1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.052 12.876 0.417 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.620 13.935 1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.651 12.757 2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.047 9.247 -0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.207 10.500 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.451 10.955 -0.244 1.00 0.00 H new ATOM 193 N ALA A 13 -3.507 13.630 3.389 1.00 0.00 N ATOM 194 CA ALA A 13 -4.173 14.887 3.763 1.00 0.00 C ATOM 195 C ALA A 13 -4.113 15.150 5.280 1.00 0.00 C ATOM 196 O ALA A 13 -3.739 16.239 5.704 1.00 0.00 O ATOM 197 CB ALA A 13 -5.635 14.883 3.283 1.00 0.00 C ATOM 0 H ALA A 13 -4.113 12.989 2.877 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.633 15.696 3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.114 15.820 3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.662 14.777 2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.167 14.050 3.743 1.00 0.00 H new ATOM 203 N GLU A 14 -4.471 14.133 6.086 1.00 0.00 N ATOM 204 CA GLU A 14 -4.510 14.256 7.553 1.00 0.00 C ATOM 205 C GLU A 14 -3.091 14.340 8.156 1.00 0.00 C ATOM 206 O GLU A 14 -2.880 15.037 9.152 1.00 0.00 O ATOM 207 CB GLU A 14 -5.287 13.074 8.199 1.00 0.00 C ATOM 208 CG GLU A 14 -6.698 12.803 7.616 1.00 0.00 C ATOM 209 CD GLU A 14 -7.590 14.051 7.465 1.00 0.00 C ATOM 210 OE1 GLU A 14 -8.109 14.551 8.489 1.00 0.00 O ATOM 211 OE2 GLU A 14 -7.778 14.528 6.323 1.00 0.00 O ATOM 0 H GLU A 14 -4.739 13.211 5.741 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.035 15.185 7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.689 12.169 8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.386 13.268 9.267 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.587 12.334 6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.209 12.085 8.258 1.00 0.00 H new ATOM 218 N THR A 15 -2.128 13.624 7.541 1.00 0.00 N ATOM 219 CA THR A 15 -0.755 13.506 8.067 1.00 0.00 C ATOM 220 C THR A 15 0.020 14.832 7.938 1.00 0.00 C ATOM 221 O THR A 15 0.509 15.366 8.938 1.00 0.00 O ATOM 222 CB THR A 15 0.036 12.350 7.358 1.00 0.00 C ATOM 223 OG1 THR A 15 -0.671 11.109 7.524 1.00 0.00 O ATOM 224 CG2 THR A 15 1.467 12.185 7.913 1.00 0.00 C ATOM 0 H THR A 15 -2.280 13.114 6.671 1.00 0.00 H new ATOM 0 HA THR A 15 -0.845 13.264 9.126 1.00 0.00 H new ATOM 0 HB THR A 15 0.114 12.616 6.304 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.466 11.106 6.951 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.969 11.373 7.388 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.023 13.111 7.766 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.420 11.955 8.977 1.00 0.00 H new ATOM 232 N CYS A 16 0.101 15.377 6.713 1.00 0.00 N ATOM 233 CA CYS A 16 0.955 16.546 6.405 1.00 0.00 C ATOM 234 C CYS A 16 0.125 17.816 6.142 1.00 0.00 C ATOM 235 O CYS A 16 0.670 18.820 5.664 1.00 0.00 O ATOM 236 CB CYS A 16 1.842 16.200 5.191 1.00 0.00 C ATOM 237 SG CYS A 16 2.820 14.709 5.423 1.00 0.00 S ATOM 0 H CYS A 16 -0.419 15.025 5.909 1.00 0.00 H new ATOM 0 HA CYS A 16 1.580 16.765 7.271 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.210 16.078 4.312 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.511 17.037 4.989 1.00 0.00 H new ATOM 0 HG CYS A 16 4.007 14.887 4.924 1.00 0.00 H new ATOM 243 N ASP A 17 -1.170 17.774 6.526 1.00 0.00 N ATOM 244 CA ASP A 17 -2.158 18.848 6.266 1.00 0.00 C ATOM 245 C ASP A 17 -2.144 19.277 4.777 1.00 0.00 C ATOM 246 O ASP A 17 -2.047 20.462 4.437 1.00 0.00 O ATOM 247 CB ASP A 17 -1.957 20.044 7.254 1.00 0.00 C ATOM 248 CG ASP A 17 -3.127 21.051 7.249 1.00 0.00 C ATOM 249 OD1 ASP A 17 -4.263 20.641 7.571 1.00 0.00 O ATOM 250 OD2 ASP A 17 -2.922 22.247 6.933 1.00 0.00 O ATOM 0 H ASP A 17 -1.565 16.982 7.033 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.156 18.455 6.457 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.829 19.653 8.263 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.037 20.568 6.996 1.00 0.00 H new ATOM 255 N ILE A 18 -2.218 18.264 3.896 1.00 0.00 N ATOM 256 CA ILE A 18 -2.269 18.460 2.433 1.00 0.00 C ATOM 257 C ILE A 18 -3.746 18.611 2.036 1.00 0.00 C ATOM 258 O ILE A 18 -4.544 17.786 2.477 1.00 0.00 O ATOM 259 CB ILE A 18 -1.626 17.239 1.646 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.192 16.910 2.176 1.00 0.00 C ATOM 261 CG2 ILE A 18 -1.605 17.500 0.117 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.829 18.030 2.043 1.00 0.00 C ATOM 0 H ILE A 18 -2.244 17.284 4.177 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.693 19.347 2.171 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.256 16.368 1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.267 16.634 3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.182 16.036 1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.159 16.646 -0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.624 17.644 -0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.017 18.394 -0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.788 17.697 2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.944 18.295 0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.488 18.902 2.602 1.00 0.00 H new ATOM 274 N PRO A 19 -4.155 19.656 1.233 1.00 0.00 N ATOM 275 CA PRO A 19 -5.558 19.787 0.768 1.00 0.00 C ATOM 276 C PRO A 19 -6.022 18.508 0.033 1.00 0.00 C ATOM 277 O PRO A 19 -5.501 18.175 -1.035 1.00 0.00 O ATOM 278 CB PRO A 19 -5.526 21.019 -0.167 1.00 0.00 C ATOM 279 CG PRO A 19 -4.335 21.805 0.292 1.00 0.00 C ATOM 280 CD PRO A 19 -3.315 20.774 0.735 1.00 0.00 C ATOM 0 HA PRO A 19 -6.268 19.914 1.585 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.428 20.723 -1.211 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.443 21.603 -0.086 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.941 22.426 -0.512 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.598 22.474 1.111 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.675 20.460 -0.090 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.661 21.164 1.515 1.00 0.00 H new ATOM 288 N ARG A 20 -6.960 17.772 0.663 1.00 0.00 N ATOM 289 CA ARG A 20 -7.507 16.493 0.153 1.00 0.00 C ATOM 290 C ARG A 20 -8.064 16.685 -1.282 1.00 0.00 C ATOM 291 O ARG A 20 -7.896 15.816 -2.145 1.00 0.00 O ATOM 292 CB ARG A 20 -8.603 15.978 1.153 1.00 0.00 C ATOM 293 CG ARG A 20 -8.767 14.432 1.283 1.00 0.00 C ATOM 294 CD ARG A 20 -9.319 13.741 0.025 1.00 0.00 C ATOM 295 NE ARG A 20 -9.679 12.328 0.267 1.00 0.00 N ATOM 296 CZ ARG A 20 -10.361 11.548 -0.585 1.00 0.00 C ATOM 297 NH1 ARG A 20 -10.717 11.982 -1.791 1.00 0.00 N ATOM 298 NH2 ARG A 20 -10.691 10.326 -0.219 1.00 0.00 N ATOM 0 H ARG A 20 -7.367 18.052 1.555 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.721 15.740 0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.377 16.380 2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.563 16.397 0.850 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.798 13.996 1.526 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.432 14.219 2.120 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.198 14.281 -0.326 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.575 13.792 -0.770 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.386 11.913 1.152 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.472 12.927 -2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.235 11.370 -2.421 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.428 9.982 0.704 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.210 9.724 -0.859 1.00 0.00 H new ATOM 312 N GLU A 21 -8.643 17.880 -1.528 1.00 0.00 N ATOM 313 CA GLU A 21 -9.255 18.268 -2.822 1.00 0.00 C ATOM 314 C GLU A 21 -8.211 18.334 -3.961 1.00 0.00 C ATOM 315 O GLU A 21 -8.505 17.975 -5.106 1.00 0.00 O ATOM 316 CB GLU A 21 -9.962 19.651 -2.672 1.00 0.00 C ATOM 317 CG GLU A 21 -9.045 20.772 -2.128 1.00 0.00 C ATOM 318 CD GLU A 21 -9.700 22.159 -2.143 1.00 0.00 C ATOM 319 OE1 GLU A 21 -10.471 22.476 -1.214 1.00 0.00 O ATOM 320 OE2 GLU A 21 -9.455 22.931 -3.094 1.00 0.00 O ATOM 0 H GLU A 21 -8.700 18.615 -0.823 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.983 17.502 -3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.353 19.955 -3.643 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.817 19.540 -2.005 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.753 20.528 -1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.132 20.804 -2.722 1.00 0.00 H new ATOM 327 N THR A 22 -6.982 18.775 -3.626 1.00 0.00 N ATOM 328 CA THR A 22 -5.905 18.965 -4.617 1.00 0.00 C ATOM 329 C THR A 22 -5.174 17.642 -4.918 1.00 0.00 C ATOM 330 O THR A 22 -4.393 17.566 -5.872 1.00 0.00 O ATOM 331 CB THR A 22 -4.873 20.057 -4.151 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.215 19.657 -2.937 1.00 0.00 O ATOM 333 CG2 THR A 22 -5.543 21.426 -3.923 1.00 0.00 C ATOM 0 H THR A 22 -6.710 19.007 -2.671 1.00 0.00 H new ATOM 0 HA THR A 22 -6.381 19.313 -5.534 1.00 0.00 H new ATOM 0 HB THR A 22 -4.143 20.154 -4.954 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.795 19.046 -2.437 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.793 22.149 -3.602 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.001 21.766 -4.852 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.309 21.332 -3.153 1.00 0.00 H new ATOM 341 N ILE A 23 -5.449 16.595 -4.112 1.00 0.00 N ATOM 342 CA ILE A 23 -4.812 15.280 -4.255 1.00 0.00 C ATOM 343 C ILE A 23 -5.485 14.514 -5.419 1.00 0.00 C ATOM 344 O ILE A 23 -6.632 14.057 -5.307 1.00 0.00 O ATOM 345 CB ILE A 23 -4.900 14.482 -2.893 1.00 0.00 C ATOM 346 CG1 ILE A 23 -4.067 15.217 -1.786 1.00 0.00 C ATOM 347 CG2 ILE A 23 -4.453 13.010 -3.048 1.00 0.00 C ATOM 348 CD1 ILE A 23 -4.085 14.557 -0.414 1.00 0.00 C ATOM 0 H ILE A 23 -6.120 16.643 -3.345 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.755 15.399 -4.491 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.946 14.456 -2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.033 15.291 -2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.444 16.235 -1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.531 12.503 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.093 12.510 -3.775 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.419 12.978 -3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.480 15.142 0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.110 14.507 -0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.677 13.549 -0.490 1.00 0.00 H new ATOM 360 N THR A 24 -4.769 14.458 -6.553 1.00 0.00 N ATOM 361 CA THR A 24 -5.228 13.817 -7.800 1.00 0.00 C ATOM 362 C THR A 24 -4.531 12.444 -7.989 1.00 0.00 C ATOM 363 O THR A 24 -3.483 12.201 -7.378 1.00 0.00 O ATOM 364 CB THR A 24 -4.933 14.764 -9.019 1.00 0.00 C ATOM 365 OG1 THR A 24 -3.536 15.095 -9.070 1.00 0.00 O ATOM 366 CG2 THR A 24 -5.763 16.060 -8.946 1.00 0.00 C ATOM 0 H THR A 24 -3.837 14.864 -6.633 1.00 0.00 H new ATOM 0 HA THR A 24 -6.303 13.645 -7.741 1.00 0.00 H new ATOM 0 HB THR A 24 -5.216 14.225 -9.924 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.367 15.684 -9.835 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.532 16.689 -9.806 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.825 15.813 -8.952 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.521 16.596 -8.028 1.00 0.00 H new ATOM 374 N PRO A 25 -5.100 11.509 -8.828 1.00 0.00 N ATOM 375 CA PRO A 25 -4.473 10.190 -9.098 1.00 0.00 C ATOM 376 C PRO A 25 -3.103 10.317 -9.795 1.00 0.00 C ATOM 377 O PRO A 25 -2.204 9.511 -9.549 1.00 0.00 O ATOM 378 CB PRO A 25 -5.515 9.456 -9.990 1.00 0.00 C ATOM 379 CG PRO A 25 -6.799 10.188 -9.745 1.00 0.00 C ATOM 380 CD PRO A 25 -6.397 11.628 -9.541 1.00 0.00 C ATOM 0 HA PRO A 25 -4.251 9.647 -8.179 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.232 9.492 -11.042 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.600 8.404 -9.718 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.479 10.084 -10.590 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.316 9.795 -8.870 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.291 12.157 -10.488 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.134 12.174 -8.952 1.00 0.00 H new ATOM 388 N GLU A 26 -2.936 11.386 -10.608 1.00 0.00 N ATOM 389 CA GLU A 26 -1.711 11.624 -11.408 1.00 0.00 C ATOM 390 C GLU A 26 -0.734 12.536 -10.634 1.00 0.00 C ATOM 391 O GLU A 26 0.302 12.949 -11.180 1.00 0.00 O ATOM 392 CB GLU A 26 -2.053 12.263 -12.796 1.00 0.00 C ATOM 393 CG GLU A 26 -2.835 11.360 -13.779 1.00 0.00 C ATOM 394 CD GLU A 26 -4.250 10.988 -13.312 1.00 0.00 C ATOM 395 OE1 GLU A 26 -5.013 11.900 -12.910 1.00 0.00 O ATOM 396 OE2 GLU A 26 -4.611 9.792 -13.343 1.00 0.00 O ATOM 0 H GLU A 26 -3.646 12.108 -10.728 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.236 10.659 -11.586 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.634 13.169 -12.624 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.122 12.567 -13.274 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.905 11.867 -14.741 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.267 10.444 -13.942 1.00 0.00 H new ATOM 403 N SER A 27 -1.066 12.828 -9.362 1.00 0.00 N ATOM 404 CA SER A 27 -0.205 13.614 -8.475 1.00 0.00 C ATOM 405 C SER A 27 0.947 12.722 -8.015 1.00 0.00 C ATOM 406 O SER A 27 0.730 11.575 -7.610 1.00 0.00 O ATOM 407 CB SER A 27 -1.002 14.156 -7.266 1.00 0.00 C ATOM 408 OG SER A 27 -0.170 14.834 -6.341 1.00 0.00 O ATOM 0 H SER A 27 -1.937 12.524 -8.927 1.00 0.00 H new ATOM 0 HA SER A 27 0.187 14.478 -9.011 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.779 14.834 -7.619 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.504 13.330 -6.763 1.00 0.00 H new ATOM 0 HG SER A 27 -0.163 15.792 -6.548 1.00 0.00 H new ATOM 414 N HIS A 28 2.168 13.218 -8.166 1.00 0.00 N ATOM 415 CA HIS A 28 3.363 12.530 -7.685 1.00 0.00 C ATOM 416 C HIS A 28 3.712 13.081 -6.292 1.00 0.00 C ATOM 417 O HIS A 28 3.823 14.296 -6.127 1.00 0.00 O ATOM 418 CB HIS A 28 4.515 12.750 -8.689 1.00 0.00 C ATOM 419 CG HIS A 28 5.705 11.862 -8.460 1.00 0.00 C ATOM 420 ND1 HIS A 28 6.658 12.161 -7.528 1.00 0.00 N ATOM 421 CD2 HIS A 28 6.051 10.715 -9.093 1.00 0.00 C ATOM 422 CE1 HIS A 28 7.552 11.199 -7.618 1.00 0.00 C ATOM 423 NE2 HIS A 28 7.228 10.303 -8.552 1.00 0.00 N ATOM 0 H HIS A 28 2.360 14.108 -8.625 1.00 0.00 H new ATOM 0 HA HIS A 28 3.192 11.457 -7.603 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.140 12.583 -9.699 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.836 13.790 -8.636 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.497 10.222 -9.878 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.442 11.142 -7.008 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.760 9.471 -8.810 1.00 0.00 H new ATOM 431 N ALA A 29 3.854 12.191 -5.289 1.00 0.00 N ATOM 432 CA ALA A 29 4.173 12.557 -3.902 1.00 0.00 C ATOM 433 C ALA A 29 5.404 13.470 -3.789 1.00 0.00 C ATOM 434 O ALA A 29 5.383 14.426 -3.023 1.00 0.00 O ATOM 435 CB ALA A 29 4.366 11.288 -3.058 1.00 0.00 C ATOM 0 H ALA A 29 3.748 11.186 -5.426 1.00 0.00 H new ATOM 0 HA ALA A 29 3.328 13.130 -3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.602 11.567 -2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.449 10.699 -3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.184 10.697 -3.471 1.00 0.00 H new ATOM 441 N ILE A 30 6.437 13.230 -4.609 1.00 0.00 N ATOM 442 CA ILE A 30 7.717 13.954 -4.490 1.00 0.00 C ATOM 443 C ILE A 30 7.681 15.211 -5.379 1.00 0.00 C ATOM 444 O ILE A 30 7.970 16.323 -4.920 1.00 0.00 O ATOM 445 CB ILE A 30 8.948 13.046 -4.887 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.899 11.673 -4.137 1.00 0.00 C ATOM 447 CG2 ILE A 30 10.289 13.764 -4.613 1.00 0.00 C ATOM 448 CD1 ILE A 30 10.074 10.744 -4.415 1.00 0.00 C ATOM 0 H ILE A 30 6.414 12.542 -5.362 1.00 0.00 H new ATOM 0 HA ILE A 30 7.846 14.240 -3.446 1.00 0.00 H new ATOM 0 HB ILE A 30 8.880 12.855 -5.958 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.852 11.863 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.977 11.160 -4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.115 13.112 -4.897 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.335 14.684 -5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.364 14.003 -3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.949 9.820 -3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.113 10.516 -5.480 1.00 0.00 H new ATOM 0 HD13 ILE A 30 11.002 11.231 -4.114 1.00 0.00 H new ATOM 460 N ASP A 31 7.286 15.015 -6.650 1.00 0.00 N ATOM 461 CA ASP A 31 7.337 16.060 -7.695 1.00 0.00 C ATOM 462 C ASP A 31 6.239 17.130 -7.484 1.00 0.00 C ATOM 463 O ASP A 31 6.518 18.333 -7.517 1.00 0.00 O ATOM 464 CB ASP A 31 7.202 15.399 -9.097 1.00 0.00 C ATOM 465 CG ASP A 31 7.317 16.398 -10.269 1.00 0.00 C ATOM 466 OD1 ASP A 31 8.449 16.666 -10.724 1.00 0.00 O ATOM 467 OD2 ASP A 31 6.278 16.919 -10.741 1.00 0.00 O ATOM 0 H ASP A 31 6.920 14.124 -6.985 1.00 0.00 H new ATOM 0 HA ASP A 31 8.298 16.569 -7.628 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.973 14.636 -9.205 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.240 14.891 -9.158 1.00 0.00 H new ATOM 472 N ASP A 32 4.997 16.674 -7.256 1.00 0.00 N ATOM 473 CA ASP A 32 3.815 17.555 -7.123 1.00 0.00 C ATOM 474 C ASP A 32 3.627 18.012 -5.662 1.00 0.00 C ATOM 475 O ASP A 32 3.628 19.217 -5.379 1.00 0.00 O ATOM 476 CB ASP A 32 2.530 16.827 -7.629 1.00 0.00 C ATOM 477 CG ASP A 32 1.268 17.716 -7.567 1.00 0.00 C ATOM 478 OD1 ASP A 32 1.012 18.455 -8.536 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.542 17.695 -6.549 1.00 0.00 O ATOM 0 H ASP A 32 4.779 15.682 -7.158 1.00 0.00 H new ATOM 0 HA ASP A 32 3.984 18.438 -7.739 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.686 16.499 -8.657 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.367 15.931 -7.029 1.00 0.00 H new ATOM 484 N LEU A 33 3.452 17.040 -4.743 1.00 0.00 N ATOM 485 CA LEU A 33 3.145 17.319 -3.321 1.00 0.00 C ATOM 486 C LEU A 33 4.374 17.856 -2.551 1.00 0.00 C ATOM 487 O LEU A 33 4.212 18.524 -1.522 1.00 0.00 O ATOM 488 CB LEU A 33 2.586 16.045 -2.630 1.00 0.00 C ATOM 489 CG LEU A 33 1.260 15.454 -3.214 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.867 14.155 -2.472 1.00 0.00 C ATOM 491 CD2 LEU A 33 0.112 16.492 -3.184 1.00 0.00 C ATOM 0 H LEU A 33 3.518 16.046 -4.961 1.00 0.00 H new ATOM 0 HA LEU A 33 2.386 18.101 -3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.352 15.271 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.422 16.273 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 33 1.438 15.204 -4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.058 13.761 -2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.661 13.417 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.720 14.371 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.793 16.046 -3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.073 16.800 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.392 17.362 -3.779 1.00 0.00 H new ATOM 503 N GLY A 34 5.591 17.576 -3.067 1.00 0.00 N ATOM 504 CA GLY A 34 6.834 17.990 -2.399 1.00 0.00 C ATOM 505 C GLY A 34 7.103 17.198 -1.122 1.00 0.00 C ATOM 506 O GLY A 34 7.378 17.768 -0.064 1.00 0.00 O ATOM 0 H GLY A 34 5.734 17.067 -3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.671 17.862 -3.085 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.778 19.052 -2.159 1.00 0.00 H new ATOM 510 N ILE A 35 7.007 15.869 -1.239 1.00 0.00 N ATOM 511 CA ILE A 35 7.169 14.921 -0.122 1.00 0.00 C ATOM 512 C ILE A 35 8.298 13.944 -0.472 1.00 0.00 C ATOM 513 O ILE A 35 8.160 13.148 -1.395 1.00 0.00 O ATOM 514 CB ILE A 35 5.835 14.113 0.143 1.00 0.00 C ATOM 515 CG1 ILE A 35 4.648 15.070 0.500 1.00 0.00 C ATOM 516 CG2 ILE A 35 6.034 13.039 1.237 1.00 0.00 C ATOM 517 CD1 ILE A 35 3.291 14.393 0.658 1.00 0.00 C ATOM 0 H ILE A 35 6.811 15.410 -2.128 1.00 0.00 H new ATOM 0 HA ILE A 35 7.409 15.479 0.783 1.00 0.00 H new ATOM 0 HB ILE A 35 5.577 13.598 -0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.887 15.588 1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.569 15.829 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.098 12.502 1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.806 12.337 0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.338 13.519 2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.538 15.141 0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.020 13.899 -0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.344 13.654 1.458 1.00 0.00 H new ATOM 529 N ASP A 36 9.398 14.009 0.281 1.00 0.00 N ATOM 530 CA ASP A 36 10.566 13.123 0.102 1.00 0.00 C ATOM 531 C ASP A 36 10.380 11.857 0.970 1.00 0.00 C ATOM 532 O ASP A 36 9.463 11.805 1.789 1.00 0.00 O ATOM 533 CB ASP A 36 11.861 13.915 0.483 1.00 0.00 C ATOM 534 CG ASP A 36 13.157 13.077 0.480 1.00 0.00 C ATOM 535 OD1 ASP A 36 13.622 12.685 -0.613 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.686 12.770 1.573 1.00 0.00 O ATOM 0 H ASP A 36 9.511 14.681 1.040 1.00 0.00 H new ATOM 0 HA ASP A 36 10.660 12.801 -0.935 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.980 14.745 -0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.727 14.347 1.475 1.00 0.00 H new ATOM 541 N SER A 37 11.250 10.856 0.759 1.00 0.00 N ATOM 542 CA SER A 37 11.342 9.615 1.562 1.00 0.00 C ATOM 543 C SER A 37 11.249 9.883 3.079 1.00 0.00 C ATOM 544 O SER A 37 10.440 9.251 3.761 1.00 0.00 O ATOM 545 CB SER A 37 12.672 8.902 1.204 1.00 0.00 C ATOM 546 OG SER A 37 13.233 8.131 2.285 1.00 0.00 O ATOM 0 H SER A 37 11.933 10.884 0.002 1.00 0.00 H new ATOM 0 HA SER A 37 10.492 8.977 1.319 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.502 8.244 0.352 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.400 9.650 0.889 1.00 0.00 H new ATOM 0 HG SER A 37 14.067 7.710 1.988 1.00 0.00 H new ATOM 551 N LEU A 38 12.048 10.854 3.576 1.00 0.00 N ATOM 552 CA LEU A 38 12.100 11.205 5.019 1.00 0.00 C ATOM 553 C LEU A 38 10.734 11.694 5.545 1.00 0.00 C ATOM 554 O LEU A 38 10.367 11.407 6.689 1.00 0.00 O ATOM 555 CB LEU A 38 13.182 12.278 5.301 1.00 0.00 C ATOM 556 CG LEU A 38 14.646 11.871 4.979 1.00 0.00 C ATOM 557 CD1 LEU A 38 15.632 13.010 5.321 1.00 0.00 C ATOM 558 CD2 LEU A 38 15.026 10.541 5.679 1.00 0.00 C ATOM 0 H LEU A 38 12.672 11.415 2.995 1.00 0.00 H new ATOM 0 HA LEU A 38 12.363 10.290 5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.939 13.171 4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.126 12.554 6.354 1.00 0.00 H new ATOM 0 HG LEU A 38 14.718 11.698 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.648 12.695 5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.382 13.896 4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.563 13.244 6.383 1.00 0.00 H new ATOM 0 HD21 LEU A 38 16.056 10.283 5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.927 10.657 6.758 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.362 9.747 5.337 1.00 0.00 H new ATOM 570 N ASP A 39 10.003 12.432 4.694 1.00 0.00 N ATOM 571 CA ASP A 39 8.640 12.922 5.005 1.00 0.00 C ATOM 572 C ASP A 39 7.639 11.762 4.931 1.00 0.00 C ATOM 573 O ASP A 39 6.730 11.644 5.763 1.00 0.00 O ATOM 574 CB ASP A 39 8.205 14.021 3.998 1.00 0.00 C ATOM 575 CG ASP A 39 9.175 15.202 3.939 1.00 0.00 C ATOM 576 OD1 ASP A 39 10.133 15.157 3.141 1.00 0.00 O ATOM 577 OD2 ASP A 39 8.978 16.185 4.684 1.00 0.00 O ATOM 0 H ASP A 39 10.335 12.708 3.770 1.00 0.00 H new ATOM 0 HA ASP A 39 8.654 13.343 6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.118 13.581 3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.215 14.385 4.273 1.00 0.00 H new ATOM 582 N PHE A 40 7.835 10.897 3.921 1.00 0.00 N ATOM 583 CA PHE A 40 6.889 9.833 3.573 1.00 0.00 C ATOM 584 C PHE A 40 6.990 8.659 4.561 1.00 0.00 C ATOM 585 O PHE A 40 6.105 7.822 4.583 1.00 0.00 O ATOM 586 CB PHE A 40 7.059 9.350 2.095 1.00 0.00 C ATOM 587 CG PHE A 40 5.766 8.768 1.483 1.00 0.00 C ATOM 588 CD1 PHE A 40 5.389 7.440 1.699 1.00 0.00 C ATOM 589 CD2 PHE A 40 4.903 9.570 0.732 1.00 0.00 C ATOM 590 CE1 PHE A 40 4.219 6.930 1.173 1.00 0.00 C ATOM 591 CE2 PHE A 40 3.726 9.059 0.210 1.00 0.00 C ATOM 592 CZ PHE A 40 3.381 7.742 0.439 1.00 0.00 C ATOM 0 H PHE A 40 8.660 10.920 3.322 1.00 0.00 H new ATOM 0 HA PHE A 40 5.888 10.256 3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.395 10.188 1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.842 8.593 2.057 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.026 6.799 2.290 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.158 10.605 0.556 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.960 5.894 1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.077 9.692 -0.377 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.456 7.349 0.044 1.00 0.00 H new ATOM 602 N LEU A 41 8.088 8.579 5.343 1.00 0.00 N ATOM 603 CA LEU A 41 8.240 7.560 6.413 1.00 0.00 C ATOM 604 C LEU A 41 7.026 7.574 7.374 1.00 0.00 C ATOM 605 O LEU A 41 6.371 6.544 7.565 1.00 0.00 O ATOM 606 CB LEU A 41 9.564 7.785 7.196 1.00 0.00 C ATOM 607 CG LEU A 41 10.877 7.523 6.397 1.00 0.00 C ATOM 608 CD1 LEU A 41 12.126 7.885 7.224 1.00 0.00 C ATOM 609 CD2 LEU A 41 10.928 6.063 5.888 1.00 0.00 C ATOM 0 H LEU A 41 8.886 9.208 5.256 1.00 0.00 H new ATOM 0 HA LEU A 41 8.281 6.578 5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.580 8.813 7.558 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.560 7.138 8.073 1.00 0.00 H new ATOM 0 HG LEU A 41 10.875 8.178 5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.022 7.689 6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.091 8.941 7.492 1.00 0.00 H new ATOM 0 HD13 LEU A 41 12.149 7.281 8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.853 5.903 5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.891 5.380 6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.076 5.876 5.235 1.00 0.00 H new ATOM 621 N ASP A 42 6.706 8.769 7.915 1.00 0.00 N ATOM 622 CA ASP A 42 5.570 8.952 8.854 1.00 0.00 C ATOM 623 C ASP A 42 4.223 8.735 8.138 1.00 0.00 C ATOM 624 O ASP A 42 3.274 8.196 8.722 1.00 0.00 O ATOM 625 CB ASP A 42 5.611 10.354 9.515 1.00 0.00 C ATOM 626 CG ASP A 42 4.589 10.521 10.660 1.00 0.00 C ATOM 627 OD1 ASP A 42 4.878 10.093 11.799 1.00 0.00 O ATOM 628 OD2 ASP A 42 3.494 11.076 10.425 1.00 0.00 O ATOM 0 H ASP A 42 7.220 9.628 7.718 1.00 0.00 H new ATOM 0 HA ASP A 42 5.667 8.202 9.639 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.613 10.536 9.903 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.421 11.112 8.755 1.00 0.00 H new ATOM 633 N ILE A 43 4.162 9.139 6.856 1.00 0.00 N ATOM 634 CA ILE A 43 2.981 8.917 6.003 1.00 0.00 C ATOM 635 C ILE A 43 2.770 7.408 5.760 1.00 0.00 C ATOM 636 O ILE A 43 1.637 6.932 5.729 1.00 0.00 O ATOM 637 CB ILE A 43 3.114 9.650 4.620 1.00 0.00 C ATOM 638 CG1 ILE A 43 3.348 11.178 4.831 1.00 0.00 C ATOM 639 CG2 ILE A 43 1.881 9.380 3.713 1.00 0.00 C ATOM 640 CD1 ILE A 43 3.449 11.989 3.553 1.00 0.00 C ATOM 0 H ILE A 43 4.925 9.625 6.385 1.00 0.00 H new ATOM 0 HA ILE A 43 2.121 9.331 6.530 1.00 0.00 H new ATOM 0 HB ILE A 43 3.984 9.245 4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.532 11.576 5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.264 11.315 5.405 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.006 9.902 2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.792 8.309 3.529 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.979 9.739 4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.611 13.038 3.800 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.284 11.623 2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.524 11.889 2.985 1.00 0.00 H new ATOM 652 N ALA A 44 3.885 6.663 5.640 1.00 0.00 N ATOM 653 CA ALA A 44 3.878 5.216 5.414 1.00 0.00 C ATOM 654 C ALA A 44 3.487 4.485 6.703 1.00 0.00 C ATOM 655 O ALA A 44 2.970 3.387 6.632 1.00 0.00 O ATOM 656 CB ALA A 44 5.252 4.733 4.912 1.00 0.00 C ATOM 0 H ALA A 44 4.823 7.059 5.699 1.00 0.00 H new ATOM 0 HA ALA A 44 3.140 4.989 4.644 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.222 3.655 4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.493 5.233 3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.014 4.968 5.655 1.00 0.00 H new ATOM 662 N PHE A 45 3.752 5.124 7.874 1.00 0.00 N ATOM 663 CA PHE A 45 3.307 4.632 9.199 1.00 0.00 C ATOM 664 C PHE A 45 1.792 4.861 9.389 1.00 0.00 C ATOM 665 O PHE A 45 1.117 4.073 10.059 1.00 0.00 O ATOM 666 CB PHE A 45 4.099 5.300 10.368 1.00 0.00 C ATOM 667 CG PHE A 45 5.512 4.753 10.559 1.00 0.00 C ATOM 668 CD1 PHE A 45 5.712 3.415 10.886 1.00 0.00 C ATOM 669 CD2 PHE A 45 6.634 5.568 10.425 1.00 0.00 C ATOM 670 CE1 PHE A 45 6.987 2.907 11.062 1.00 0.00 C ATOM 671 CE2 PHE A 45 7.909 5.064 10.604 1.00 0.00 C ATOM 672 CZ PHE A 45 8.085 3.731 10.920 1.00 0.00 C ATOM 0 H PHE A 45 4.281 5.995 7.922 1.00 0.00 H new ATOM 0 HA PHE A 45 3.512 3.562 9.226 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.158 6.373 10.185 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.541 5.165 11.294 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.859 2.763 11.004 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.506 6.611 10.177 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.123 1.865 11.311 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.766 5.712 10.497 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.080 3.334 11.056 1.00 0.00 H new ATOM 682 N ALA A 46 1.273 5.946 8.798 1.00 0.00 N ATOM 683 CA ALA A 46 -0.168 6.254 8.823 1.00 0.00 C ATOM 684 C ALA A 46 -0.942 5.257 7.931 1.00 0.00 C ATOM 685 O ALA A 46 -1.950 4.677 8.351 1.00 0.00 O ATOM 686 CB ALA A 46 -0.395 7.708 8.374 1.00 0.00 C ATOM 0 H ALA A 46 1.833 6.632 8.292 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.546 6.150 9.840 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.461 7.933 8.394 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.131 8.383 9.049 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.015 7.839 7.361 1.00 0.00 H new ATOM 692 N ILE A 47 -0.431 5.055 6.701 1.00 0.00 N ATOM 693 CA ILE A 47 -0.956 4.051 5.740 1.00 0.00 C ATOM 694 C ILE A 47 -0.818 2.625 6.319 1.00 0.00 C ATOM 695 O ILE A 47 -1.712 1.787 6.153 1.00 0.00 O ATOM 696 CB ILE A 47 -0.199 4.154 4.354 1.00 0.00 C ATOM 697 CG1 ILE A 47 -0.457 5.546 3.688 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.581 3.003 3.388 1.00 0.00 C ATOM 699 CD1 ILE A 47 0.312 5.807 2.392 1.00 0.00 C ATOM 0 H ILE A 47 0.362 5.584 6.339 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.013 4.260 5.573 1.00 0.00 H new ATOM 0 HB ILE A 47 0.867 4.055 4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.523 5.639 3.483 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.201 6.326 4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.036 3.118 2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.324 2.046 3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.652 3.034 3.190 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.061 6.798 2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.383 5.753 2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.040 5.056 1.650 1.00 0.00 H new ATOM 711 N ASP A 48 0.312 2.396 7.015 1.00 0.00 N ATOM 712 CA ASP A 48 0.652 1.118 7.674 1.00 0.00 C ATOM 713 C ASP A 48 -0.498 0.627 8.560 1.00 0.00 C ATOM 714 O ASP A 48 -1.141 -0.392 8.282 1.00 0.00 O ATOM 715 CB ASP A 48 1.940 1.325 8.526 1.00 0.00 C ATOM 716 CG ASP A 48 2.453 0.101 9.294 1.00 0.00 C ATOM 717 OD1 ASP A 48 1.996 -0.142 10.436 1.00 0.00 O ATOM 718 OD2 ASP A 48 3.359 -0.588 8.790 1.00 0.00 O ATOM 0 H ASP A 48 1.030 3.109 7.138 1.00 0.00 H new ATOM 0 HA ASP A 48 0.825 0.358 6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.735 1.672 7.865 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.751 2.124 9.243 1.00 0.00 H new ATOM 723 N LYS A 49 -0.767 1.419 9.595 1.00 0.00 N ATOM 724 CA LYS A 49 -1.712 1.081 10.661 1.00 0.00 C ATOM 725 C LYS A 49 -3.160 1.061 10.147 1.00 0.00 C ATOM 726 O LYS A 49 -3.968 0.246 10.611 1.00 0.00 O ATOM 727 CB LYS A 49 -1.524 2.099 11.808 1.00 0.00 C ATOM 728 CG LYS A 49 -0.100 2.058 12.425 1.00 0.00 C ATOM 729 CD LYS A 49 0.259 3.342 13.200 1.00 0.00 C ATOM 730 CE LYS A 49 -0.710 3.651 14.351 1.00 0.00 C ATOM 731 NZ LYS A 49 -0.400 4.950 14.998 1.00 0.00 N ATOM 0 H LYS A 49 -0.327 2.331 9.720 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.511 0.075 11.029 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.723 3.103 11.432 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.258 1.899 12.588 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.026 1.202 13.096 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.630 1.904 11.630 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.268 3.246 13.601 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.270 4.184 12.508 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.732 3.669 13.971 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.659 2.854 15.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.075 5.123 15.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.566 4.925 15.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.473 5.714 14.296 1.00 0.00 H new ATOM 745 N ALA A 50 -3.466 1.957 9.184 1.00 0.00 N ATOM 746 CA ALA A 50 -4.790 2.029 8.537 1.00 0.00 C ATOM 747 C ALA A 50 -5.172 0.686 7.872 1.00 0.00 C ATOM 748 O ALA A 50 -6.155 0.048 8.263 1.00 0.00 O ATOM 749 CB ALA A 50 -4.811 3.173 7.507 1.00 0.00 C ATOM 0 H ALA A 50 -2.802 2.649 8.835 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.533 2.232 9.308 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.792 3.219 7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.606 4.118 8.009 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.050 2.993 6.747 1.00 0.00 H new ATOM 755 N PHE A 51 -4.335 0.246 6.914 1.00 0.00 N ATOM 756 CA PHE A 51 -4.585 -0.959 6.090 1.00 0.00 C ATOM 757 C PHE A 51 -4.189 -2.263 6.816 1.00 0.00 C ATOM 758 O PHE A 51 -4.550 -3.362 6.361 1.00 0.00 O ATOM 759 CB PHE A 51 -3.814 -0.857 4.753 1.00 0.00 C ATOM 760 CG PHE A 51 -4.317 0.213 3.789 1.00 0.00 C ATOM 761 CD1 PHE A 51 -3.919 1.542 3.909 1.00 0.00 C ATOM 762 CD2 PHE A 51 -5.182 -0.118 2.753 1.00 0.00 C ATOM 763 CE1 PHE A 51 -4.355 2.496 3.016 1.00 0.00 C ATOM 764 CE2 PHE A 51 -5.614 0.834 1.859 1.00 0.00 C ATOM 765 CZ PHE A 51 -5.205 2.140 1.994 1.00 0.00 C ATOM 0 H PHE A 51 -3.460 0.717 6.686 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.658 -1.000 5.902 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.765 -0.660 4.972 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.859 -1.824 4.252 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.259 1.829 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.520 -1.138 2.648 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.030 3.521 3.118 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.274 0.556 1.051 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.552 2.888 1.296 1.00 0.00 H new ATOM 775 N GLY A 52 -3.452 -2.136 7.932 1.00 0.00 N ATOM 776 CA GLY A 52 -2.939 -3.301 8.669 1.00 0.00 C ATOM 777 C GLY A 52 -1.772 -3.997 7.962 1.00 0.00 C ATOM 778 O GLY A 52 -1.410 -5.119 8.317 1.00 0.00 O ATOM 0 H GLY A 52 -3.199 -1.238 8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.617 -2.982 9.660 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.748 -4.017 8.812 1.00 0.00 H new ATOM 782 N ILE A 53 -1.176 -3.309 6.976 1.00 0.00 N ATOM 783 CA ILE A 53 -0.034 -3.813 6.172 1.00 0.00 C ATOM 784 C ILE A 53 1.171 -2.889 6.391 1.00 0.00 C ATOM 785 O ILE A 53 1.009 -1.795 6.914 1.00 0.00 O ATOM 786 CB ILE A 53 -0.407 -3.886 4.630 1.00 0.00 C ATOM 787 CG1 ILE A 53 -0.782 -2.471 4.025 1.00 0.00 C ATOM 788 CG2 ILE A 53 -1.538 -4.909 4.390 1.00 0.00 C ATOM 789 CD1 ILE A 53 0.301 -1.804 3.196 1.00 0.00 C ATOM 0 H ILE A 53 -1.473 -2.372 6.705 1.00 0.00 H new ATOM 0 HA ILE A 53 0.213 -4.824 6.496 1.00 0.00 H new ATOM 0 HB ILE A 53 0.486 -4.222 4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.671 -2.585 3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.049 -1.804 4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.778 -4.943 3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.213 -5.895 4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.423 -4.612 4.952 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.060 -0.843 2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.187 -1.649 3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.555 -2.441 2.349 1.00 0.00 H new ATOM 801 N LYS A 54 2.379 -3.326 6.015 1.00 0.00 N ATOM 802 CA LYS A 54 3.561 -2.445 6.002 1.00 0.00 C ATOM 803 C LYS A 54 3.958 -2.146 4.558 1.00 0.00 C ATOM 804 O LYS A 54 3.921 -3.039 3.704 1.00 0.00 O ATOM 805 CB LYS A 54 4.768 -3.062 6.778 1.00 0.00 C ATOM 806 CG LYS A 54 5.988 -2.106 6.848 1.00 0.00 C ATOM 807 CD LYS A 54 7.195 -2.646 7.641 1.00 0.00 C ATOM 808 CE LYS A 54 8.384 -1.656 7.633 1.00 0.00 C ATOM 809 NZ LYS A 54 9.546 -2.165 8.409 1.00 0.00 N ATOM 0 H LYS A 54 2.567 -4.283 5.715 1.00 0.00 H new ATOM 0 HA LYS A 54 3.293 -1.520 6.513 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.452 -3.316 7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.068 -3.992 6.295 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.312 -1.880 5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.668 -1.166 7.298 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.894 -2.843 8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.513 -3.597 7.214 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.691 -1.468 6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.062 -0.701 8.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.318 -1.469 8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.262 -2.320 9.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.872 -3.063 7.998 1.00 0.00 H new ATOM 823 N LEU A 55 4.307 -0.884 4.277 1.00 0.00 N ATOM 824 CA LEU A 55 4.967 -0.518 3.026 1.00 0.00 C ATOM 825 C LEU A 55 6.471 -0.807 3.166 1.00 0.00 C ATOM 826 O LEU A 55 7.072 -0.385 4.163 1.00 0.00 O ATOM 827 CB LEU A 55 4.749 0.995 2.708 1.00 0.00 C ATOM 828 CG LEU A 55 3.262 1.467 2.587 1.00 0.00 C ATOM 829 CD1 LEU A 55 3.168 2.966 2.200 1.00 0.00 C ATOM 830 CD2 LEU A 55 2.475 0.586 1.596 1.00 0.00 C ATOM 0 H LEU A 55 4.140 -0.098 4.906 1.00 0.00 H new ATOM 0 HA LEU A 55 4.542 -1.101 2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.233 1.582 3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.259 1.226 1.773 1.00 0.00 H new ATOM 0 HG LEU A 55 2.805 1.354 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.120 3.257 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.659 3.570 2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.658 3.125 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.446 0.939 1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.938 0.643 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.484 -0.448 1.942 1.00 0.00 H new ATOM 842 N PRO A 56 7.106 -1.557 2.217 1.00 0.00 N ATOM 843 CA PRO A 56 8.578 -1.586 2.089 1.00 0.00 C ATOM 844 C PRO A 56 9.089 -0.261 1.489 1.00 0.00 C ATOM 845 O PRO A 56 9.761 -0.266 0.478 1.00 0.00 O ATOM 846 CB PRO A 56 8.849 -2.812 1.153 1.00 0.00 C ATOM 847 CG PRO A 56 7.535 -3.535 1.066 1.00 0.00 C ATOM 848 CD PRO A 56 6.474 -2.479 1.256 1.00 0.00 C ATOM 0 HA PRO A 56 9.098 -1.688 3.041 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.187 -2.489 0.168 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.627 -3.456 1.562 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.425 -4.032 0.102 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.461 -4.306 1.832 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.226 -1.980 0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.548 -2.900 1.648 1.00 0.00 H new ATOM 856 N LEU A 57 8.780 0.867 2.166 1.00 0.00 N ATOM 857 CA LEU A 57 9.030 2.235 1.662 1.00 0.00 C ATOM 858 C LEU A 57 10.548 2.473 1.533 1.00 0.00 C ATOM 859 O LEU A 57 11.010 3.077 0.561 1.00 0.00 O ATOM 860 CB LEU A 57 8.343 3.271 2.630 1.00 0.00 C ATOM 861 CG LEU A 57 8.081 4.738 2.113 1.00 0.00 C ATOM 862 CD1 LEU A 57 9.344 5.623 2.103 1.00 0.00 C ATOM 863 CD2 LEU A 57 7.388 4.719 0.740 1.00 0.00 C ATOM 0 H LEU A 57 8.345 0.853 3.088 1.00 0.00 H new ATOM 0 HA LEU A 57 8.598 2.364 0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.384 2.852 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.958 3.342 3.527 1.00 0.00 H new ATOM 0 HG LEU A 57 7.407 5.202 2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.089 6.617 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.742 5.701 3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.095 5.177 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.218 5.742 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.022 4.201 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.433 4.200 0.822 1.00 0.00 H new ATOM 875 N GLU A 58 11.295 1.942 2.514 1.00 0.00 N ATOM 876 CA GLU A 58 12.762 2.008 2.556 1.00 0.00 C ATOM 877 C GLU A 58 13.358 1.251 1.364 1.00 0.00 C ATOM 878 O GLU A 58 14.249 1.758 0.681 1.00 0.00 O ATOM 879 CB GLU A 58 13.266 1.400 3.888 1.00 0.00 C ATOM 880 CG GLU A 58 12.650 2.042 5.143 1.00 0.00 C ATOM 881 CD GLU A 58 12.938 1.238 6.419 1.00 0.00 C ATOM 882 OE1 GLU A 58 12.357 0.136 6.568 1.00 0.00 O ATOM 883 OE2 GLU A 58 13.742 1.686 7.264 1.00 0.00 O ATOM 0 H GLU A 58 10.890 1.449 3.310 1.00 0.00 H new ATOM 0 HA GLU A 58 13.080 3.049 2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.047 0.332 3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.350 1.503 3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.041 3.053 5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.572 2.131 5.009 1.00 0.00 H new ATOM 890 N LYS A 59 12.809 0.050 1.106 1.00 0.00 N ATOM 891 CA LYS A 59 13.267 -0.846 0.033 1.00 0.00 C ATOM 892 C LYS A 59 12.965 -0.255 -1.354 1.00 0.00 C ATOM 893 O LYS A 59 13.838 -0.241 -2.223 1.00 0.00 O ATOM 894 CB LYS A 59 12.599 -2.237 0.191 1.00 0.00 C ATOM 895 CG LYS A 59 13.110 -3.312 -0.792 1.00 0.00 C ATOM 896 CD LYS A 59 12.507 -4.701 -0.513 1.00 0.00 C ATOM 897 CE LYS A 59 13.054 -5.769 -1.465 1.00 0.00 C ATOM 898 NZ LYS A 59 12.451 -7.101 -1.225 1.00 0.00 N ATOM 0 H LYS A 59 12.028 -0.328 1.642 1.00 0.00 H new ATOM 0 HA LYS A 59 14.348 -0.957 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.761 -2.589 1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.523 -2.125 0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.867 -3.012 -1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.196 -3.372 -0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.722 -4.989 0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.422 -4.651 -0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.863 -5.467 -2.495 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.136 -5.836 -1.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.853 -7.789 -1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.655 -7.404 -0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.422 -7.046 -1.362 1.00 0.00 H new ATOM 912 N TRP A 60 11.735 0.256 -1.511 1.00 0.00 N ATOM 913 CA TRP A 60 11.236 0.858 -2.760 1.00 0.00 C ATOM 914 C TRP A 60 12.113 2.046 -3.163 1.00 0.00 C ATOM 915 O TRP A 60 12.648 2.088 -4.276 1.00 0.00 O ATOM 916 CB TRP A 60 9.764 1.334 -2.582 1.00 0.00 C ATOM 917 CG TRP A 60 8.733 0.238 -2.465 1.00 0.00 C ATOM 918 CD1 TRP A 60 8.908 -1.110 -2.641 1.00 0.00 C ATOM 919 CD2 TRP A 60 7.341 0.421 -2.176 1.00 0.00 C ATOM 920 NE1 TRP A 60 7.719 -1.765 -2.461 1.00 0.00 N ATOM 921 CE2 TRP A 60 6.743 -0.849 -2.182 1.00 0.00 C ATOM 922 CE3 TRP A 60 6.547 1.540 -1.905 1.00 0.00 C ATOM 923 CZ2 TRP A 60 5.390 -1.034 -1.939 1.00 0.00 C ATOM 924 CZ3 TRP A 60 5.199 1.356 -1.662 1.00 0.00 C ATOM 925 CH2 TRP A 60 4.632 0.074 -1.679 1.00 0.00 C ATOM 0 H TRP A 60 11.045 0.263 -0.760 1.00 0.00 H new ATOM 0 HA TRP A 60 11.274 0.102 -3.544 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.708 1.957 -1.690 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.501 1.967 -3.430 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.846 -1.586 -2.886 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.583 -2.774 -2.525 1.00 0.00 H new ATOM 0 HE3 TRP A 60 6.979 2.530 -1.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.950 -2.020 -1.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 4.574 2.212 -1.456 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.576 -0.041 -1.483 1.00 0.00 H new ATOM 936 N THR A 61 12.293 2.978 -2.209 1.00 0.00 N ATOM 937 CA THR A 61 13.038 4.223 -2.438 1.00 0.00 C ATOM 938 C THR A 61 14.556 3.951 -2.516 1.00 0.00 C ATOM 939 O THR A 61 15.291 4.739 -3.108 1.00 0.00 O ATOM 940 CB THR A 61 12.719 5.301 -1.348 1.00 0.00 C ATOM 941 OG1 THR A 61 11.295 5.360 -1.136 1.00 0.00 O ATOM 942 CG2 THR A 61 13.215 6.708 -1.755 1.00 0.00 C ATOM 0 H THR A 61 11.926 2.887 -1.262 1.00 0.00 H new ATOM 0 HA THR A 61 12.712 4.624 -3.398 1.00 0.00 H new ATOM 0 HB THR A 61 13.239 5.007 -0.437 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.020 4.620 -0.555 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.971 7.422 -0.968 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.295 6.685 -1.902 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.729 7.011 -2.683 1.00 0.00 H new ATOM 950 N GLN A 62 15.015 2.793 -1.985 1.00 0.00 N ATOM 951 CA GLN A 62 16.427 2.377 -2.092 1.00 0.00 C ATOM 952 C GLN A 62 16.696 1.912 -3.529 1.00 0.00 C ATOM 953 O GLN A 62 17.716 2.248 -4.107 1.00 0.00 O ATOM 954 CB GLN A 62 16.751 1.238 -1.085 1.00 0.00 C ATOM 955 CG GLN A 62 18.184 0.680 -1.178 1.00 0.00 C ATOM 956 CD GLN A 62 18.561 -0.233 -0.004 1.00 0.00 C ATOM 957 OE1 GLN A 62 19.072 0.230 1.019 1.00 0.00 O ATOM 958 NE2 GLN A 62 18.321 -1.522 -0.139 1.00 0.00 N ATOM 0 H GLN A 62 14.425 2.133 -1.479 1.00 0.00 H new ATOM 0 HA GLN A 62 17.070 3.223 -1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.586 1.609 -0.073 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.047 0.421 -1.244 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.289 0.124 -2.109 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.887 1.512 -1.222 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.897 -1.875 -0.997 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.559 -2.167 0.615 1.00 0.00 H new ATOM 967 N GLU A 63 15.724 1.160 -4.088 1.00 0.00 N ATOM 968 CA GLU A 63 15.741 0.687 -5.489 1.00 0.00 C ATOM 969 C GLU A 63 15.642 1.873 -6.465 1.00 0.00 C ATOM 970 O GLU A 63 16.239 1.853 -7.540 1.00 0.00 O ATOM 971 CB GLU A 63 14.592 -0.338 -5.731 1.00 0.00 C ATOM 972 CG GLU A 63 14.758 -1.642 -4.933 1.00 0.00 C ATOM 973 CD GLU A 63 13.623 -2.653 -5.156 1.00 0.00 C ATOM 974 OE1 GLU A 63 12.599 -2.597 -4.434 1.00 0.00 O ATOM 975 OE2 GLU A 63 13.744 -3.502 -6.071 1.00 0.00 O ATOM 0 H GLU A 63 14.896 0.861 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 63 16.689 0.182 -5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.641 0.124 -5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.544 -0.575 -6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.705 -2.107 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.816 -1.403 -3.871 1.00 0.00 H new ATOM 982 N VAL A 64 14.906 2.916 -6.059 1.00 0.00 N ATOM 983 CA VAL A 64 14.839 4.183 -6.804 1.00 0.00 C ATOM 984 C VAL A 64 16.232 4.857 -6.827 1.00 0.00 C ATOM 985 O VAL A 64 16.724 5.258 -7.894 1.00 0.00 O ATOM 986 CB VAL A 64 13.747 5.145 -6.198 1.00 0.00 C ATOM 987 CG1 VAL A 64 13.803 6.555 -6.826 1.00 0.00 C ATOM 988 CG2 VAL A 64 12.329 4.533 -6.347 1.00 0.00 C ATOM 0 H VAL A 64 14.342 2.907 -5.209 1.00 0.00 H new ATOM 0 HA VAL A 64 14.543 3.967 -7.830 1.00 0.00 H new ATOM 0 HB VAL A 64 13.968 5.255 -5.136 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.033 7.183 -6.378 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.783 6.996 -6.643 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.633 6.482 -7.900 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.592 5.214 -5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.110 4.375 -7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.287 3.579 -5.821 1.00 0.00 H new ATOM 998 N ASN A 65 16.869 4.928 -5.643 1.00 0.00 N ATOM 999 CA ASN A 65 18.229 5.487 -5.474 1.00 0.00 C ATOM 1000 C ASN A 65 19.309 4.610 -6.152 1.00 0.00 C ATOM 1001 O ASN A 65 20.378 5.112 -6.508 1.00 0.00 O ATOM 1002 CB ASN A 65 18.560 5.668 -3.960 1.00 0.00 C ATOM 1003 CG ASN A 65 17.631 6.653 -3.232 1.00 0.00 C ATOM 1004 OD1 ASN A 65 17.112 7.601 -3.825 1.00 0.00 O ATOM 1005 ND2 ASN A 65 17.429 6.452 -1.936 1.00 0.00 N ATOM 0 H ASN A 65 16.455 4.598 -4.771 1.00 0.00 H new ATOM 0 HA ASN A 65 18.239 6.460 -5.965 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.502 4.698 -3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.589 6.014 -3.862 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.833 7.089 -1.408 1.00 0.00 H new ATOM 0 HD22 ASN A 65 17.870 5.660 -1.468 1.00 0.00 H new ATOM 1012 N ASP A 66 19.031 3.300 -6.321 1.00 0.00 N ATOM 1013 CA ASP A 66 19.946 2.343 -6.997 1.00 0.00 C ATOM 1014 C ASP A 66 19.645 2.237 -8.505 1.00 0.00 C ATOM 1015 O ASP A 66 20.253 1.413 -9.197 1.00 0.00 O ATOM 1016 CB ASP A 66 19.832 0.927 -6.349 1.00 0.00 C ATOM 1017 CG ASP A 66 20.321 0.818 -4.889 1.00 0.00 C ATOM 1018 OD1 ASP A 66 21.031 1.720 -4.400 1.00 0.00 O ATOM 1019 OD2 ASP A 66 20.005 -0.198 -4.221 1.00 0.00 O ATOM 0 H ASP A 66 18.165 2.871 -5.994 1.00 0.00 H new ATOM 0 HA ASP A 66 20.960 2.724 -6.872 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.789 0.613 -6.388 1.00 0.00 H new ATOM 0 HB3 ASP A 66 20.400 0.223 -6.957 1.00 0.00 H new ATOM 1024 N GLY A 67 18.692 3.051 -9.002 1.00 0.00 N ATOM 1025 CA GLY A 67 18.296 3.049 -10.420 1.00 0.00 C ATOM 1026 C GLY A 67 17.510 1.811 -10.870 1.00 0.00 C ATOM 1027 O GLY A 67 17.194 1.678 -12.057 1.00 0.00 O ATOM 0 H GLY A 67 18.179 3.724 -8.433 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.692 3.935 -10.615 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.193 3.134 -11.033 1.00 0.00 H new ATOM 1031 N LYS A 68 17.201 0.911 -9.920 1.00 0.00 N ATOM 1032 CA LYS A 68 16.411 -0.312 -10.171 1.00 0.00 C ATOM 1033 C LYS A 68 14.982 0.046 -10.622 1.00 0.00 C ATOM 1034 O LYS A 68 14.391 -0.634 -11.468 1.00 0.00 O ATOM 1035 CB LYS A 68 16.331 -1.168 -8.883 1.00 0.00 C ATOM 1036 CG LYS A 68 17.685 -1.550 -8.249 1.00 0.00 C ATOM 1037 CD LYS A 68 18.554 -2.465 -9.141 1.00 0.00 C ATOM 1038 CE LYS A 68 19.851 -2.895 -8.437 1.00 0.00 C ATOM 1039 NZ LYS A 68 19.573 -3.608 -7.158 1.00 0.00 N ATOM 0 H LYS A 68 17.494 1.011 -8.948 1.00 0.00 H new ATOM 0 HA LYS A 68 16.906 -0.877 -10.961 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.745 -0.624 -8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.786 -2.084 -9.111 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.242 -0.640 -8.027 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.502 -2.052 -7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.982 -3.350 -9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.800 -1.942 -10.065 1.00 0.00 H new ATOM 0 HE2 LYS A 68 20.426 -3.544 -9.098 1.00 0.00 H new ATOM 0 HE3 LYS A 68 20.466 -2.017 -8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.433 -4.100 -6.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.280 -2.921 -6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.812 -4.301 -7.305 1.00 0.00 H new ATOM 1053 N ALA A 69 14.454 1.132 -10.040 1.00 0.00 N ATOM 1054 CA ALA A 69 13.090 1.615 -10.284 1.00 0.00 C ATOM 1055 C ALA A 69 13.080 3.141 -10.326 1.00 0.00 C ATOM 1056 O ALA A 69 14.052 3.790 -9.927 1.00 0.00 O ATOM 1057 CB ALA A 69 12.137 1.102 -9.196 1.00 0.00 C ATOM 0 H ALA A 69 14.972 1.708 -9.376 1.00 0.00 H new ATOM 0 HA ALA A 69 12.747 1.234 -11.246 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.130 1.469 -9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.133 0.012 -9.200 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.471 1.460 -8.222 1.00 0.00 H new ATOM 1063 N THR A 70 11.992 3.693 -10.858 1.00 0.00 N ATOM 1064 CA THR A 70 11.743 5.136 -10.905 1.00 0.00 C ATOM 1065 C THR A 70 10.831 5.529 -9.725 1.00 0.00 C ATOM 1066 O THR A 70 10.087 4.681 -9.211 1.00 0.00 O ATOM 1067 CB THR A 70 11.063 5.509 -12.270 1.00 0.00 C ATOM 1068 OG1 THR A 70 11.748 4.834 -13.340 1.00 0.00 O ATOM 1069 CG2 THR A 70 11.076 7.023 -12.541 1.00 0.00 C ATOM 0 H THR A 70 11.243 3.141 -11.277 1.00 0.00 H new ATOM 0 HA THR A 70 12.685 5.679 -10.825 1.00 0.00 H new ATOM 0 HB THR A 70 10.021 5.194 -12.213 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.466 3.896 -13.369 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.594 7.226 -13.497 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.538 7.540 -11.746 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.106 7.378 -12.572 1.00 0.00 H new ATOM 1077 N THR A 71 10.912 6.808 -9.300 1.00 0.00 N ATOM 1078 CA THR A 71 10.025 7.386 -8.275 1.00 0.00 C ATOM 1079 C THR A 71 8.537 7.142 -8.622 1.00 0.00 C ATOM 1080 O THR A 71 7.783 6.644 -7.798 1.00 0.00 O ATOM 1081 CB THR A 71 10.271 8.925 -8.127 1.00 0.00 C ATOM 1082 OG1 THR A 71 10.060 9.570 -9.393 1.00 0.00 O ATOM 1083 CG2 THR A 71 11.679 9.262 -7.617 1.00 0.00 C ATOM 0 H THR A 71 11.599 7.470 -9.662 1.00 0.00 H new ATOM 0 HA THR A 71 10.257 6.891 -7.332 1.00 0.00 H new ATOM 0 HB THR A 71 9.562 9.288 -7.383 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.387 10.275 -9.293 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.787 10.344 -7.536 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.830 8.808 -6.638 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.421 8.874 -8.315 1.00 0.00 H new ATOM 1091 N GLU A 72 8.165 7.490 -9.873 1.00 0.00 N ATOM 1092 CA GLU A 72 6.806 7.310 -10.455 1.00 0.00 C ATOM 1093 C GLU A 72 6.128 5.969 -10.081 1.00 0.00 C ATOM 1094 O GLU A 72 4.967 5.943 -9.640 1.00 0.00 O ATOM 1095 CB GLU A 72 6.894 7.411 -11.999 1.00 0.00 C ATOM 1096 CG GLU A 72 7.557 8.694 -12.532 1.00 0.00 C ATOM 1097 CD GLU A 72 7.609 8.738 -14.069 1.00 0.00 C ATOM 1098 OE1 GLU A 72 8.494 8.084 -14.668 1.00 0.00 O ATOM 1099 OE2 GLU A 72 6.742 9.390 -14.684 1.00 0.00 O ATOM 0 H GLU A 72 8.818 7.917 -10.530 1.00 0.00 H new ATOM 0 HA GLU A 72 6.188 8.101 -10.031 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.450 6.551 -12.373 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.887 7.343 -12.410 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.008 9.561 -12.166 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.570 8.767 -12.136 1.00 0.00 H new ATOM 1106 N GLN A 73 6.906 4.887 -10.231 1.00 0.00 N ATOM 1107 CA GLN A 73 6.446 3.498 -10.033 1.00 0.00 C ATOM 1108 C GLN A 73 5.814 3.266 -8.636 1.00 0.00 C ATOM 1109 O GLN A 73 4.908 2.432 -8.485 1.00 0.00 O ATOM 1110 CB GLN A 73 7.625 2.520 -10.260 1.00 0.00 C ATOM 1111 CG GLN A 73 8.254 2.581 -11.674 1.00 0.00 C ATOM 1112 CD GLN A 73 9.401 1.582 -11.891 1.00 0.00 C ATOM 1113 OE1 GLN A 73 10.359 1.935 -12.739 1.00 0.00 O flip ATOM 1114 NE2 GLN A 73 9.426 0.504 -11.301 1.00 0.00 N flip ATOM 0 H GLN A 73 7.889 4.950 -10.497 1.00 0.00 H new ATOM 0 HA GLN A 73 5.661 3.310 -10.765 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.400 2.730 -9.523 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.277 1.504 -10.076 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.477 2.393 -12.415 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.626 3.590 -11.852 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.676 0.259 -10.655 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.197 -0.145 -11.458 1.00 0.00 H new ATOM 1123 N TYR A 74 6.290 4.018 -7.627 1.00 0.00 N ATOM 1124 CA TYR A 74 5.823 3.885 -6.232 1.00 0.00 C ATOM 1125 C TYR A 74 5.174 5.174 -5.693 1.00 0.00 C ATOM 1126 O TYR A 74 4.485 5.116 -4.679 1.00 0.00 O ATOM 1127 CB TYR A 74 7.015 3.484 -5.322 1.00 0.00 C ATOM 1128 CG TYR A 74 7.736 2.205 -5.765 1.00 0.00 C ATOM 1129 CD1 TYR A 74 7.074 0.974 -5.772 1.00 0.00 C ATOM 1130 CD2 TYR A 74 9.070 2.232 -6.185 1.00 0.00 C ATOM 1131 CE1 TYR A 74 7.718 -0.180 -6.166 1.00 0.00 C ATOM 1132 CE2 TYR A 74 9.712 1.078 -6.580 1.00 0.00 C ATOM 1133 CZ TYR A 74 9.032 -0.124 -6.574 1.00 0.00 C ATOM 1134 OH TYR A 74 9.675 -1.279 -6.969 1.00 0.00 O ATOM 0 H TYR A 74 7.007 4.733 -7.753 1.00 0.00 H new ATOM 0 HA TYR A 74 5.056 3.111 -6.222 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.733 4.304 -5.299 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.652 3.350 -4.303 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.040 0.926 -5.463 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.605 3.170 -6.200 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.194 -1.124 -6.155 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.745 1.114 -6.894 1.00 0.00 H new ATOM 0 HH TYR A 74 10.596 -1.068 -7.228 1.00 0.00 H new ATOM 1144 N PHE A 75 5.388 6.333 -6.346 1.00 0.00 N ATOM 1145 CA PHE A 75 5.015 7.651 -5.769 1.00 0.00 C ATOM 1146 C PHE A 75 3.928 8.396 -6.581 1.00 0.00 C ATOM 1147 O PHE A 75 3.553 9.495 -6.193 1.00 0.00 O ATOM 1148 CB PHE A 75 6.282 8.547 -5.608 1.00 0.00 C ATOM 1149 CG PHE A 75 7.238 8.138 -4.477 1.00 0.00 C ATOM 1150 CD1 PHE A 75 7.070 8.641 -3.183 1.00 0.00 C ATOM 1151 CD2 PHE A 75 8.315 7.277 -4.707 1.00 0.00 C ATOM 1152 CE1 PHE A 75 7.938 8.298 -2.163 1.00 0.00 C ATOM 1153 CE2 PHE A 75 9.184 6.933 -3.683 1.00 0.00 C ATOM 1154 CZ PHE A 75 8.996 7.447 -2.410 1.00 0.00 C ATOM 0 H PHE A 75 5.815 6.389 -7.270 1.00 0.00 H new ATOM 0 HA PHE A 75 4.579 7.447 -4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.834 8.539 -6.548 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.961 9.574 -5.436 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.247 9.310 -2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.472 6.874 -5.697 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.788 8.697 -1.171 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.009 6.263 -3.878 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.676 7.182 -1.613 1.00 0.00 H new ATOM 1164 N VAL A 76 3.394 7.811 -7.668 1.00 0.00 N ATOM 1165 CA VAL A 76 2.217 8.409 -8.363 1.00 0.00 C ATOM 1166 C VAL A 76 0.985 7.830 -7.667 1.00 0.00 C ATOM 1167 O VAL A 76 0.798 6.635 -7.706 1.00 0.00 O ATOM 1168 CB VAL A 76 2.170 8.108 -9.910 1.00 0.00 C ATOM 1169 CG1 VAL A 76 0.866 8.637 -10.556 1.00 0.00 C ATOM 1170 CG2 VAL A 76 3.403 8.698 -10.625 1.00 0.00 C ATOM 0 H VAL A 76 3.741 6.946 -8.084 1.00 0.00 H new ATOM 0 HA VAL A 76 2.269 9.496 -8.296 1.00 0.00 H new ATOM 0 HB VAL A 76 2.185 7.025 -10.029 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.870 8.411 -11.622 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.007 8.157 -10.087 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.801 9.716 -10.414 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.346 8.476 -11.691 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.426 9.778 -10.480 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.310 8.257 -10.211 1.00 0.00 H new ATOM 1180 N LEU A 77 0.168 8.682 -7.045 1.00 0.00 N ATOM 1181 CA LEU A 77 -0.810 8.279 -6.002 1.00 0.00 C ATOM 1182 C LEU A 77 -1.822 7.175 -6.420 1.00 0.00 C ATOM 1183 O LEU A 77 -2.342 6.477 -5.546 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.537 9.537 -5.472 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.602 10.635 -4.864 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -1.399 11.865 -4.416 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.274 10.078 -3.716 1.00 0.00 C ATOM 0 H LEU A 77 0.157 9.682 -7.244 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.227 7.807 -5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.108 9.979 -6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.254 9.230 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 77 0.075 10.953 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.719 12.607 -3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.921 12.292 -5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.125 11.572 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.907 10.873 -3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.367 9.698 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.900 9.270 -4.095 1.00 0.00 H new ATOM 1199 N LYS A 78 -2.098 7.019 -7.736 1.00 0.00 N ATOM 1200 CA LYS A 78 -2.941 5.896 -8.248 1.00 0.00 C ATOM 1201 C LYS A 78 -2.123 4.578 -8.310 1.00 0.00 C ATOM 1202 O LYS A 78 -2.636 3.503 -7.980 1.00 0.00 O ATOM 1203 CB LYS A 78 -3.548 6.227 -9.645 1.00 0.00 C ATOM 1204 CG LYS A 78 -2.509 6.503 -10.756 1.00 0.00 C ATOM 1205 CD LYS A 78 -3.156 6.893 -12.101 1.00 0.00 C ATOM 1206 CE LYS A 78 -2.116 7.233 -13.180 1.00 0.00 C ATOM 1207 NZ LYS A 78 -2.764 7.658 -14.448 1.00 0.00 N ATOM 0 H LYS A 78 -1.756 7.647 -8.463 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.767 5.761 -7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.180 5.395 -9.957 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.194 7.099 -9.547 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.844 7.304 -10.433 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.893 5.615 -10.899 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.782 6.072 -12.451 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.811 7.751 -11.950 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.463 8.028 -12.820 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.486 6.363 -13.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.040 8.008 -15.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.258 6.848 -14.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.448 8.416 -14.251 1.00 0.00 H new ATOM 1221 N ASN A 79 -0.848 4.696 -8.736 1.00 0.00 N ATOM 1222 CA ASN A 79 0.116 3.571 -8.791 1.00 0.00 C ATOM 1223 C ASN A 79 0.437 3.100 -7.369 1.00 0.00 C ATOM 1224 O ASN A 79 0.388 1.914 -7.080 1.00 0.00 O ATOM 1225 CB ASN A 79 1.427 3.990 -9.518 1.00 0.00 C ATOM 1226 CG ASN A 79 1.213 4.280 -11.001 1.00 0.00 C ATOM 1227 OD1 ASN A 79 0.805 5.377 -11.379 1.00 0.00 O ATOM 1228 ND2 ASN A 79 1.492 3.304 -11.855 1.00 0.00 N ATOM 0 H ASN A 79 -0.453 5.581 -9.055 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.338 2.756 -9.355 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.838 4.876 -9.035 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.166 3.196 -9.410 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.370 3.452 -12.857 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.829 2.405 -11.510 1.00 0.00 H new ATOM 1235 N LEU A 80 0.749 4.080 -6.497 1.00 0.00 N ATOM 1236 CA LEU A 80 0.979 3.892 -5.059 1.00 0.00 C ATOM 1237 C LEU A 80 -0.204 3.156 -4.417 1.00 0.00 C ATOM 1238 O LEU A 80 -0.001 2.152 -3.746 1.00 0.00 O ATOM 1239 CB LEU A 80 1.188 5.271 -4.368 1.00 0.00 C ATOM 1240 CG LEU A 80 1.279 5.270 -2.804 1.00 0.00 C ATOM 1241 CD1 LEU A 80 2.493 4.456 -2.282 1.00 0.00 C ATOM 1242 CD2 LEU A 80 1.279 6.714 -2.254 1.00 0.00 C ATOM 0 H LEU A 80 0.850 5.052 -6.788 1.00 0.00 H new ATOM 0 HA LEU A 80 1.877 3.288 -4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.103 5.713 -4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.367 5.926 -4.660 1.00 0.00 H new ATOM 0 HG LEU A 80 0.389 4.765 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.510 4.487 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.407 3.421 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.415 4.887 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.343 6.689 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.135 7.256 -2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.359 7.217 -2.552 1.00 0.00 H new ATOM 1254 N ALA A 81 -1.435 3.641 -4.683 1.00 0.00 N ATOM 1255 CA ALA A 81 -2.672 3.030 -4.162 1.00 0.00 C ATOM 1256 C ALA A 81 -2.806 1.572 -4.636 1.00 0.00 C ATOM 1257 O ALA A 81 -3.200 0.701 -3.867 1.00 0.00 O ATOM 1258 CB ALA A 81 -3.906 3.848 -4.579 1.00 0.00 C ATOM 0 H ALA A 81 -1.597 4.464 -5.263 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.613 3.031 -3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.806 3.377 -4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.822 4.860 -4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.966 3.887 -5.667 1.00 0.00 H new ATOM 1264 N ALA A 82 -2.424 1.314 -5.896 1.00 0.00 N ATOM 1265 CA ALA A 82 -2.464 -0.032 -6.482 1.00 0.00 C ATOM 1266 C ALA A 82 -1.410 -0.956 -5.828 1.00 0.00 C ATOM 1267 O ALA A 82 -1.680 -2.127 -5.595 1.00 0.00 O ATOM 1268 CB ALA A 82 -2.264 0.050 -8.003 1.00 0.00 C ATOM 0 H ALA A 82 -2.080 2.031 -6.535 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.444 -0.467 -6.286 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.295 -0.953 -8.429 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.057 0.655 -8.442 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.298 0.506 -8.219 1.00 0.00 H new ATOM 1274 N ARG A 83 -0.220 -0.399 -5.508 1.00 0.00 N ATOM 1275 CA ARG A 83 0.885 -1.153 -4.862 1.00 0.00 C ATOM 1276 C ARG A 83 0.518 -1.520 -3.406 1.00 0.00 C ATOM 1277 O ARG A 83 0.831 -2.615 -2.938 1.00 0.00 O ATOM 1278 CB ARG A 83 2.212 -0.337 -4.894 1.00 0.00 C ATOM 1279 CG ARG A 83 2.755 0.012 -6.308 1.00 0.00 C ATOM 1280 CD ARG A 83 3.286 -1.197 -7.114 1.00 0.00 C ATOM 1281 NE ARG A 83 2.232 -2.110 -7.610 1.00 0.00 N ATOM 1282 CZ ARG A 83 2.467 -3.304 -8.197 1.00 0.00 C ATOM 1283 NH1 ARG A 83 3.684 -3.802 -8.278 1.00 0.00 N ATOM 1284 NH2 ARG A 83 1.470 -4.015 -8.678 1.00 0.00 N ATOM 0 H ARG A 83 0.003 0.580 -5.688 1.00 0.00 H new ATOM 0 HA ARG A 83 1.035 -2.073 -5.426 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.059 0.592 -4.344 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.977 -0.901 -4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.960 0.491 -6.879 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.557 0.742 -6.204 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.860 -0.828 -7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.974 -1.763 -6.486 1.00 0.00 H new ATOM 0 HE ARG A 83 1.261 -1.818 -7.501 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.474 -3.284 -7.893 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.837 -4.706 -8.726 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.514 -3.665 -8.609 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.653 -4.916 -9.120 1.00 0.00 H new ATOM 1298 N ILE A 84 -0.157 -0.588 -2.712 1.00 0.00 N ATOM 1299 CA ILE A 84 -0.673 -0.795 -1.341 1.00 0.00 C ATOM 1300 C ILE A 84 -1.779 -1.866 -1.360 1.00 0.00 C ATOM 1301 O ILE A 84 -1.833 -2.735 -0.490 1.00 0.00 O ATOM 1302 CB ILE A 84 -1.227 0.559 -0.738 1.00 0.00 C ATOM 1303 CG1 ILE A 84 -0.095 1.637 -0.714 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -1.842 0.362 0.677 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -0.520 3.034 -0.308 1.00 0.00 C ATOM 0 H ILE A 84 -0.363 0.338 -3.086 1.00 0.00 H new ATOM 0 HA ILE A 84 0.145 -1.136 -0.707 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.033 0.907 -1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.685 1.302 -0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.352 1.688 -1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.209 1.318 1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.668 -0.346 0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.080 -0.024 1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.345 3.697 -0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.274 3.402 -1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.937 3.009 0.699 1.00 0.00 H new ATOM 1317 N ASP A 85 -2.631 -1.796 -2.398 1.00 0.00 N ATOM 1318 CA ASP A 85 -3.714 -2.768 -2.645 1.00 0.00 C ATOM 1319 C ASP A 85 -3.129 -4.183 -2.887 1.00 0.00 C ATOM 1320 O ASP A 85 -3.710 -5.188 -2.453 1.00 0.00 O ATOM 1321 CB ASP A 85 -4.564 -2.284 -3.857 1.00 0.00 C ATOM 1322 CG ASP A 85 -5.774 -3.175 -4.193 1.00 0.00 C ATOM 1323 OD1 ASP A 85 -6.852 -3.004 -3.581 1.00 0.00 O ATOM 1324 OD2 ASP A 85 -5.662 -4.044 -5.083 1.00 0.00 O ATOM 0 H ASP A 85 -2.588 -1.055 -3.098 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.360 -2.832 -1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.920 -1.274 -3.653 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.920 -2.224 -4.734 1.00 0.00 H new ATOM 1329 N GLU A 86 -1.948 -4.231 -3.547 1.00 0.00 N ATOM 1330 CA GLU A 86 -1.179 -5.474 -3.768 1.00 0.00 C ATOM 1331 C GLU A 86 -0.667 -6.051 -2.435 1.00 0.00 C ATOM 1332 O GLU A 86 -0.648 -7.269 -2.260 1.00 0.00 O ATOM 1333 CB GLU A 86 0.023 -5.220 -4.718 1.00 0.00 C ATOM 1334 CG GLU A 86 -0.343 -4.879 -6.172 1.00 0.00 C ATOM 1335 CD GLU A 86 -1.018 -6.031 -6.931 1.00 0.00 C ATOM 1336 OE1 GLU A 86 -0.338 -7.041 -7.198 1.00 0.00 O ATOM 1337 OE2 GLU A 86 -2.218 -5.938 -7.262 1.00 0.00 O ATOM 0 H GLU A 86 -1.502 -3.403 -3.942 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.851 -6.196 -4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.619 -4.403 -4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.656 -6.107 -4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.008 -4.016 -6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.562 -4.587 -6.705 1.00 0.00 H new ATOM 1344 N LEU A 87 -0.246 -5.169 -1.510 1.00 0.00 N ATOM 1345 CA LEU A 87 0.271 -5.578 -0.185 1.00 0.00 C ATOM 1346 C LEU A 87 -0.864 -6.039 0.751 1.00 0.00 C ATOM 1347 O LEU A 87 -0.642 -6.865 1.650 1.00 0.00 O ATOM 1348 CB LEU A 87 1.069 -4.425 0.462 1.00 0.00 C ATOM 1349 CG LEU A 87 2.284 -3.897 -0.360 1.00 0.00 C ATOM 1350 CD1 LEU A 87 2.964 -2.729 0.365 1.00 0.00 C ATOM 1351 CD2 LEU A 87 3.294 -5.021 -0.698 1.00 0.00 C ATOM 0 H LEU A 87 -0.253 -4.159 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 87 0.938 -6.427 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.388 -3.594 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.430 -4.759 1.435 1.00 0.00 H new ATOM 0 HG LEU A 87 1.899 -3.528 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.809 -2.376 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.249 -1.917 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.318 -3.063 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.123 -4.605 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.674 -5.458 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.797 -5.792 -1.287 1.00 0.00 H new ATOM 1363 N VAL A 88 -2.078 -5.498 0.531 1.00 0.00 N ATOM 1364 CA VAL A 88 -3.300 -5.949 1.228 1.00 0.00 C ATOM 1365 C VAL A 88 -3.672 -7.364 0.741 1.00 0.00 C ATOM 1366 O VAL A 88 -4.022 -8.231 1.543 1.00 0.00 O ATOM 1367 CB VAL A 88 -4.499 -4.938 1.031 1.00 0.00 C ATOM 1368 CG1 VAL A 88 -5.807 -5.473 1.671 1.00 0.00 C ATOM 1369 CG2 VAL A 88 -4.140 -3.535 1.599 1.00 0.00 C ATOM 0 H VAL A 88 -2.240 -4.740 -0.132 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.097 -5.981 2.299 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.673 -4.840 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.609 -4.752 1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.077 -6.422 1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.655 -5.622 2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.981 -2.857 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.923 -3.618 2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.264 -3.145 1.080 1.00 0.00 H new ATOM 1379 N ALA A 89 -3.521 -7.597 -0.578 1.00 0.00 N ATOM 1380 CA ALA A 89 -3.729 -8.923 -1.198 1.00 0.00 C ATOM 1381 C ALA A 89 -2.632 -9.911 -0.736 1.00 0.00 C ATOM 1382 O ALA A 89 -2.887 -11.102 -0.566 1.00 0.00 O ATOM 1383 CB ALA A 89 -3.741 -8.800 -2.729 1.00 0.00 C ATOM 0 H ALA A 89 -3.252 -6.873 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.696 -9.311 -0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.895 -9.784 -3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.548 -8.134 -3.034 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.788 -8.394 -3.069 1.00 0.00 H new ATOM 1389 N ALA A 90 -1.414 -9.374 -0.529 1.00 0.00 N ATOM 1390 CA ALA A 90 -0.258 -10.134 -0.015 1.00 0.00 C ATOM 1391 C ALA A 90 -0.406 -10.471 1.483 1.00 0.00 C ATOM 1392 O ALA A 90 0.282 -11.367 1.987 1.00 0.00 O ATOM 1393 CB ALA A 90 1.050 -9.355 -0.264 1.00 0.00 C ATOM 0 H ALA A 90 -1.203 -8.394 -0.715 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.221 -11.078 -0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.894 -9.928 0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.179 -9.193 -1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.003 -8.393 0.245 1.00 0.00 H new