USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=16 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 78 LYS NZ :NH3+ 166:sc= 0.69 (180deg=-0.294) USER MOD Set 1.2: A 79 ASN : amide:sc= 0.427 K(o=1.1,f=-7.4!) USER MOD Single : A 4 THR OG1 : rot 23:sc= 0.174 USER MOD Single : A 10 THR OG1 : rot 77:sc= 0.658 USER MOD Single : A 15 THR OG1 : rot 74:sc= 1.14 USER MOD Single : A 16 CYS SG : rot 180:sc= -0.709 USER MOD Single : A 22 THR OG1 : rot -17:sc= 1.07 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 27 SER OG : rot 107:sc= 0.157 USER MOD Single : A 28 HIS : no HD1:sc= -2.24 K(o=-2.2,f=-10!) USER MOD Single : A 37 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 49 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000411) 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 67:sc= 1.17 USER MOD Single : A 62 GLN : amide:sc= -0.0892 X(o=-0.089,f=-0.089) USER MOD Single : A 65 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.43) USER MOD Single : A 68 LYS NZ :NH3+ 137:sc= -0.68 (180deg=-2.52!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc=-0.00728 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.748 F(o=-2.3!,f=-0.75) USER MOD Single : A 74 TYR OH : rot 166:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 -8.910 2.500 -1.291 1.00 0.00 N ATOM 46 CA THR A 4 -7.498 2.668 -0.950 1.00 0.00 C ATOM 47 C THR A 4 -7.051 4.126 -1.140 1.00 0.00 C ATOM 48 O THR A 4 -6.518 4.717 -0.213 1.00 0.00 O ATOM 49 CB THR A 4 -6.603 1.697 -1.786 1.00 0.00 C ATOM 50 OG1 THR A 4 -7.119 0.358 -1.662 1.00 0.00 O ATOM 51 CG2 THR A 4 -5.133 1.720 -1.324 1.00 0.00 C ATOM 0 HA THR A 4 -7.377 2.417 0.104 1.00 0.00 H new ATOM 0 HB THR A 4 -6.629 2.028 -2.824 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.068 0.394 -1.421 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.549 1.030 -1.933 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.733 2.728 -1.433 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.076 1.418 -0.278 1.00 0.00 H new ATOM 59 N PHE A 5 -7.322 4.713 -2.325 1.00 0.00 N ATOM 60 CA PHE A 5 -6.930 6.112 -2.629 1.00 0.00 C ATOM 61 C PHE A 5 -7.751 7.118 -1.783 1.00 0.00 C ATOM 62 O PHE A 5 -7.276 8.215 -1.508 1.00 0.00 O ATOM 63 CB PHE A 5 -7.058 6.416 -4.150 1.00 0.00 C ATOM 64 CG PHE A 5 -6.670 7.850 -4.538 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.348 8.289 -4.418 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.625 8.766 -4.996 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.004 9.589 -4.736 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.273 10.062 -5.317 1.00 0.00 C ATOM 69 CZ PHE A 5 -5.963 10.474 -5.187 1.00 0.00 C ATOM 0 H PHE A 5 -7.810 4.243 -3.088 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.881 6.229 -2.358 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.429 5.719 -4.703 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.087 6.233 -4.461 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.587 7.604 -4.073 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.654 8.454 -5.100 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.980 9.915 -4.631 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.024 10.753 -5.670 1.00 0.00 H new ATOM 0 HZ PHE A 5 -5.688 11.488 -5.438 1.00 0.00 H new ATOM 79 N ASP A 6 -8.981 6.728 -1.380 1.00 0.00 N ATOM 80 CA ASP A 6 -9.779 7.491 -0.381 1.00 0.00 C ATOM 81 C ASP A 6 -8.990 7.639 0.920 1.00 0.00 C ATOM 82 O ASP A 6 -8.842 8.745 1.450 1.00 0.00 O ATOM 83 CB ASP A 6 -11.133 6.791 -0.081 1.00 0.00 C ATOM 84 CG ASP A 6 -12.189 7.051 -1.158 1.00 0.00 C ATOM 85 OD1 ASP A 6 -12.155 6.386 -2.215 1.00 0.00 O ATOM 86 OD2 ASP A 6 -13.052 7.933 -0.957 1.00 0.00 O ATOM 0 H ASP A 6 -9.447 5.890 -1.728 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.984 8.474 -0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.969 5.717 0.008 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.510 7.137 0.881 1.00 0.00 H new ATOM 91 N ARG A 7 -8.469 6.491 1.395 1.00 0.00 N ATOM 92 CA ARG A 7 -7.671 6.410 2.627 1.00 0.00 C ATOM 93 C ARG A 7 -6.368 7.207 2.489 1.00 0.00 C ATOM 94 O ARG A 7 -6.064 8.007 3.349 1.00 0.00 O ATOM 95 CB ARG A 7 -7.359 4.933 3.004 1.00 0.00 C ATOM 96 CG ARG A 7 -8.542 4.145 3.601 1.00 0.00 C ATOM 97 CD ARG A 7 -9.008 4.744 4.944 1.00 0.00 C ATOM 98 NE ARG A 7 -10.048 3.929 5.604 1.00 0.00 N ATOM 99 CZ ARG A 7 -10.090 3.639 6.919 1.00 0.00 C ATOM 100 NH1 ARG A 7 -9.085 3.990 7.724 1.00 0.00 N ATOM 101 NH2 ARG A 7 -11.124 2.960 7.408 1.00 0.00 N ATOM 0 H ARG A 7 -8.592 5.591 0.930 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.265 6.848 3.429 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.010 4.413 2.112 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.538 4.923 3.721 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.372 4.145 2.895 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.249 3.105 3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.151 4.840 5.611 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.394 5.749 4.774 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.794 3.556 5.017 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.276 4.482 7.345 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.126 3.766 8.718 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -11.878 2.663 6.789 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -11.163 2.737 8.402 1.00 0.00 H new ATOM 115 N VAL A 8 -5.639 6.990 1.381 1.00 0.00 N ATOM 116 CA VAL A 8 -4.319 7.609 1.132 1.00 0.00 C ATOM 117 C VAL A 8 -4.445 9.145 1.057 1.00 0.00 C ATOM 118 O VAL A 8 -3.648 9.865 1.650 1.00 0.00 O ATOM 119 CB VAL A 8 -3.656 7.035 -0.177 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.302 7.726 -0.487 1.00 0.00 C ATOM 121 CG2 VAL A 8 -3.459 5.497 -0.062 1.00 0.00 C ATOM 0 H VAL A 8 -5.948 6.377 0.626 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.667 7.359 1.969 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.335 7.245 -1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.877 7.302 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.462 8.795 -0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.614 7.567 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.000 5.120 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.812 5.275 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.426 5.016 0.083 1.00 0.00 H new ATOM 131 N ALA A 9 -5.485 9.622 0.347 1.00 0.00 N ATOM 132 CA ALA A 9 -5.781 11.065 0.205 1.00 0.00 C ATOM 133 C ALA A 9 -6.080 11.718 1.570 1.00 0.00 C ATOM 134 O ALA A 9 -5.563 12.799 1.881 1.00 0.00 O ATOM 135 CB ALA A 9 -6.957 11.271 -0.767 1.00 0.00 C ATOM 0 H ALA A 9 -6.145 9.020 -0.145 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.896 11.553 -0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.166 12.336 -0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.698 10.862 -1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.840 10.761 -0.383 1.00 0.00 H new ATOM 141 N THR A 10 -6.910 11.036 2.382 1.00 0.00 N ATOM 142 CA THR A 10 -7.224 11.464 3.760 1.00 0.00 C ATOM 143 C THR A 10 -5.939 11.508 4.621 1.00 0.00 C ATOM 144 O THR A 10 -5.699 12.478 5.328 1.00 0.00 O ATOM 145 CB THR A 10 -8.286 10.522 4.426 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.463 10.474 3.612 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.685 10.974 5.846 1.00 0.00 C ATOM 0 H THR A 10 -7.381 10.175 2.103 1.00 0.00 H new ATOM 0 HA THR A 10 -7.649 12.466 3.704 1.00 0.00 H new ATOM 0 HB THR A 10 -7.825 9.538 4.509 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.305 9.888 2.843 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.422 10.283 6.254 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.803 10.983 6.486 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.112 11.976 5.802 1.00 0.00 H new ATOM 155 N ILE A 11 -5.111 10.461 4.496 1.00 0.00 N ATOM 156 CA ILE A 11 -3.840 10.306 5.235 1.00 0.00 C ATOM 157 C ILE A 11 -2.865 11.454 4.944 1.00 0.00 C ATOM 158 O ILE A 11 -2.314 12.030 5.874 1.00 0.00 O ATOM 159 CB ILE A 11 -3.180 8.901 4.922 1.00 0.00 C ATOM 160 CG1 ILE A 11 -3.988 7.768 5.638 1.00 0.00 C ATOM 161 CG2 ILE A 11 -1.676 8.839 5.296 1.00 0.00 C ATOM 162 CD1 ILE A 11 -3.592 6.349 5.278 1.00 0.00 C ATOM 0 H ILE A 11 -5.305 9.681 3.868 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.071 10.347 6.299 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.224 8.753 3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.878 7.894 6.715 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.045 7.900 5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.282 7.851 5.057 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.129 9.594 4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.558 9.029 6.363 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.215 5.646 5.831 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.730 6.193 4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.545 6.187 5.536 1.00 0.00 H new ATOM 174 N ILE A 12 -2.689 11.802 3.661 1.00 0.00 N ATOM 175 CA ILE A 12 -1.760 12.869 3.241 1.00 0.00 C ATOM 176 C ILE A 12 -2.258 14.237 3.757 1.00 0.00 C ATOM 177 O ILE A 12 -1.467 15.077 4.224 1.00 0.00 O ATOM 178 CB ILE A 12 -1.599 12.881 1.672 1.00 0.00 C ATOM 179 CG1 ILE A 12 -0.997 11.531 1.170 1.00 0.00 C ATOM 180 CG2 ILE A 12 -0.745 14.076 1.183 1.00 0.00 C ATOM 181 CD1 ILE A 12 -0.903 11.399 -0.344 1.00 0.00 C ATOM 0 H ILE A 12 -3.182 11.357 2.887 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.780 12.673 3.675 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.595 13.001 1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.000 11.414 1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.605 10.712 1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.661 14.043 0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.221 15.010 1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.249 14.018 1.625 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.473 10.430 -0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.899 11.480 -0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.269 12.192 -0.740 1.00 0.00 H new ATOM 193 N ALA A 13 -3.583 14.427 3.671 1.00 0.00 N ATOM 194 CA ALA A 13 -4.278 15.605 4.216 1.00 0.00 C ATOM 195 C ALA A 13 -4.058 15.769 5.738 1.00 0.00 C ATOM 196 O ALA A 13 -3.862 16.885 6.219 1.00 0.00 O ATOM 197 CB ALA A 13 -5.779 15.523 3.890 1.00 0.00 C ATOM 0 H ALA A 13 -4.209 13.762 3.217 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.851 16.488 3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.288 16.397 4.296 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.915 15.493 2.809 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.199 14.620 4.334 1.00 0.00 H new ATOM 203 N GLU A 14 -4.106 14.652 6.486 1.00 0.00 N ATOM 204 CA GLU A 14 -3.953 14.656 7.959 1.00 0.00 C ATOM 205 C GLU A 14 -2.474 14.647 8.403 1.00 0.00 C ATOM 206 O GLU A 14 -2.173 15.037 9.541 1.00 0.00 O ATOM 207 CB GLU A 14 -4.721 13.454 8.579 1.00 0.00 C ATOM 208 CG GLU A 14 -6.239 13.438 8.286 1.00 0.00 C ATOM 209 CD GLU A 14 -6.961 14.750 8.652 1.00 0.00 C ATOM 210 OE1 GLU A 14 -7.143 15.024 9.859 1.00 0.00 O ATOM 211 OE2 GLU A 14 -7.349 15.515 7.742 1.00 0.00 O ATOM 0 H GLU A 14 -4.251 13.723 6.092 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.383 15.588 8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.283 12.529 8.206 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.573 13.464 9.659 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.392 13.234 7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.697 12.617 8.838 1.00 0.00 H new ATOM 218 N THR A 15 -1.561 14.183 7.529 1.00 0.00 N ATOM 219 CA THR A 15 -0.114 14.135 7.835 1.00 0.00 C ATOM 220 C THR A 15 0.555 15.508 7.602 1.00 0.00 C ATOM 221 O THR A 15 1.071 16.117 8.542 1.00 0.00 O ATOM 222 CB THR A 15 0.629 13.032 6.997 1.00 0.00 C ATOM 223 OG1 THR A 15 0.055 11.739 7.263 1.00 0.00 O ATOM 224 CG2 THR A 15 2.134 12.973 7.304 1.00 0.00 C ATOM 0 H THR A 15 -1.799 13.834 6.601 1.00 0.00 H new ATOM 0 HA THR A 15 -0.029 13.875 8.890 1.00 0.00 H new ATOM 0 HB THR A 15 0.506 13.301 5.948 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.814 11.668 6.815 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.599 12.195 6.698 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.591 13.935 7.071 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.281 12.747 8.360 1.00 0.00 H new ATOM 232 N CYS A 16 0.530 15.998 6.343 1.00 0.00 N ATOM 233 CA CYS A 16 1.301 17.195 5.925 1.00 0.00 C ATOM 234 C CYS A 16 0.379 18.413 5.677 1.00 0.00 C ATOM 235 O CYS A 16 0.810 19.412 5.079 1.00 0.00 O ATOM 236 CB CYS A 16 2.105 16.851 4.647 1.00 0.00 C ATOM 237 SG CYS A 16 3.213 15.435 4.825 1.00 0.00 S ATOM 0 H CYS A 16 -0.020 15.581 5.592 1.00 0.00 H new ATOM 0 HA CYS A 16 1.982 17.471 6.730 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.406 16.651 3.835 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.692 17.722 4.355 1.00 0.00 H new ATOM 0 HG CYS A 16 3.836 15.228 3.703 1.00 0.00 H new ATOM 243 N ASP A 17 -0.874 18.323 6.182 1.00 0.00 N ATOM 244 CA ASP A 17 -1.926 19.367 6.037 1.00 0.00 C ATOM 245 C ASP A 17 -2.126 19.797 4.558 1.00 0.00 C ATOM 246 O ASP A 17 -2.013 20.971 4.208 1.00 0.00 O ATOM 247 CB ASP A 17 -1.629 20.574 6.992 1.00 0.00 C ATOM 248 CG ASP A 17 -2.792 21.584 7.109 1.00 0.00 C ATOM 249 OD1 ASP A 17 -3.859 21.217 7.655 1.00 0.00 O ATOM 250 OD2 ASP A 17 -2.641 22.753 6.676 1.00 0.00 O ATOM 0 H ASP A 17 -1.191 17.511 6.711 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.880 18.937 6.342 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.394 20.189 7.985 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.742 21.097 6.635 1.00 0.00 H new ATOM 255 N ILE A 18 -2.407 18.806 3.693 1.00 0.00 N ATOM 256 CA ILE A 18 -2.584 19.012 2.231 1.00 0.00 C ATOM 257 C ILE A 18 -4.101 19.038 1.889 1.00 0.00 C ATOM 258 O ILE A 18 -4.851 18.231 2.442 1.00 0.00 O ATOM 259 CB ILE A 18 -1.876 17.859 1.409 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.375 17.703 1.822 1.00 0.00 C ATOM 261 CG2 ILE A 18 -2.000 18.082 -0.125 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.524 18.872 1.452 1.00 0.00 C ATOM 0 H ILE A 18 -2.519 17.834 3.982 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.126 19.963 1.958 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.395 16.932 1.653 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.325 17.555 2.901 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.021 16.800 1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.501 17.269 -0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.053 18.104 -0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.533 19.029 -0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.543 18.666 1.781 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.513 19.011 0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.162 19.778 1.938 1.00 0.00 H new ATOM 274 N PRO A 19 -4.588 19.983 1.014 1.00 0.00 N ATOM 275 CA PRO A 19 -5.971 19.920 0.469 1.00 0.00 C ATOM 276 C PRO A 19 -6.209 18.612 -0.318 1.00 0.00 C ATOM 277 O PRO A 19 -5.504 18.335 -1.290 1.00 0.00 O ATOM 278 CB PRO A 19 -6.065 21.174 -0.451 1.00 0.00 C ATOM 279 CG PRO A 19 -4.993 22.098 0.052 1.00 0.00 C ATOM 280 CD PRO A 19 -3.871 21.194 0.527 1.00 0.00 C ATOM 0 HA PRO A 19 -6.732 19.919 1.249 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.903 20.911 -1.496 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.049 21.638 -0.388 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.650 22.768 -0.736 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.363 22.724 0.864 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.179 20.954 -0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.287 21.661 1.320 1.00 0.00 H new ATOM 288 N ARG A 20 -7.193 17.802 0.126 1.00 0.00 N ATOM 289 CA ARG A 20 -7.525 16.514 -0.517 1.00 0.00 C ATOM 290 C ARG A 20 -8.005 16.701 -1.977 1.00 0.00 C ATOM 291 O ARG A 20 -7.824 15.815 -2.816 1.00 0.00 O ATOM 292 CB ARG A 20 -8.567 15.729 0.331 1.00 0.00 C ATOM 293 CG ARG A 20 -8.998 14.386 -0.295 1.00 0.00 C ATOM 294 CD ARG A 20 -9.917 13.545 0.598 1.00 0.00 C ATOM 295 NE ARG A 20 -10.478 12.397 -0.141 1.00 0.00 N ATOM 296 CZ ARG A 20 -11.159 11.370 0.390 1.00 0.00 C ATOM 297 NH1 ARG A 20 -11.332 11.248 1.698 1.00 0.00 N ATOM 298 NH2 ARG A 20 -11.668 10.455 -0.410 1.00 0.00 N ATOM 0 H ARG A 20 -7.776 18.020 0.934 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.610 15.923 -0.562 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.148 15.540 1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.450 16.353 0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.508 14.584 -1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.107 13.805 -0.530 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.359 13.186 1.463 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.727 14.167 0.978 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.334 12.383 -1.151 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.943 11.946 2.331 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.855 10.456 2.072 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.542 10.533 -1.419 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.188 9.669 -0.020 1.00 0.00 H new ATOM 312 N GLU A 21 -8.566 17.878 -2.274 1.00 0.00 N ATOM 313 CA GLU A 21 -9.042 18.228 -3.633 1.00 0.00 C ATOM 314 C GLU A 21 -7.866 18.340 -4.632 1.00 0.00 C ATOM 315 O GLU A 21 -8.030 18.088 -5.834 1.00 0.00 O ATOM 316 CB GLU A 21 -9.834 19.564 -3.598 1.00 0.00 C ATOM 317 CG GLU A 21 -9.003 20.795 -3.166 1.00 0.00 C ATOM 318 CD GLU A 21 -9.775 22.120 -3.260 1.00 0.00 C ATOM 319 OE1 GLU A 21 -9.968 22.627 -4.392 1.00 0.00 O ATOM 320 OE2 GLU A 21 -10.205 22.658 -2.218 1.00 0.00 O ATOM 0 H GLU A 21 -8.706 18.619 -1.587 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.700 17.427 -3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.248 19.751 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.677 19.454 -2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.665 20.653 -2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.111 20.858 -3.790 1.00 0.00 H new ATOM 327 N THR A 22 -6.686 18.740 -4.114 1.00 0.00 N ATOM 328 CA THR A 22 -5.467 18.908 -4.924 1.00 0.00 C ATOM 329 C THR A 22 -4.614 17.621 -4.915 1.00 0.00 C ATOM 330 O THR A 22 -3.574 17.557 -5.584 1.00 0.00 O ATOM 331 CB THR A 22 -4.620 20.123 -4.415 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.204 19.916 -3.057 1.00 0.00 O ATOM 333 CG2 THR A 22 -5.405 21.442 -4.481 1.00 0.00 C ATOM 0 H THR A 22 -6.554 18.954 -3.126 1.00 0.00 H new ATOM 0 HA THR A 22 -5.777 19.108 -5.950 1.00 0.00 H new ATOM 0 HB THR A 22 -3.753 20.193 -5.073 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.752 19.212 -2.651 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.778 22.257 -4.118 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.697 21.640 -5.512 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.297 21.366 -3.859 1.00 0.00 H new ATOM 341 N ILE A 23 -5.056 16.602 -4.151 1.00 0.00 N ATOM 342 CA ILE A 23 -4.444 15.266 -4.147 1.00 0.00 C ATOM 343 C ILE A 23 -5.070 14.458 -5.308 1.00 0.00 C ATOM 344 O ILE A 23 -6.163 13.906 -5.173 1.00 0.00 O ATOM 345 CB ILE A 23 -4.684 14.554 -2.753 1.00 0.00 C ATOM 346 CG1 ILE A 23 -4.005 15.367 -1.603 1.00 0.00 C ATOM 347 CG2 ILE A 23 -4.200 13.085 -2.748 1.00 0.00 C ATOM 348 CD1 ILE A 23 -4.267 14.832 -0.197 1.00 0.00 C ATOM 0 H ILE A 23 -5.851 16.687 -3.518 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.365 15.336 -4.288 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.760 14.530 -2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.929 15.383 -1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.351 16.399 -1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.388 12.643 -1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.739 12.522 -3.510 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.132 13.053 -2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.756 15.460 0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.339 14.843 0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.894 13.811 -0.121 1.00 0.00 H new ATOM 360 N THR A 24 -4.402 14.466 -6.462 1.00 0.00 N ATOM 361 CA THR A 24 -4.873 13.795 -7.689 1.00 0.00 C ATOM 362 C THR A 24 -4.255 12.379 -7.802 1.00 0.00 C ATOM 363 O THR A 24 -3.183 12.134 -7.245 1.00 0.00 O ATOM 364 CB THR A 24 -4.517 14.675 -8.941 1.00 0.00 C ATOM 365 OG1 THR A 24 -3.125 15.015 -8.921 1.00 0.00 O ATOM 366 CG2 THR A 24 -5.352 15.971 -8.985 1.00 0.00 C ATOM 0 H THR A 24 -3.508 14.942 -6.579 1.00 0.00 H new ATOM 0 HA THR A 24 -5.956 13.680 -7.645 1.00 0.00 H new ATOM 0 HB THR A 24 -4.748 14.087 -9.829 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.911 15.562 -9.705 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.076 16.552 -9.865 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.412 15.720 -9.033 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.159 16.559 -8.088 1.00 0.00 H new ATOM 374 N PRO A 25 -4.935 11.399 -8.493 1.00 0.00 N ATOM 375 CA PRO A 25 -4.426 10.009 -8.618 1.00 0.00 C ATOM 376 C PRO A 25 -3.062 9.944 -9.335 1.00 0.00 C ATOM 377 O PRO A 25 -2.169 9.198 -8.925 1.00 0.00 O ATOM 378 CB PRO A 25 -5.537 9.287 -9.432 1.00 0.00 C ATOM 379 CG PRO A 25 -6.263 10.389 -10.142 1.00 0.00 C ATOM 380 CD PRO A 25 -6.248 11.553 -9.182 1.00 0.00 C ATOM 0 HA PRO A 25 -4.241 9.548 -7.648 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.111 8.574 -10.138 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.207 8.728 -8.779 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.770 10.645 -11.080 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.283 10.094 -10.388 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.321 12.508 -9.703 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.080 11.508 -8.480 1.00 0.00 H new ATOM 388 N GLU A 26 -2.884 10.804 -10.357 1.00 0.00 N ATOM 389 CA GLU A 26 -1.676 10.809 -11.206 1.00 0.00 C ATOM 390 C GLU A 26 -0.551 11.671 -10.582 1.00 0.00 C ATOM 391 O GLU A 26 0.500 11.864 -11.204 1.00 0.00 O ATOM 392 CB GLU A 26 -2.034 11.327 -12.620 1.00 0.00 C ATOM 393 CG GLU A 26 -3.075 10.479 -13.381 1.00 0.00 C ATOM 394 CD GLU A 26 -3.334 11.011 -14.798 1.00 0.00 C ATOM 395 OE1 GLU A 26 -2.517 10.727 -15.703 1.00 0.00 O ATOM 396 OE2 GLU A 26 -4.330 11.735 -15.006 1.00 0.00 O ATOM 0 H GLU A 26 -3.571 11.512 -10.617 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.304 9.787 -11.280 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.411 12.346 -12.533 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.122 11.375 -13.215 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.727 9.448 -13.440 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.011 10.469 -12.822 1.00 0.00 H new ATOM 403 N SER A 27 -0.763 12.135 -9.336 1.00 0.00 N ATOM 404 CA SER A 27 0.162 13.040 -8.642 1.00 0.00 C ATOM 405 C SER A 27 1.359 12.259 -8.113 1.00 0.00 C ATOM 406 O SER A 27 1.203 11.151 -7.609 1.00 0.00 O ATOM 407 CB SER A 27 -0.552 13.748 -7.474 1.00 0.00 C ATOM 408 OG SER A 27 0.353 14.454 -6.645 1.00 0.00 O ATOM 0 H SER A 27 -1.585 11.890 -8.784 1.00 0.00 H new ATOM 0 HA SER A 27 0.508 13.791 -9.352 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.295 14.440 -7.870 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.089 13.010 -6.878 1.00 0.00 H new ATOM 0 HG SER A 27 0.250 15.417 -6.794 1.00 0.00 H new ATOM 414 N HIS A 28 2.546 12.847 -8.251 1.00 0.00 N ATOM 415 CA HIS A 28 3.766 12.330 -7.635 1.00 0.00 C ATOM 416 C HIS A 28 3.902 13.016 -6.272 1.00 0.00 C ATOM 417 O HIS A 28 3.897 14.249 -6.208 1.00 0.00 O ATOM 418 CB HIS A 28 4.976 12.643 -8.539 1.00 0.00 C ATOM 419 CG HIS A 28 6.243 11.912 -8.183 1.00 0.00 C ATOM 420 ND1 HIS A 28 7.112 12.376 -7.225 1.00 0.00 N ATOM 421 CD2 HIS A 28 6.764 10.796 -8.742 1.00 0.00 C ATOM 422 CE1 HIS A 28 8.134 11.536 -7.234 1.00 0.00 C ATOM 423 NE2 HIS A 28 7.968 10.564 -8.134 1.00 0.00 N ATOM 0 H HIS A 28 2.689 13.698 -8.795 1.00 0.00 H new ATOM 0 HA HIS A 28 3.725 11.248 -7.508 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.713 12.402 -9.569 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.170 13.715 -8.502 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.314 10.200 -9.522 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.997 11.626 -6.592 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.613 9.798 -8.330 1.00 0.00 H new ATOM 431 N ALA A 29 3.990 12.226 -5.189 1.00 0.00 N ATOM 432 CA ALA A 29 4.115 12.735 -3.809 1.00 0.00 C ATOM 433 C ALA A 29 5.229 13.788 -3.656 1.00 0.00 C ATOM 434 O ALA A 29 5.068 14.769 -2.933 1.00 0.00 O ATOM 435 CB ALA A 29 4.353 11.553 -2.849 1.00 0.00 C ATOM 0 H ALA A 29 3.976 11.208 -5.245 1.00 0.00 H new ATOM 0 HA ALA A 29 3.182 13.239 -3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.446 11.926 -1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.512 10.862 -2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.269 11.034 -3.131 1.00 0.00 H new ATOM 441 N ILE A 30 6.322 13.627 -4.418 1.00 0.00 N ATOM 442 CA ILE A 30 7.529 14.441 -4.237 1.00 0.00 C ATOM 443 C ILE A 30 7.538 15.609 -5.250 1.00 0.00 C ATOM 444 O ILE A 30 7.767 16.762 -4.865 1.00 0.00 O ATOM 445 CB ILE A 30 8.824 13.555 -4.385 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.746 12.299 -3.448 1.00 0.00 C ATOM 447 CG2 ILE A 30 10.106 14.373 -4.102 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.980 11.416 -3.458 1.00 0.00 C ATOM 0 H ILE A 30 6.392 12.938 -5.167 1.00 0.00 H new ATOM 0 HA ILE A 30 7.524 14.858 -3.230 1.00 0.00 H new ATOM 0 HB ILE A 30 8.874 13.212 -5.418 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.567 12.636 -2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.885 11.698 -3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.979 13.731 -4.213 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.172 15.201 -4.808 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.071 14.765 -3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.831 10.575 -2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.152 11.043 -4.468 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.844 11.995 -3.133 1.00 0.00 H new ATOM 460 N ASP A 31 7.263 15.307 -6.538 1.00 0.00 N ATOM 461 CA ASP A 31 7.277 16.324 -7.624 1.00 0.00 C ATOM 462 C ASP A 31 6.067 17.262 -7.522 1.00 0.00 C ATOM 463 O ASP A 31 6.220 18.494 -7.488 1.00 0.00 O ATOM 464 CB ASP A 31 7.305 15.671 -9.039 1.00 0.00 C ATOM 465 CG ASP A 31 8.620 14.934 -9.351 1.00 0.00 C ATOM 466 OD1 ASP A 31 9.692 15.561 -9.251 1.00 0.00 O ATOM 467 OD2 ASP A 31 8.590 13.732 -9.700 1.00 0.00 O ATOM 0 H ASP A 31 7.028 14.367 -6.856 1.00 0.00 H new ATOM 0 HA ASP A 31 8.193 16.901 -7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.476 14.968 -9.122 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.144 16.444 -9.790 1.00 0.00 H new ATOM 472 N ASP A 32 4.864 16.673 -7.479 1.00 0.00 N ATOM 473 CA ASP A 32 3.609 17.439 -7.521 1.00 0.00 C ATOM 474 C ASP A 32 3.277 18.007 -6.136 1.00 0.00 C ATOM 475 O ASP A 32 3.256 19.225 -5.952 1.00 0.00 O ATOM 476 CB ASP A 32 2.445 16.559 -8.046 1.00 0.00 C ATOM 477 CG ASP A 32 1.123 17.342 -8.166 1.00 0.00 C ATOM 478 OD1 ASP A 32 0.958 18.079 -9.154 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.256 17.256 -7.268 1.00 0.00 O ATOM 0 H ASP A 32 4.733 15.664 -7.415 1.00 0.00 H new ATOM 0 HA ASP A 32 3.741 18.273 -8.210 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.712 16.152 -9.021 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.303 15.712 -7.375 1.00 0.00 H new ATOM 484 N LEU A 33 3.049 17.108 -5.154 1.00 0.00 N ATOM 485 CA LEU A 33 2.596 17.500 -3.795 1.00 0.00 C ATOM 486 C LEU A 33 3.693 18.225 -2.990 1.00 0.00 C ATOM 487 O LEU A 33 3.380 18.904 -2.008 1.00 0.00 O ATOM 488 CB LEU A 33 2.100 16.272 -2.993 1.00 0.00 C ATOM 489 CG LEU A 33 0.840 15.539 -3.536 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.468 14.368 -2.608 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.353 16.510 -3.730 1.00 0.00 C ATOM 0 H LEU A 33 3.171 16.102 -5.275 1.00 0.00 H new ATOM 0 HA LEU A 33 1.770 18.196 -3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.915 15.550 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.892 16.595 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 33 1.080 15.138 -4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.415 13.862 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.298 13.664 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.257 14.749 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.213 15.959 -4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.609 16.967 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.077 17.288 -4.442 1.00 0.00 H new ATOM 503 N GLY A 34 4.963 18.075 -3.415 1.00 0.00 N ATOM 504 CA GLY A 34 6.101 18.693 -2.726 1.00 0.00 C ATOM 505 C GLY A 34 6.332 18.112 -1.331 1.00 0.00 C ATOM 506 O GLY A 34 6.489 18.847 -0.341 1.00 0.00 O ATOM 0 H GLY A 34 5.222 17.528 -4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.001 18.557 -3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.932 19.767 -2.645 1.00 0.00 H new ATOM 510 N ILE A 35 6.344 16.781 -1.273 1.00 0.00 N ATOM 511 CA ILE A 35 6.511 16.000 -0.038 1.00 0.00 C ATOM 512 C ILE A 35 7.787 15.160 -0.166 1.00 0.00 C ATOM 513 O ILE A 35 7.869 14.316 -1.055 1.00 0.00 O ATOM 514 CB ILE A 35 5.243 15.081 0.186 1.00 0.00 C ATOM 515 CG1 ILE A 35 3.977 15.969 0.443 1.00 0.00 C ATOM 516 CG2 ILE A 35 5.447 14.041 1.308 1.00 0.00 C ATOM 517 CD1 ILE A 35 2.675 15.204 0.596 1.00 0.00 C ATOM 0 H ILE A 35 6.235 16.197 -2.102 1.00 0.00 H new ATOM 0 HA ILE A 35 6.602 16.660 0.825 1.00 0.00 H new ATOM 0 HB ILE A 35 5.089 14.504 -0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.142 16.558 1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.872 16.673 -0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.544 13.440 1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.286 13.393 1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.655 14.555 2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.859 15.906 0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.478 14.636 -0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.752 14.520 1.441 1.00 0.00 H new ATOM 529 N ASP A 36 8.775 15.396 0.716 1.00 0.00 N ATOM 530 CA ASP A 36 10.065 14.680 0.678 1.00 0.00 C ATOM 531 C ASP A 36 9.916 13.283 1.291 1.00 0.00 C ATOM 532 O ASP A 36 8.867 12.946 1.845 1.00 0.00 O ATOM 533 CB ASP A 36 11.180 15.461 1.436 1.00 0.00 C ATOM 534 CG ASP A 36 11.511 16.820 0.803 1.00 0.00 C ATOM 535 OD1 ASP A 36 12.282 16.868 -0.184 1.00 0.00 O ATOM 536 OD2 ASP A 36 11.001 17.854 1.282 1.00 0.00 O ATOM 0 H ASP A 36 8.704 16.081 1.468 1.00 0.00 H new ATOM 0 HA ASP A 36 10.358 14.594 -0.368 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.867 15.616 2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.084 14.852 1.465 1.00 0.00 H new ATOM 541 N SER A 37 10.999 12.498 1.187 1.00 0.00 N ATOM 542 CA SER A 37 11.149 11.166 1.817 1.00 0.00 C ATOM 543 C SER A 37 10.754 11.195 3.308 1.00 0.00 C ATOM 544 O SER A 37 9.952 10.381 3.748 1.00 0.00 O ATOM 545 CB SER A 37 12.624 10.734 1.670 1.00 0.00 C ATOM 546 OG SER A 37 13.477 11.893 1.896 1.00 0.00 O ATOM 0 H SER A 37 11.820 12.775 0.649 1.00 0.00 H new ATOM 0 HA SER A 37 10.485 10.457 1.322 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.860 9.946 2.386 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.800 10.324 0.675 1.00 0.00 H new ATOM 0 HG SER A 37 14.417 11.630 1.807 1.00 0.00 H new ATOM 551 N LEU A 38 11.311 12.187 4.033 1.00 0.00 N ATOM 552 CA LEU A 38 11.113 12.382 5.490 1.00 0.00 C ATOM 553 C LEU A 38 9.619 12.509 5.855 1.00 0.00 C ATOM 554 O LEU A 38 9.164 11.918 6.835 1.00 0.00 O ATOM 555 CB LEU A 38 11.880 13.647 5.947 1.00 0.00 C ATOM 556 CG LEU A 38 13.418 13.625 5.689 1.00 0.00 C ATOM 557 CD1 LEU A 38 14.056 14.976 6.051 1.00 0.00 C ATOM 558 CD2 LEU A 38 14.101 12.459 6.451 1.00 0.00 C ATOM 0 H LEU A 38 11.923 12.889 3.617 1.00 0.00 H new ATOM 0 HA LEU A 38 11.501 11.504 6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.455 14.512 5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.709 13.789 7.014 1.00 0.00 H new ATOM 0 HG LEU A 38 13.574 13.456 4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.129 14.934 5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.611 15.763 5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.882 15.190 7.105 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.172 12.471 6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.931 12.575 7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.680 11.510 6.117 1.00 0.00 H new ATOM 570 N ASP A 39 8.881 13.280 5.036 1.00 0.00 N ATOM 571 CA ASP A 39 7.431 13.532 5.221 1.00 0.00 C ATOM 572 C ASP A 39 6.615 12.306 4.775 1.00 0.00 C ATOM 573 O ASP A 39 5.583 11.973 5.373 1.00 0.00 O ATOM 574 CB ASP A 39 6.997 14.779 4.404 1.00 0.00 C ATOM 575 CG ASP A 39 7.897 16.004 4.630 1.00 0.00 C ATOM 576 OD1 ASP A 39 8.977 16.076 4.000 1.00 0.00 O ATOM 577 OD2 ASP A 39 7.539 16.897 5.427 1.00 0.00 O ATOM 0 H ASP A 39 9.272 13.751 4.220 1.00 0.00 H new ATOM 0 HA ASP A 39 7.242 13.716 6.279 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.999 14.527 3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.972 15.038 4.668 1.00 0.00 H new ATOM 582 N PHE A 40 7.123 11.625 3.734 1.00 0.00 N ATOM 583 CA PHE A 40 6.456 10.475 3.103 1.00 0.00 C ATOM 584 C PHE A 40 6.576 9.221 4.001 1.00 0.00 C ATOM 585 O PHE A 40 5.782 8.293 3.866 1.00 0.00 O ATOM 586 CB PHE A 40 7.067 10.222 1.694 1.00 0.00 C ATOM 587 CG PHE A 40 6.352 9.154 0.866 1.00 0.00 C ATOM 588 CD1 PHE A 40 5.114 9.422 0.279 1.00 0.00 C ATOM 589 CD2 PHE A 40 6.913 7.887 0.673 1.00 0.00 C ATOM 590 CE1 PHE A 40 4.465 8.461 -0.471 1.00 0.00 C ATOM 591 CE2 PHE A 40 6.257 6.927 -0.078 1.00 0.00 C ATOM 592 CZ PHE A 40 5.035 7.214 -0.650 1.00 0.00 C ATOM 0 H PHE A 40 8.017 11.860 3.303 1.00 0.00 H new ATOM 0 HA PHE A 40 5.395 10.695 2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.059 11.159 1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.111 9.931 1.813 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.659 10.392 0.413 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.870 7.655 1.116 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.508 8.684 -0.920 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.702 5.953 -0.216 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.524 6.465 -1.237 1.00 0.00 H new ATOM 602 N LEU A 41 7.581 9.215 4.917 1.00 0.00 N ATOM 603 CA LEU A 41 7.743 8.152 5.938 1.00 0.00 C ATOM 604 C LEU A 41 6.489 8.092 6.821 1.00 0.00 C ATOM 605 O LEU A 41 5.894 7.035 6.991 1.00 0.00 O ATOM 606 CB LEU A 41 8.995 8.405 6.830 1.00 0.00 C ATOM 607 CG LEU A 41 10.373 8.344 6.110 1.00 0.00 C ATOM 608 CD1 LEU A 41 11.526 8.700 7.070 1.00 0.00 C ATOM 609 CD2 LEU A 41 10.597 6.969 5.438 1.00 0.00 C ATOM 0 H LEU A 41 8.295 9.942 4.966 1.00 0.00 H new ATOM 0 HA LEU A 41 7.881 7.203 5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.893 9.386 7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.996 7.671 7.636 1.00 0.00 H new ATOM 0 HG LEU A 41 10.365 9.095 5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.474 8.648 6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.381 9.710 7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.539 7.994 7.901 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.569 6.959 4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.567 6.185 6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.814 6.792 4.701 1.00 0.00 H new ATOM 621 N ASP A 42 6.081 9.276 7.318 1.00 0.00 N ATOM 622 CA ASP A 42 4.902 9.446 8.198 1.00 0.00 C ATOM 623 C ASP A 42 3.613 9.042 7.473 1.00 0.00 C ATOM 624 O ASP A 42 2.723 8.426 8.070 1.00 0.00 O ATOM 625 CB ASP A 42 4.794 10.914 8.676 1.00 0.00 C ATOM 626 CG ASP A 42 6.015 11.361 9.484 1.00 0.00 C ATOM 627 OD1 ASP A 42 7.045 11.704 8.880 1.00 0.00 O ATOM 628 OD2 ASP A 42 5.957 11.358 10.735 1.00 0.00 O ATOM 0 H ASP A 42 6.564 10.152 7.119 1.00 0.00 H new ATOM 0 HA ASP A 42 5.033 8.796 9.063 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.677 11.566 7.811 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.898 11.029 9.285 1.00 0.00 H new ATOM 633 N ILE A 43 3.534 9.402 6.178 1.00 0.00 N ATOM 634 CA ILE A 43 2.415 9.011 5.297 1.00 0.00 C ATOM 635 C ILE A 43 2.364 7.482 5.145 1.00 0.00 C ATOM 636 O ILE A 43 1.298 6.876 5.262 1.00 0.00 O ATOM 637 CB ILE A 43 2.536 9.687 3.871 1.00 0.00 C ATOM 638 CG1 ILE A 43 2.493 11.243 4.003 1.00 0.00 C ATOM 639 CG2 ILE A 43 1.444 9.182 2.887 1.00 0.00 C ATOM 640 CD1 ILE A 43 2.642 12.009 2.697 1.00 0.00 C ATOM 0 H ILE A 43 4.242 9.971 5.713 1.00 0.00 H new ATOM 0 HA ILE A 43 1.493 9.360 5.761 1.00 0.00 H new ATOM 0 HB ILE A 43 3.499 9.396 3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.548 11.526 4.466 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.286 11.556 4.682 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.568 9.674 1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.540 8.104 2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.457 9.414 3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.599 13.080 2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.600 11.763 2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.834 11.733 2.019 1.00 0.00 H new ATOM 652 N ALA A 44 3.543 6.863 4.966 1.00 0.00 N ATOM 653 CA ALA A 44 3.667 5.433 4.659 1.00 0.00 C ATOM 654 C ALA A 44 3.417 4.576 5.912 1.00 0.00 C ATOM 655 O ALA A 44 2.950 3.455 5.799 1.00 0.00 O ATOM 656 CB ALA A 44 5.057 5.143 4.079 1.00 0.00 C ATOM 0 H ALA A 44 4.439 7.345 5.031 1.00 0.00 H new ATOM 0 HA ALA A 44 2.911 5.171 3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.143 4.080 3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.198 5.720 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.820 5.422 4.806 1.00 0.00 H new ATOM 662 N PHE A 45 3.755 5.132 7.100 1.00 0.00 N ATOM 663 CA PHE A 45 3.465 4.508 8.412 1.00 0.00 C ATOM 664 C PHE A 45 1.956 4.512 8.666 1.00 0.00 C ATOM 665 O PHE A 45 1.393 3.505 9.094 1.00 0.00 O ATOM 666 CB PHE A 45 4.202 5.244 9.581 1.00 0.00 C ATOM 667 CG PHE A 45 5.662 4.835 9.765 1.00 0.00 C ATOM 668 CD1 PHE A 45 5.984 3.521 10.100 1.00 0.00 C ATOM 669 CD2 PHE A 45 6.703 5.755 9.631 1.00 0.00 C ATOM 670 CE1 PHE A 45 7.297 3.140 10.285 1.00 0.00 C ATOM 671 CE2 PHE A 45 8.017 5.369 9.813 1.00 0.00 C ATOM 672 CZ PHE A 45 8.314 4.062 10.142 1.00 0.00 C ATOM 0 H PHE A 45 4.237 6.028 7.175 1.00 0.00 H new ATOM 0 HA PHE A 45 3.832 3.482 8.381 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.158 6.318 9.402 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.664 5.053 10.510 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.196 2.792 10.216 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.478 6.782 9.382 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.530 2.117 10.542 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.812 6.091 9.698 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.341 3.761 10.287 1.00 0.00 H new ATOM 682 N ALA A 46 1.311 5.657 8.375 1.00 0.00 N ATOM 683 CA ALA A 46 -0.143 5.829 8.562 1.00 0.00 C ATOM 684 C ALA A 46 -0.932 4.867 7.655 1.00 0.00 C ATOM 685 O ALA A 46 -1.941 4.307 8.071 1.00 0.00 O ATOM 686 CB ALA A 46 -0.544 7.288 8.310 1.00 0.00 C ATOM 0 H ALA A 46 1.779 6.485 8.006 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.391 5.583 9.595 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.619 7.400 8.452 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.017 7.936 9.010 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.282 7.566 7.289 1.00 0.00 H new ATOM 692 N ILE A 47 -0.429 4.669 6.424 1.00 0.00 N ATOM 693 CA ILE A 47 -0.985 3.699 5.458 1.00 0.00 C ATOM 694 C ILE A 47 -0.774 2.255 5.948 1.00 0.00 C ATOM 695 O ILE A 47 -1.724 1.474 6.034 1.00 0.00 O ATOM 696 CB ILE A 47 -0.326 3.886 4.039 1.00 0.00 C ATOM 697 CG1 ILE A 47 -0.714 5.264 3.408 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.692 2.725 3.096 1.00 0.00 C ATOM 699 CD1 ILE A 47 -0.003 5.609 2.106 1.00 0.00 C ATOM 0 H ILE A 47 0.379 5.179 6.067 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.056 3.886 5.376 1.00 0.00 H new ATOM 0 HB ILE A 47 0.755 3.876 4.177 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.789 5.273 3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.506 6.049 4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.222 2.883 2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.339 1.786 3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.774 2.683 2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.343 6.583 1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.073 5.640 2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.230 4.852 1.356 1.00 0.00 H new ATOM 711 N ASP A 48 0.493 1.937 6.256 1.00 0.00 N ATOM 712 CA ASP A 48 0.961 0.600 6.701 1.00 0.00 C ATOM 713 C ASP A 48 0.040 0.024 7.799 1.00 0.00 C ATOM 714 O ASP A 48 -0.505 -1.076 7.667 1.00 0.00 O ATOM 715 CB ASP A 48 2.419 0.768 7.225 1.00 0.00 C ATOM 716 CG ASP A 48 3.104 -0.504 7.736 1.00 0.00 C ATOM 717 OD1 ASP A 48 2.880 -0.890 8.907 1.00 0.00 O ATOM 718 OD2 ASP A 48 3.918 -1.098 6.995 1.00 0.00 O ATOM 0 H ASP A 48 1.249 2.619 6.203 1.00 0.00 H new ATOM 0 HA ASP A 48 0.934 -0.106 5.871 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.026 1.185 6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.411 1.501 8.032 1.00 0.00 H new ATOM 723 N LYS A 49 -0.168 0.840 8.838 1.00 0.00 N ATOM 724 CA LYS A 49 -0.955 0.486 10.031 1.00 0.00 C ATOM 725 C LYS A 49 -2.469 0.469 9.732 1.00 0.00 C ATOM 726 O LYS A 49 -3.181 -0.417 10.216 1.00 0.00 O ATOM 727 CB LYS A 49 -0.607 1.490 11.163 1.00 0.00 C ATOM 728 CG LYS A 49 0.899 1.503 11.533 1.00 0.00 C ATOM 729 CD LYS A 49 1.303 2.717 12.402 1.00 0.00 C ATOM 730 CE LYS A 49 2.819 2.775 12.685 1.00 0.00 C ATOM 731 NZ LYS A 49 3.292 1.615 13.488 1.00 0.00 N ATOM 0 H LYS A 49 0.213 1.785 8.877 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.698 -0.525 10.348 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.907 2.492 10.855 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.189 1.242 12.050 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.143 0.585 12.067 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.491 1.506 10.618 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.997 3.635 11.900 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.763 2.676 13.348 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.361 2.804 11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.052 3.699 13.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.312 1.709 13.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.783 1.590 14.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.111 0.734 12.965 1.00 0.00 H new ATOM 745 N ALA A 50 -2.943 1.445 8.914 1.00 0.00 N ATOM 746 CA ALA A 50 -4.376 1.562 8.524 1.00 0.00 C ATOM 747 C ALA A 50 -4.880 0.296 7.809 1.00 0.00 C ATOM 748 O ALA A 50 -5.950 -0.230 8.129 1.00 0.00 O ATOM 749 CB ALA A 50 -4.609 2.792 7.622 1.00 0.00 C ATOM 0 H ALA A 50 -2.349 2.168 8.508 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.943 1.684 9.447 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.664 2.852 7.353 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.319 3.696 8.158 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.009 2.698 6.717 1.00 0.00 H new ATOM 755 N PHE A 51 -4.085 -0.161 6.834 1.00 0.00 N ATOM 756 CA PHE A 51 -4.382 -1.359 6.025 1.00 0.00 C ATOM 757 C PHE A 51 -3.857 -2.645 6.693 1.00 0.00 C ATOM 758 O PHE A 51 -4.080 -3.742 6.170 1.00 0.00 O ATOM 759 CB PHE A 51 -3.787 -1.191 4.605 1.00 0.00 C ATOM 760 CG PHE A 51 -4.449 -0.076 3.789 1.00 0.00 C ATOM 761 CD1 PHE A 51 -3.999 1.240 3.867 1.00 0.00 C ATOM 762 CD2 PHE A 51 -5.527 -0.355 2.946 1.00 0.00 C ATOM 763 CE1 PHE A 51 -4.598 2.244 3.128 1.00 0.00 C ATOM 764 CE2 PHE A 51 -6.127 0.647 2.211 1.00 0.00 C ATOM 765 CZ PHE A 51 -5.661 1.942 2.301 1.00 0.00 C ATOM 0 H PHE A 51 -3.208 0.292 6.579 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.465 -1.459 5.949 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.720 -0.983 4.690 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.886 -2.133 4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.169 1.480 4.515 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.895 -1.367 2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.236 3.259 3.198 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.962 0.417 1.565 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.130 2.723 1.722 1.00 0.00 H new ATOM 775 N GLY A 52 -3.151 -2.501 7.840 1.00 0.00 N ATOM 776 CA GLY A 52 -2.653 -3.646 8.618 1.00 0.00 C ATOM 777 C GLY A 52 -1.604 -4.482 7.886 1.00 0.00 C ATOM 778 O GLY A 52 -1.355 -5.639 8.249 1.00 0.00 O ATOM 0 H GLY A 52 -2.916 -1.594 8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.225 -3.280 9.551 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.494 -4.287 8.882 1.00 0.00 H new ATOM 782 N ILE A 53 -1.006 -3.903 6.837 1.00 0.00 N ATOM 783 CA ILE A 53 -0.008 -4.579 5.991 1.00 0.00 C ATOM 784 C ILE A 53 1.395 -4.050 6.318 1.00 0.00 C ATOM 785 O ILE A 53 1.541 -3.105 7.092 1.00 0.00 O ATOM 786 CB ILE A 53 -0.323 -4.368 4.461 1.00 0.00 C ATOM 787 CG1 ILE A 53 -0.393 -2.839 4.104 1.00 0.00 C ATOM 788 CG2 ILE A 53 -1.633 -5.100 4.060 1.00 0.00 C ATOM 789 CD1 ILE A 53 -0.442 -2.548 2.619 1.00 0.00 C ATOM 0 H ILE A 53 -1.201 -2.945 6.547 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.050 -5.648 6.200 1.00 0.00 H new ATOM 0 HB ILE A 53 0.493 -4.804 3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.276 -2.408 4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.475 -2.338 4.532 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.829 -4.940 3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.527 -6.168 4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.464 -4.707 4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.489 -1.471 2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.453 -2.946 2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.325 -3.017 2.185 1.00 0.00 H new ATOM 801 N LYS A 54 2.417 -4.673 5.731 1.00 0.00 N ATOM 802 CA LYS A 54 3.803 -4.210 5.834 1.00 0.00 C ATOM 803 C LYS A 54 4.253 -3.718 4.460 1.00 0.00 C ATOM 804 O LYS A 54 4.519 -4.528 3.569 1.00 0.00 O ATOM 805 CB LYS A 54 4.727 -5.345 6.371 1.00 0.00 C ATOM 806 CG LYS A 54 6.244 -5.021 6.364 1.00 0.00 C ATOM 807 CD LYS A 54 6.598 -3.737 7.157 1.00 0.00 C ATOM 808 CE LYS A 54 8.101 -3.417 7.134 1.00 0.00 C ATOM 809 NZ LYS A 54 8.400 -2.171 7.871 1.00 0.00 N ATOM 0 H LYS A 54 2.307 -5.517 5.168 1.00 0.00 H new ATOM 0 HA LYS A 54 3.870 -3.388 6.546 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.427 -5.583 7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.560 -6.241 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.791 -5.864 6.787 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.580 -4.908 5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.046 -2.895 6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.272 -3.852 8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.657 -4.244 7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.438 -3.320 6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.422 -1.984 7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.888 -1.378 7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.100 -2.273 8.862 1.00 0.00 H new ATOM 823 N LEU A 55 4.305 -2.387 4.269 1.00 0.00 N ATOM 824 CA LEU A 55 4.893 -1.790 3.073 1.00 0.00 C ATOM 825 C LEU A 55 6.418 -1.972 3.132 1.00 0.00 C ATOM 826 O LEU A 55 7.041 -1.529 4.109 1.00 0.00 O ATOM 827 CB LEU A 55 4.548 -0.271 2.976 1.00 0.00 C ATOM 828 CG LEU A 55 3.039 0.096 2.788 1.00 0.00 C ATOM 829 CD1 LEU A 55 2.846 1.630 2.780 1.00 0.00 C ATOM 830 CD2 LEU A 55 2.460 -0.544 1.500 1.00 0.00 C ATOM 0 H LEU A 55 3.942 -1.707 4.937 1.00 0.00 H new ATOM 0 HA LEU A 55 4.485 -2.284 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.907 0.218 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.108 0.152 2.142 1.00 0.00 H new ATOM 0 HG LEU A 55 2.487 -0.312 3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.789 1.863 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.194 2.045 3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.418 2.064 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.410 -0.270 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.015 -0.184 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.548 -1.629 1.562 1.00 0.00 H new ATOM 842 N PRO A 56 7.051 -2.650 2.124 1.00 0.00 N ATOM 843 CA PRO A 56 8.517 -2.662 1.987 1.00 0.00 C ATOM 844 C PRO A 56 9.009 -1.341 1.367 1.00 0.00 C ATOM 845 O PRO A 56 9.634 -1.324 0.304 1.00 0.00 O ATOM 846 CB PRO A 56 8.771 -3.894 1.095 1.00 0.00 C ATOM 847 CG PRO A 56 7.552 -3.994 0.231 1.00 0.00 C ATOM 848 CD PRO A 56 6.400 -3.491 1.081 1.00 0.00 C ATOM 0 HA PRO A 56 9.060 -2.733 2.930 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.673 -3.770 0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.908 -4.795 1.693 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.663 -3.394 -0.672 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.382 -5.022 -0.088 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.692 -2.912 0.488 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.844 -4.316 1.526 1.00 0.00 H new ATOM 856 N LEU A 57 8.739 -0.239 2.103 1.00 0.00 N ATOM 857 CA LEU A 57 8.970 1.144 1.654 1.00 0.00 C ATOM 858 C LEU A 57 10.479 1.381 1.477 1.00 0.00 C ATOM 859 O LEU A 57 10.902 1.918 0.462 1.00 0.00 O ATOM 860 CB LEU A 57 8.343 2.153 2.689 1.00 0.00 C ATOM 861 CG LEU A 57 7.878 3.568 2.176 1.00 0.00 C ATOM 862 CD1 LEU A 57 9.028 4.437 1.633 1.00 0.00 C ATOM 863 CD2 LEU A 57 6.745 3.426 1.145 1.00 0.00 C ATOM 0 H LEU A 57 8.347 -0.292 3.043 1.00 0.00 H new ATOM 0 HA LEU A 57 8.485 1.309 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.481 1.666 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.075 2.312 3.481 1.00 0.00 H new ATOM 0 HG LEU A 57 7.496 4.101 3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.633 5.396 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.762 4.603 2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.504 3.928 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.438 4.414 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.097 2.841 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.895 2.921 1.605 1.00 0.00 H new ATOM 875 N GLU A 58 11.269 0.915 2.465 1.00 0.00 N ATOM 876 CA GLU A 58 12.735 1.082 2.484 1.00 0.00 C ATOM 877 C GLU A 58 13.396 0.268 1.358 1.00 0.00 C ATOM 878 O GLU A 58 14.410 0.692 0.802 1.00 0.00 O ATOM 879 CB GLU A 58 13.305 0.679 3.873 1.00 0.00 C ATOM 880 CG GLU A 58 12.767 1.524 5.043 1.00 0.00 C ATOM 881 CD GLU A 58 13.321 1.088 6.410 1.00 0.00 C ATOM 882 OE1 GLU A 58 12.739 0.171 7.034 1.00 0.00 O ATOM 883 OE2 GLU A 58 14.330 1.661 6.875 1.00 0.00 O ATOM 0 H GLU A 58 10.907 0.411 3.274 1.00 0.00 H new ATOM 0 HA GLU A 58 12.965 2.133 2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.072 -0.369 4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.391 0.764 3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.019 2.571 4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.679 1.457 5.061 1.00 0.00 H new ATOM 890 N LYS A 59 12.802 -0.893 1.018 1.00 0.00 N ATOM 891 CA LYS A 59 13.260 -1.713 -0.123 1.00 0.00 C ATOM 892 C LYS A 59 13.041 -0.950 -1.440 1.00 0.00 C ATOM 893 O LYS A 59 13.952 -0.862 -2.277 1.00 0.00 O ATOM 894 CB LYS A 59 12.521 -3.074 -0.156 1.00 0.00 C ATOM 895 CG LYS A 59 13.039 -4.053 -1.239 1.00 0.00 C ATOM 896 CD LYS A 59 12.382 -5.452 -1.164 1.00 0.00 C ATOM 897 CE LYS A 59 10.876 -5.431 -1.480 1.00 0.00 C ATOM 898 NZ LYS A 59 10.261 -6.774 -1.376 1.00 0.00 N ATOM 0 H LYS A 59 12.003 -1.285 1.517 1.00 0.00 H new ATOM 0 HA LYS A 59 14.325 -1.911 -0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.614 -3.549 0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.459 -2.894 -0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.854 -3.625 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.119 -4.160 -1.135 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.884 -6.120 -1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.532 -5.864 -0.166 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.373 -4.749 -0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.724 -5.041 -2.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.247 -6.710 -1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.722 -7.420 -2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.382 -7.137 -0.409 1.00 0.00 H new ATOM 912 N TRP A 60 11.833 -0.370 -1.577 1.00 0.00 N ATOM 913 CA TRP A 60 11.462 0.485 -2.723 1.00 0.00 C ATOM 914 C TRP A 60 12.384 1.717 -2.814 1.00 0.00 C ATOM 915 O TRP A 60 12.742 2.154 -3.908 1.00 0.00 O ATOM 916 CB TRP A 60 9.987 0.942 -2.604 1.00 0.00 C ATOM 917 CG TRP A 60 8.967 -0.170 -2.662 1.00 0.00 C ATOM 918 CD1 TRP A 60 9.085 -1.381 -3.285 1.00 0.00 C ATOM 919 CD2 TRP A 60 7.650 -0.147 -2.096 1.00 0.00 C ATOM 920 NE1 TRP A 60 7.930 -2.100 -3.137 1.00 0.00 N ATOM 921 CE2 TRP A 60 7.035 -1.363 -2.414 1.00 0.00 C ATOM 922 CE3 TRP A 60 6.938 0.797 -1.352 1.00 0.00 C ATOM 923 CZ2 TRP A 60 5.741 -1.667 -2.016 1.00 0.00 C ATOM 924 CZ3 TRP A 60 5.653 0.494 -0.952 1.00 0.00 C ATOM 925 CH2 TRP A 60 5.063 -0.726 -1.292 1.00 0.00 C ATOM 0 H TRP A 60 11.084 -0.481 -0.894 1.00 0.00 H new ATOM 0 HA TRP A 60 11.580 -0.105 -3.632 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.864 1.479 -1.663 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.776 1.650 -3.405 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.962 -1.721 -3.816 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.764 -3.036 -3.507 1.00 0.00 H new ATOM 0 HE3 TRP A 60 7.385 1.746 -1.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 5.286 -2.613 -2.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 5.095 1.210 -0.367 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.050 -0.930 -0.976 1.00 0.00 H new ATOM 936 N THR A 61 12.771 2.238 -1.635 1.00 0.00 N ATOM 937 CA THR A 61 13.645 3.409 -1.501 1.00 0.00 C ATOM 938 C THR A 61 15.060 3.097 -2.036 1.00 0.00 C ATOM 939 O THR A 61 15.658 3.926 -2.717 1.00 0.00 O ATOM 940 CB THR A 61 13.690 3.886 -0.004 1.00 0.00 C ATOM 941 OG1 THR A 61 12.372 4.275 0.426 1.00 0.00 O ATOM 942 CG2 THR A 61 14.653 5.059 0.227 1.00 0.00 C ATOM 0 H THR A 61 12.479 1.849 -0.738 1.00 0.00 H new ATOM 0 HA THR A 61 13.238 4.222 -2.102 1.00 0.00 H new ATOM 0 HB THR A 61 14.056 3.041 0.578 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.793 3.485 0.460 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.638 5.340 1.280 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.663 4.761 -0.054 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.343 5.909 -0.380 1.00 0.00 H new ATOM 950 N GLN A 62 15.557 1.863 -1.783 1.00 0.00 N ATOM 951 CA GLN A 62 16.888 1.422 -2.256 1.00 0.00 C ATOM 952 C GLN A 62 16.904 1.347 -3.791 1.00 0.00 C ATOM 953 O GLN A 62 17.873 1.765 -4.425 1.00 0.00 O ATOM 954 CB GLN A 62 17.260 0.033 -1.661 1.00 0.00 C ATOM 955 CG GLN A 62 17.430 -0.005 -0.133 1.00 0.00 C ATOM 956 CD GLN A 62 18.513 0.944 0.383 1.00 0.00 C ATOM 957 OE1 GLN A 62 18.235 2.090 0.729 1.00 0.00 O ATOM 958 NE2 GLN A 62 19.757 0.489 0.391 1.00 0.00 N ATOM 0 H GLN A 62 15.052 1.154 -1.251 1.00 0.00 H new ATOM 0 HA GLN A 62 17.625 2.151 -1.920 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.487 -0.683 -1.942 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.189 -0.304 -2.122 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.480 0.250 0.337 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.674 -1.023 0.173 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.952 -0.468 0.097 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.520 1.096 0.691 1.00 0.00 H new ATOM 967 N GLU A 63 15.797 0.827 -4.354 1.00 0.00 N ATOM 968 CA GLU A 63 15.622 0.647 -5.807 1.00 0.00 C ATOM 969 C GLU A 63 15.598 2.004 -6.537 1.00 0.00 C ATOM 970 O GLU A 63 16.275 2.180 -7.559 1.00 0.00 O ATOM 971 CB GLU A 63 14.314 -0.132 -6.076 1.00 0.00 C ATOM 972 CG GLU A 63 14.264 -1.537 -5.457 1.00 0.00 C ATOM 973 CD GLU A 63 12.923 -2.239 -5.698 1.00 0.00 C ATOM 974 OE1 GLU A 63 12.759 -2.896 -6.749 1.00 0.00 O ATOM 975 OE2 GLU A 63 12.015 -2.110 -4.855 1.00 0.00 O ATOM 0 H GLU A 63 14.993 0.518 -3.808 1.00 0.00 H new ATOM 0 HA GLU A 63 16.469 0.079 -6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.476 0.449 -5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.174 -0.219 -7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.068 -2.143 -5.875 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.444 -1.464 -4.384 1.00 0.00 H new ATOM 982 N VAL A 64 14.819 2.950 -5.981 1.00 0.00 N ATOM 983 CA VAL A 64 14.689 4.317 -6.516 1.00 0.00 C ATOM 984 C VAL A 64 16.056 5.037 -6.511 1.00 0.00 C ATOM 985 O VAL A 64 16.542 5.451 -7.566 1.00 0.00 O ATOM 986 CB VAL A 64 13.606 5.139 -5.711 1.00 0.00 C ATOM 987 CG1 VAL A 64 13.669 6.651 -6.031 1.00 0.00 C ATOM 988 CG2 VAL A 64 12.185 4.587 -5.988 1.00 0.00 C ATOM 0 H VAL A 64 14.260 2.786 -5.144 1.00 0.00 H new ATOM 0 HA VAL A 64 14.350 4.248 -7.550 1.00 0.00 H new ATOM 0 HB VAL A 64 13.832 5.019 -4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.907 7.177 -5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.654 7.038 -5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.491 6.805 -7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.453 5.166 -5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.966 4.664 -7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.134 3.542 -5.681 1.00 0.00 H new ATOM 998 N ASN A 65 16.666 5.154 -5.317 1.00 0.00 N ATOM 999 CA ASN A 65 17.970 5.841 -5.120 1.00 0.00 C ATOM 1000 C ASN A 65 19.106 5.232 -5.964 1.00 0.00 C ATOM 1001 O ASN A 65 20.020 5.948 -6.385 1.00 0.00 O ATOM 1002 CB ASN A 65 18.361 5.840 -3.618 1.00 0.00 C ATOM 1003 CG ASN A 65 17.318 6.513 -2.720 1.00 0.00 C ATOM 1004 OD1 ASN A 65 16.555 7.368 -3.152 1.00 0.00 O ATOM 1005 ND2 ASN A 65 17.283 6.132 -1.457 1.00 0.00 N ATOM 0 H ASN A 65 16.273 4.776 -4.455 1.00 0.00 H new ATOM 0 HA ASN A 65 17.836 6.867 -5.464 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.505 4.811 -3.288 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.317 6.350 -3.498 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.610 6.552 -0.816 1.00 0.00 H new ATOM 0 HD22 ASN A 65 17.929 5.418 -1.122 1.00 0.00 H new ATOM 1012 N ASP A 66 19.030 3.911 -6.218 1.00 0.00 N ATOM 1013 CA ASP A 66 20.055 3.199 -7.013 1.00 0.00 C ATOM 1014 C ASP A 66 19.812 3.434 -8.520 1.00 0.00 C ATOM 1015 O ASP A 66 20.744 3.411 -9.332 1.00 0.00 O ATOM 1016 CB ASP A 66 20.014 1.679 -6.689 1.00 0.00 C ATOM 1017 CG ASP A 66 21.271 0.913 -7.153 1.00 0.00 C ATOM 1018 OD1 ASP A 66 21.407 0.633 -8.358 1.00 0.00 O ATOM 1019 OD2 ASP A 66 22.130 0.587 -6.308 1.00 0.00 O ATOM 0 H ASP A 66 18.272 3.315 -5.886 1.00 0.00 H new ATOM 0 HA ASP A 66 21.041 3.586 -6.754 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.896 1.549 -5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 66 19.136 1.239 -7.162 1.00 0.00 H new ATOM 1024 N GLY A 67 18.538 3.691 -8.867 1.00 0.00 N ATOM 1025 CA GLY A 67 18.124 3.912 -10.256 1.00 0.00 C ATOM 1026 C GLY A 67 17.567 2.640 -10.887 1.00 0.00 C ATOM 1027 O GLY A 67 17.228 2.623 -12.074 1.00 0.00 O ATOM 0 H GLY A 67 17.774 3.750 -8.194 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.368 4.696 -10.290 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.976 4.264 -10.838 1.00 0.00 H new ATOM 1031 N LYS A 68 17.479 1.561 -10.077 1.00 0.00 N ATOM 1032 CA LYS A 68 16.925 0.259 -10.500 1.00 0.00 C ATOM 1033 C LYS A 68 15.421 0.357 -10.810 1.00 0.00 C ATOM 1034 O LYS A 68 14.904 -0.378 -11.660 1.00 0.00 O ATOM 1035 CB LYS A 68 17.165 -0.810 -9.389 1.00 0.00 C ATOM 1036 CG LYS A 68 18.643 -1.192 -9.111 1.00 0.00 C ATOM 1037 CD LYS A 68 19.215 -2.355 -9.982 1.00 0.00 C ATOM 1038 CE LYS A 68 19.425 -2.025 -11.482 1.00 0.00 C ATOM 1039 NZ LYS A 68 18.194 -2.191 -12.301 1.00 0.00 N ATOM 0 H LYS A 68 17.793 1.571 -9.106 1.00 0.00 H new ATOM 0 HA LYS A 68 17.439 -0.039 -11.414 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.726 -0.444 -8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.623 -1.715 -9.662 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.263 -0.309 -9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 68 18.737 -1.469 -8.061 1.00 0.00 H new ATOM 0 HD2 LYS A 68 20.170 -2.666 -9.559 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.540 -3.208 -9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 68 19.778 -0.998 -11.575 1.00 0.00 H new ATOM 0 HE3 LYS A 68 20.208 -2.669 -11.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.105 -1.391 -12.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.252 -3.079 -12.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.363 -2.219 -11.677 1.00 0.00 H new ATOM 1053 N ALA A 69 14.741 1.263 -10.102 1.00 0.00 N ATOM 1054 CA ALA A 69 13.300 1.473 -10.217 1.00 0.00 C ATOM 1055 C ALA A 69 13.014 2.962 -10.360 1.00 0.00 C ATOM 1056 O ALA A 69 13.617 3.781 -9.658 1.00 0.00 O ATOM 1057 CB ALA A 69 12.603 0.908 -8.984 1.00 0.00 C ATOM 0 H ALA A 69 15.186 1.880 -9.422 1.00 0.00 H new ATOM 0 HA ALA A 69 12.920 0.958 -11.099 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.528 1.065 -9.070 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.809 -0.160 -8.907 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.973 1.414 -8.093 1.00 0.00 H new ATOM 1063 N THR A 70 12.102 3.297 -11.279 1.00 0.00 N ATOM 1064 CA THR A 70 11.668 4.671 -11.530 1.00 0.00 C ATOM 1065 C THR A 70 10.938 5.254 -10.295 1.00 0.00 C ATOM 1066 O THR A 70 10.297 4.512 -9.536 1.00 0.00 O ATOM 1067 CB THR A 70 10.739 4.692 -12.794 1.00 0.00 C ATOM 1068 OG1 THR A 70 11.352 3.946 -13.864 1.00 0.00 O ATOM 1069 CG2 THR A 70 10.444 6.114 -13.301 1.00 0.00 C ATOM 0 H THR A 70 11.640 2.611 -11.876 1.00 0.00 H new ATOM 0 HA THR A 70 12.541 5.297 -11.716 1.00 0.00 H new ATOM 0 HB THR A 70 9.794 4.242 -12.489 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.767 3.961 -14.650 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.797 6.061 -14.177 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.947 6.684 -12.516 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.379 6.606 -13.570 1.00 0.00 H new ATOM 1077 N THR A 71 11.071 6.578 -10.098 1.00 0.00 N ATOM 1078 CA THR A 71 10.481 7.293 -8.957 1.00 0.00 C ATOM 1079 C THR A 71 8.935 7.210 -8.988 1.00 0.00 C ATOM 1080 O THR A 71 8.323 6.722 -8.037 1.00 0.00 O ATOM 1081 CB THR A 71 10.944 8.788 -8.951 1.00 0.00 C ATOM 1082 OG1 THR A 71 10.642 9.384 -10.224 1.00 0.00 O ATOM 1083 CG2 THR A 71 12.449 8.934 -8.653 1.00 0.00 C ATOM 0 H THR A 71 11.594 7.183 -10.731 1.00 0.00 H new ATOM 0 HA THR A 71 10.829 6.813 -8.042 1.00 0.00 H new ATOM 0 HB THR A 71 10.405 9.299 -8.153 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.929 10.321 -10.223 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.721 9.990 -8.660 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.669 8.509 -7.674 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.024 8.406 -9.414 1.00 0.00 H new ATOM 1091 N GLU A 72 8.326 7.685 -10.108 1.00 0.00 N ATOM 1092 CA GLU A 72 6.853 7.658 -10.339 1.00 0.00 C ATOM 1093 C GLU A 72 6.210 6.270 -10.099 1.00 0.00 C ATOM 1094 O GLU A 72 5.082 6.180 -9.605 1.00 0.00 O ATOM 1095 CB GLU A 72 6.530 8.162 -11.778 1.00 0.00 C ATOM 1096 CG GLU A 72 7.072 7.271 -12.912 1.00 0.00 C ATOM 1097 CD GLU A 72 6.665 7.736 -14.319 1.00 0.00 C ATOM 1098 OE1 GLU A 72 5.517 7.455 -14.745 1.00 0.00 O ATOM 1099 OE2 GLU A 72 7.482 8.388 -15.005 1.00 0.00 O ATOM 0 H GLU A 72 8.845 8.100 -10.881 1.00 0.00 H new ATOM 0 HA GLU A 72 6.413 8.327 -9.600 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.448 8.244 -11.885 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.939 9.165 -11.897 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.160 7.243 -12.850 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.718 6.251 -12.760 1.00 0.00 H new ATOM 1106 N GLN A 73 6.966 5.215 -10.433 1.00 0.00 N ATOM 1107 CA GLN A 73 6.542 3.808 -10.262 1.00 0.00 C ATOM 1108 C GLN A 73 6.045 3.533 -8.823 1.00 0.00 C ATOM 1109 O GLN A 73 5.067 2.803 -8.618 1.00 0.00 O ATOM 1110 CB GLN A 73 7.717 2.864 -10.623 1.00 0.00 C ATOM 1111 CG GLN A 73 7.435 1.363 -10.413 1.00 0.00 C ATOM 1112 CD GLN A 73 8.596 0.436 -10.765 1.00 0.00 C ATOM 1113 OE1 GLN A 73 9.823 0.892 -10.570 1.00 0.00 O flip ATOM 1114 NE2 GLN A 73 8.389 -0.697 -11.193 1.00 0.00 N flip ATOM 0 H GLN A 73 7.899 5.309 -10.834 1.00 0.00 H new ATOM 0 HA GLN A 73 5.705 3.618 -10.935 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.985 3.025 -11.667 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.584 3.143 -10.024 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.164 1.202 -9.370 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.570 1.083 -11.014 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.433 -1.022 -11.334 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.174 -1.312 -11.408 1.00 0.00 H new ATOM 1123 N TYR A 74 6.711 4.160 -7.840 1.00 0.00 N ATOM 1124 CA TYR A 74 6.429 3.958 -6.409 1.00 0.00 C ATOM 1125 C TYR A 74 5.802 5.210 -5.746 1.00 0.00 C ATOM 1126 O TYR A 74 5.096 5.082 -4.739 1.00 0.00 O ATOM 1127 CB TYR A 74 7.731 3.540 -5.667 1.00 0.00 C ATOM 1128 CG TYR A 74 8.315 2.169 -6.088 1.00 0.00 C ATOM 1129 CD1 TYR A 74 7.488 1.086 -6.405 1.00 0.00 C ATOM 1130 CD2 TYR A 74 9.692 1.951 -6.136 1.00 0.00 C ATOM 1131 CE1 TYR A 74 8.009 -0.144 -6.752 1.00 0.00 C ATOM 1132 CE2 TYR A 74 10.214 0.717 -6.479 1.00 0.00 C ATOM 1133 CZ TYR A 74 9.370 -0.323 -6.787 1.00 0.00 C ATOM 1134 OH TYR A 74 9.889 -1.556 -7.118 1.00 0.00 O ATOM 0 H TYR A 74 7.464 4.825 -8.016 1.00 0.00 H new ATOM 0 HA TYR A 74 5.692 3.159 -6.330 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.488 4.307 -5.834 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.530 3.518 -4.596 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.416 1.216 -6.378 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.364 2.763 -5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.348 -0.963 -6.995 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.284 0.571 -6.505 1.00 0.00 H new ATOM 0 HH TYR A 74 10.844 -1.465 -7.320 1.00 0.00 H new ATOM 1144 N PHE A 75 6.042 6.414 -6.295 1.00 0.00 N ATOM 1145 CA PHE A 75 5.647 7.680 -5.624 1.00 0.00 C ATOM 1146 C PHE A 75 4.402 8.346 -6.246 1.00 0.00 C ATOM 1147 O PHE A 75 3.952 9.371 -5.731 1.00 0.00 O ATOM 1148 CB PHE A 75 6.830 8.680 -5.613 1.00 0.00 C ATOM 1149 CG PHE A 75 8.028 8.267 -4.753 1.00 0.00 C ATOM 1150 CD1 PHE A 75 7.854 7.913 -3.412 1.00 0.00 C ATOM 1151 CD2 PHE A 75 9.323 8.252 -5.273 1.00 0.00 C ATOM 1152 CE1 PHE A 75 8.937 7.555 -2.628 1.00 0.00 C ATOM 1153 CE2 PHE A 75 10.402 7.897 -4.483 1.00 0.00 C ATOM 1154 CZ PHE A 75 10.210 7.545 -3.163 1.00 0.00 C ATOM 0 H PHE A 75 6.504 6.544 -7.195 1.00 0.00 H new ATOM 0 HA PHE A 75 5.379 7.408 -4.603 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.172 8.824 -6.638 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.466 9.645 -5.260 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.863 7.919 -2.983 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.485 8.521 -6.306 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.786 7.282 -1.594 1.00 0.00 H new ATOM 0 HE2 PHE A 75 11.398 7.895 -4.901 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.053 7.262 -2.550 1.00 0.00 H new ATOM 1164 N VAL A 76 3.811 7.763 -7.305 1.00 0.00 N ATOM 1165 CA VAL A 76 2.551 8.300 -7.873 1.00 0.00 C ATOM 1166 C VAL A 76 1.404 7.672 -7.087 1.00 0.00 C ATOM 1167 O VAL A 76 1.377 6.477 -6.931 1.00 0.00 O ATOM 1168 CB VAL A 76 2.420 8.052 -9.426 1.00 0.00 C ATOM 1169 CG1 VAL A 76 0.962 8.178 -9.933 1.00 0.00 C ATOM 1170 CG2 VAL A 76 3.338 9.028 -10.200 1.00 0.00 C ATOM 0 H VAL A 76 4.173 6.936 -7.780 1.00 0.00 H new ATOM 0 HA VAL A 76 2.534 9.385 -7.773 1.00 0.00 H new ATOM 0 HB VAL A 76 2.733 7.025 -9.611 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.934 7.997 -11.008 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.336 7.445 -9.425 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.589 9.181 -9.724 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.240 8.848 -11.271 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.048 10.055 -9.976 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.374 8.870 -9.899 1.00 0.00 H new ATOM 1180 N LEU A 77 0.492 8.506 -6.576 1.00 0.00 N ATOM 1181 CA LEU A 77 -0.489 8.142 -5.528 1.00 0.00 C ATOM 1182 C LEU A 77 -1.427 6.973 -5.900 1.00 0.00 C ATOM 1183 O LEU A 77 -1.841 6.219 -5.015 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.311 9.394 -5.149 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.470 10.652 -4.768 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -1.375 11.841 -4.439 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.524 10.353 -3.617 1.00 0.00 C ATOM 0 H LEU A 77 0.407 9.476 -6.881 1.00 0.00 H new ATOM 0 HA LEU A 77 0.088 7.780 -4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.959 9.650 -5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.959 9.143 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 77 0.127 10.923 -5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.762 12.703 -4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.989 12.082 -5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.020 11.586 -3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.090 11.254 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.028 10.031 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.210 9.564 -3.924 1.00 0.00 H new ATOM 1199 N LYS A 78 -1.768 6.836 -7.197 1.00 0.00 N ATOM 1200 CA LYS A 78 -2.597 5.700 -7.686 1.00 0.00 C ATOM 1201 C LYS A 78 -1.739 4.413 -7.778 1.00 0.00 C ATOM 1202 O LYS A 78 -2.242 3.310 -7.564 1.00 0.00 O ATOM 1203 CB LYS A 78 -3.247 6.030 -9.060 1.00 0.00 C ATOM 1204 CG LYS A 78 -2.241 6.222 -10.211 1.00 0.00 C ATOM 1205 CD LYS A 78 -2.907 6.566 -11.555 1.00 0.00 C ATOM 1206 CE LYS A 78 -1.888 6.620 -12.705 1.00 0.00 C ATOM 1207 NZ LYS A 78 -1.209 5.308 -12.915 1.00 0.00 N ATOM 0 H LYS A 78 -1.487 7.491 -7.927 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.403 5.532 -6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.935 5.227 -9.325 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.841 6.938 -8.958 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.544 7.017 -9.946 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.655 5.310 -10.327 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.671 5.822 -11.782 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.413 7.528 -11.473 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.394 6.917 -13.624 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.141 7.384 -12.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.716 5.315 -13.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.521 5.147 -12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.917 4.546 -12.909 1.00 0.00 H new ATOM 1221 N ASN A 79 -0.438 4.589 -8.100 1.00 0.00 N ATOM 1222 CA ASN A 79 0.559 3.492 -8.123 1.00 0.00 C ATOM 1223 C ASN A 79 0.823 3.025 -6.687 1.00 0.00 C ATOM 1224 O ASN A 79 0.905 1.829 -6.423 1.00 0.00 O ATOM 1225 CB ASN A 79 1.896 3.939 -8.786 1.00 0.00 C ATOM 1226 CG ASN A 79 1.784 4.273 -10.272 1.00 0.00 C ATOM 1227 OD1 ASN A 79 0.734 4.695 -10.766 1.00 0.00 O ATOM 1228 ND2 ASN A 79 2.877 4.095 -10.996 1.00 0.00 N ATOM 0 H ASN A 79 -0.048 5.497 -8.352 1.00 0.00 H new ATOM 0 HA ASN A 79 0.154 2.674 -8.719 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.275 4.814 -8.257 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.633 3.146 -8.659 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.868 4.308 -11.993 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.728 3.745 -10.557 1.00 0.00 H new ATOM 1235 N LEU A 80 0.926 4.001 -5.766 1.00 0.00 N ATOM 1236 CA LEU A 80 1.087 3.773 -4.330 1.00 0.00 C ATOM 1237 C LEU A 80 -0.100 2.947 -3.835 1.00 0.00 C ATOM 1238 O LEU A 80 0.092 1.872 -3.278 1.00 0.00 O ATOM 1239 CB LEU A 80 1.204 5.133 -3.582 1.00 0.00 C ATOM 1240 CG LEU A 80 1.257 5.091 -2.016 1.00 0.00 C ATOM 1241 CD1 LEU A 80 2.446 4.249 -1.491 1.00 0.00 C ATOM 1242 CD2 LEU A 80 1.286 6.527 -1.429 1.00 0.00 C ATOM 0 H LEU A 80 0.898 4.990 -6.012 1.00 0.00 H new ATOM 0 HA LEU A 80 2.005 3.220 -4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.104 5.636 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.356 5.752 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 80 0.347 4.597 -1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.440 4.250 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.355 3.225 -1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.382 4.678 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.323 6.475 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.167 7.053 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.389 7.064 -1.736 1.00 0.00 H new ATOM 1254 N ALA A 81 -1.314 3.405 -4.204 1.00 0.00 N ATOM 1255 CA ALA A 81 -2.583 2.753 -3.840 1.00 0.00 C ATOM 1256 C ALA A 81 -2.684 1.343 -4.451 1.00 0.00 C ATOM 1257 O ALA A 81 -3.340 0.464 -3.893 1.00 0.00 O ATOM 1258 CB ALA A 81 -3.771 3.624 -4.287 1.00 0.00 C ATOM 0 H ALA A 81 -1.439 4.246 -4.768 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.611 2.645 -2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.705 3.133 -4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.714 4.596 -3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.736 3.760 -5.368 1.00 0.00 H new ATOM 1264 N ALA A 82 -1.990 1.137 -5.589 1.00 0.00 N ATOM 1265 CA ALA A 82 -1.963 -0.148 -6.291 1.00 0.00 C ATOM 1266 C ALA A 82 -1.140 -1.181 -5.508 1.00 0.00 C ATOM 1267 O ALA A 82 -1.635 -2.272 -5.257 1.00 0.00 O ATOM 1268 CB ALA A 82 -1.427 0.015 -7.713 1.00 0.00 C ATOM 0 H ALA A 82 -1.434 1.862 -6.042 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.987 -0.515 -6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.418 -0.954 -8.212 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.067 0.702 -8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.413 0.414 -7.676 1.00 0.00 H new ATOM 1274 N ARG A 83 0.102 -0.813 -5.084 1.00 0.00 N ATOM 1275 CA ARG A 83 0.959 -1.726 -4.277 1.00 0.00 C ATOM 1276 C ARG A 83 0.283 -2.068 -2.950 1.00 0.00 C ATOM 1277 O ARG A 83 0.328 -3.215 -2.523 1.00 0.00 O ATOM 1278 CB ARG A 83 2.376 -1.169 -3.964 1.00 0.00 C ATOM 1279 CG ARG A 83 3.403 -1.190 -5.129 1.00 0.00 C ATOM 1280 CD ARG A 83 3.391 0.086 -5.985 1.00 0.00 C ATOM 1281 NE ARG A 83 3.454 1.319 -5.166 1.00 0.00 N ATOM 1282 CZ ARG A 83 4.455 1.670 -4.338 1.00 0.00 C ATOM 1283 NH1 ARG A 83 5.533 0.928 -4.221 1.00 0.00 N ATOM 1284 NH2 ARG A 83 4.372 2.776 -3.634 1.00 0.00 N ATOM 0 H ARG A 83 0.525 0.093 -5.284 1.00 0.00 H new ATOM 0 HA ARG A 83 1.084 -2.610 -4.902 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.270 -0.140 -3.622 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.791 -1.740 -3.133 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.403 -1.332 -4.718 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.196 -2.048 -5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.237 0.067 -6.672 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.487 0.103 -6.593 1.00 0.00 H new ATOM 0 HE ARG A 83 2.665 1.962 -5.236 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.622 0.069 -4.763 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.281 1.211 -3.588 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.547 3.371 -3.714 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.132 3.040 -3.007 1.00 0.00 H new ATOM 1298 N ILE A 84 -0.348 -1.058 -2.330 1.00 0.00 N ATOM 1299 CA ILE A 84 -1.037 -1.210 -1.034 1.00 0.00 C ATOM 1300 C ILE A 84 -2.130 -2.285 -1.156 1.00 0.00 C ATOM 1301 O ILE A 84 -2.185 -3.224 -0.362 1.00 0.00 O ATOM 1302 CB ILE A 84 -1.677 0.148 -0.571 1.00 0.00 C ATOM 1303 CG1 ILE A 84 -0.589 1.249 -0.384 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -2.512 -0.024 0.722 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -1.141 2.663 -0.309 1.00 0.00 C ATOM 0 H ILE A 84 -0.396 -0.113 -2.711 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.303 -1.512 -0.287 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.355 0.470 -1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.030 1.040 0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.118 1.190 -1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.938 0.937 1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.316 -0.739 0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.871 -0.391 1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.320 3.368 -0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.675 2.894 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.825 2.742 0.536 1.00 0.00 H new ATOM 1317 N ASP A 85 -2.952 -2.142 -2.210 1.00 0.00 N ATOM 1318 CA ASP A 85 -4.070 -3.048 -2.507 1.00 0.00 C ATOM 1319 C ASP A 85 -3.552 -4.466 -2.850 1.00 0.00 C ATOM 1320 O ASP A 85 -4.107 -5.463 -2.393 1.00 0.00 O ATOM 1321 CB ASP A 85 -4.910 -2.456 -3.666 1.00 0.00 C ATOM 1322 CG ASP A 85 -6.259 -3.166 -3.872 1.00 0.00 C ATOM 1323 OD1 ASP A 85 -6.321 -4.164 -4.624 1.00 0.00 O ATOM 1324 OD2 ASP A 85 -7.268 -2.723 -3.284 1.00 0.00 O ATOM 0 H ASP A 85 -2.856 -1.384 -2.886 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.705 -3.143 -1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.091 -1.399 -3.470 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.333 -2.515 -4.589 1.00 0.00 H new ATOM 1329 N GLU A 86 -2.456 -4.533 -3.627 1.00 0.00 N ATOM 1330 CA GLU A 86 -1.789 -5.804 -3.990 1.00 0.00 C ATOM 1331 C GLU A 86 -1.245 -6.524 -2.737 1.00 0.00 C ATOM 1332 O GLU A 86 -1.210 -7.751 -2.689 1.00 0.00 O ATOM 1333 CB GLU A 86 -0.639 -5.548 -5.004 1.00 0.00 C ATOM 1334 CG GLU A 86 -1.087 -5.120 -6.420 1.00 0.00 C ATOM 1335 CD GLU A 86 -1.858 -6.207 -7.190 1.00 0.00 C ATOM 1336 OE1 GLU A 86 -1.216 -7.159 -7.689 1.00 0.00 O ATOM 1337 OE2 GLU A 86 -3.097 -6.117 -7.311 1.00 0.00 O ATOM 0 H GLU A 86 -2.005 -3.709 -4.023 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.532 -6.449 -4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.014 -4.775 -4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.043 -6.457 -5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.715 -4.233 -6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.207 -4.835 -6.997 1.00 0.00 H new ATOM 1344 N LEU A 87 -0.837 -5.746 -1.725 1.00 0.00 N ATOM 1345 CA LEU A 87 -0.299 -6.283 -0.459 1.00 0.00 C ATOM 1346 C LEU A 87 -1.425 -6.610 0.541 1.00 0.00 C ATOM 1347 O LEU A 87 -1.232 -7.428 1.451 1.00 0.00 O ATOM 1348 CB LEU A 87 0.731 -5.296 0.136 1.00 0.00 C ATOM 1349 CG LEU A 87 2.022 -5.077 -0.725 1.00 0.00 C ATOM 1350 CD1 LEU A 87 2.961 -4.036 -0.082 1.00 0.00 C ATOM 1351 CD2 LEU A 87 2.748 -6.417 -0.997 1.00 0.00 C ATOM 0 H LEU A 87 -0.869 -4.727 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 87 0.211 -7.223 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.244 -4.332 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.028 -5.656 1.121 1.00 0.00 H new ATOM 0 HG LEU A 87 1.712 -4.674 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.846 -3.910 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.440 -3.082 0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.261 -4.379 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.640 -6.233 -1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.035 -6.874 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.081 -7.089 -1.536 1.00 0.00 H new ATOM 1363 N VAL A 88 -2.600 -5.981 0.355 1.00 0.00 N ATOM 1364 CA VAL A 88 -3.841 -6.377 1.054 1.00 0.00 C ATOM 1365 C VAL A 88 -4.209 -7.799 0.591 1.00 0.00 C ATOM 1366 O VAL A 88 -4.509 -8.677 1.409 1.00 0.00 O ATOM 1367 CB VAL A 88 -5.026 -5.357 0.775 1.00 0.00 C ATOM 1368 CG1 VAL A 88 -6.404 -5.900 1.252 1.00 0.00 C ATOM 1369 CG2 VAL A 88 -4.734 -3.975 1.422 1.00 0.00 C ATOM 0 H VAL A 88 -2.718 -5.190 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.676 -6.362 2.131 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.084 -5.235 -0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.179 -5.164 1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.630 -6.829 0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.369 -6.088 2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.561 -3.295 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.622 -4.094 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.814 -3.565 1.005 1.00 0.00 H new ATOM 1379 N ALA A 89 -4.091 -8.023 -0.734 1.00 0.00 N ATOM 1380 CA ALA A 89 -4.350 -9.323 -1.362 1.00 0.00 C ATOM 1381 C ALA A 89 -3.300 -10.354 -0.930 1.00 0.00 C ATOM 1382 O ALA A 89 -3.644 -11.468 -0.556 1.00 0.00 O ATOM 1383 CB ALA A 89 -4.369 -9.195 -2.892 1.00 0.00 C ATOM 0 H ALA A 89 -3.812 -7.300 -1.397 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.330 -9.666 -1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.563 -10.171 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.153 -8.499 -3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.404 -8.824 -3.238 1.00 0.00 H new ATOM 1389 N ALA A 90 -2.019 -9.955 -0.965 1.00 0.00 N ATOM 1390 CA ALA A 90 -0.886 -10.834 -0.614 1.00 0.00 C ATOM 1391 C ALA A 90 -0.984 -11.351 0.835 1.00 0.00 C ATOM 1392 O ALA A 90 -0.515 -12.448 1.135 1.00 0.00 O ATOM 1393 CB ALA A 90 0.437 -10.101 -0.861 1.00 0.00 C ATOM 0 H ALA A 90 -1.736 -9.014 -1.237 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.924 -11.713 -1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.269 -10.755 -0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.509 -9.824 -1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.475 -9.202 -0.246 1.00 0.00 H new