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+ 179:sc= 0.664 (180deg=-0.00776) USER MOD Set 1.2: A 79 ASN : amide:sc= 0.107 K(o=0.77,f=-8.1!) USER MOD Set 2.1: A 28 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-8.8!) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= -0.0356 USER MOD Set 3.1: A 24 THR OG1 : rot -34:sc= 1.06 USER MOD Set 3.2: A 27 SER OG : rot -84:sc= 1.75 USER MOD Single : A 4 THR OG1 : rot 26:sc= 0.082 USER MOD Single : A 10 THR OG1 : rot 70:sc= 1 USER MOD Single : A 15 THR OG1 : rot 71:sc= 1.26 USER MOD Single : A 16 CYS SG : rot -60:sc= -3.14! USER MOD Single : A 22 THR OG1 : rot -13:sc= 1.14 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+ -125:sc= 0.817 (180deg=0.241) USER MOD Single : A 61 THR OG1 : rot 64:sc= 0.928 USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 65 ASN : amide:sc= 0.833 K(o=0.83,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -146:sc= 0.00897 (180deg=-0.0721) USER MOD Single : A 70 THR OG1 : rot 110:sc= -0.178 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0.029) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 -8.532 2.432 -2.430 1.00 0.00 N ATOM 46 CA THR A 4 -7.259 2.477 -1.689 1.00 0.00 C ATOM 47 C THR A 4 -6.632 3.879 -1.837 1.00 0.00 C ATOM 48 O THR A 4 -6.090 4.418 -0.874 1.00 0.00 O ATOM 49 CB THR A 4 -6.269 1.370 -2.181 1.00 0.00 C ATOM 50 OG1 THR A 4 -6.905 0.079 -2.088 1.00 0.00 O ATOM 51 CG2 THR A 4 -4.956 1.353 -1.369 1.00 0.00 C ATOM 0 HA THR A 4 -7.461 2.280 -0.636 1.00 0.00 H new ATOM 0 HB THR A 4 -6.014 1.597 -3.216 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.877 0.189 -2.141 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.303 0.567 -1.749 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.457 2.317 -1.464 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.180 1.162 -0.319 1.00 0.00 H new ATOM 59 N PHE A 5 -6.779 4.473 -3.045 1.00 0.00 N ATOM 60 CA PHE A 5 -6.366 5.864 -3.335 1.00 0.00 C ATOM 61 C PHE A 5 -7.028 6.863 -2.365 1.00 0.00 C ATOM 62 O PHE A 5 -6.341 7.700 -1.794 1.00 0.00 O ATOM 63 CB PHE A 5 -6.697 6.253 -4.816 1.00 0.00 C ATOM 64 CG PHE A 5 -6.732 7.773 -5.074 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.567 8.535 -5.046 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.951 8.447 -5.269 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.613 9.908 -5.202 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.987 9.819 -5.438 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.819 10.549 -5.397 1.00 0.00 C ATOM 0 H PHE A 5 -7.189 3.997 -3.848 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.286 5.915 -3.194 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.955 5.800 -5.474 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.664 5.827 -5.085 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.615 8.047 -4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.873 7.885 -5.287 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.699 10.482 -5.171 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.930 10.318 -5.602 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.848 11.622 -5.517 1.00 0.00 H new ATOM 79 N ASP A 6 -8.364 6.775 -2.226 1.00 0.00 N ATOM 80 CA ASP A 6 -9.165 7.736 -1.422 1.00 0.00 C ATOM 81 C ASP A 6 -8.721 7.760 0.043 1.00 0.00 C ATOM 82 O ASP A 6 -8.622 8.835 0.651 1.00 0.00 O ATOM 83 CB ASP A 6 -10.672 7.404 -1.508 1.00 0.00 C ATOM 84 CG ASP A 6 -11.247 7.683 -2.897 1.00 0.00 C ATOM 85 OD1 ASP A 6 -11.259 8.858 -3.307 1.00 0.00 O ATOM 86 OD2 ASP A 6 -11.663 6.739 -3.593 1.00 0.00 O ATOM 0 H ASP A 6 -8.923 6.042 -2.663 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.993 8.726 -1.844 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.826 6.354 -1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.215 7.992 -0.767 1.00 0.00 H new ATOM 91 N ARG A 7 -8.455 6.562 0.580 1.00 0.00 N ATOM 92 CA ARG A 7 -7.979 6.383 1.961 1.00 0.00 C ATOM 93 C ARG A 7 -6.559 6.941 2.142 1.00 0.00 C ATOM 94 O ARG A 7 -6.296 7.636 3.123 1.00 0.00 O ATOM 95 CB ARG A 7 -8.076 4.884 2.373 1.00 0.00 C ATOM 96 CG ARG A 7 -9.525 4.423 2.650 1.00 0.00 C ATOM 97 CD ARG A 7 -10.114 5.120 3.895 1.00 0.00 C ATOM 98 NE ARG A 7 -11.573 4.910 4.035 1.00 0.00 N ATOM 99 CZ ARG A 7 -12.205 4.521 5.158 1.00 0.00 C ATOM 100 NH1 ARG A 7 -11.511 4.151 6.235 1.00 0.00 N ATOM 101 NH2 ARG A 7 -13.540 4.503 5.198 1.00 0.00 N ATOM 0 H ARG A 7 -8.564 5.686 0.069 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.624 6.955 2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.650 4.268 1.581 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.472 4.719 3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -10.148 4.639 1.782 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.543 3.343 2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.611 4.746 4.787 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.909 6.189 3.838 1.00 0.00 H new ATOM 0 HE ARG A 7 -12.149 5.074 3.209 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.491 4.161 6.213 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -12.000 3.858 7.081 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -14.079 4.784 4.379 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -14.021 4.209 6.048 1.00 0.00 H new ATOM 115 N VAL A 8 -5.669 6.669 1.168 1.00 0.00 N ATOM 116 CA VAL A 8 -4.288 7.220 1.142 1.00 0.00 C ATOM 117 C VAL A 8 -4.320 8.757 1.068 1.00 0.00 C ATOM 118 O VAL A 8 -3.567 9.431 1.761 1.00 0.00 O ATOM 119 CB VAL A 8 -3.470 6.626 -0.073 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.116 7.354 -0.297 1.00 0.00 C ATOM 121 CG2 VAL A 8 -3.253 5.113 0.133 1.00 0.00 C ATOM 0 H VAL A 8 -5.881 6.063 0.375 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.789 6.928 2.066 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.059 6.789 -0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.597 6.905 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.300 8.409 -0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.500 7.260 0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.689 4.709 -0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.698 4.947 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.219 4.612 0.196 1.00 0.00 H new ATOM 131 N ALA A 9 -5.243 9.274 0.250 1.00 0.00 N ATOM 132 CA ALA A 9 -5.430 10.712 -0.001 1.00 0.00 C ATOM 133 C ALA A 9 -5.864 11.445 1.278 1.00 0.00 C ATOM 134 O ALA A 9 -5.369 12.538 1.579 1.00 0.00 O ATOM 135 CB ALA A 9 -6.473 10.904 -1.114 1.00 0.00 C ATOM 0 H ALA A 9 -5.899 8.691 -0.270 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.479 11.140 -0.319 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.613 11.969 -1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.126 10.417 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.420 10.462 -0.805 1.00 0.00 H new ATOM 141 N THR A 10 -6.800 10.815 2.009 1.00 0.00 N ATOM 142 CA THR A 10 -7.281 11.302 3.309 1.00 0.00 C ATOM 143 C THR A 10 -6.136 11.305 4.340 1.00 0.00 C ATOM 144 O THR A 10 -5.942 12.290 5.053 1.00 0.00 O ATOM 145 CB THR A 10 -8.480 10.431 3.820 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.515 10.405 2.818 1.00 0.00 O ATOM 147 CG2 THR A 10 -9.065 10.955 5.145 1.00 0.00 C ATOM 0 H THR A 10 -7.246 9.948 1.710 1.00 0.00 H new ATOM 0 HA THR A 10 -7.634 12.325 3.182 1.00 0.00 H new ATOM 0 HB THR A 10 -8.099 9.427 4.004 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.213 9.877 2.049 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.892 10.317 5.455 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.292 10.946 5.913 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.426 11.974 5.006 1.00 0.00 H new ATOM 155 N ILE A 11 -5.349 10.207 4.357 1.00 0.00 N ATOM 156 CA ILE A 11 -4.175 10.068 5.244 1.00 0.00 C ATOM 157 C ILE A 11 -3.155 11.189 4.965 1.00 0.00 C ATOM 158 O ILE A 11 -2.691 11.834 5.890 1.00 0.00 O ATOM 159 CB ILE A 11 -3.503 8.644 5.098 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.458 7.535 5.649 1.00 0.00 C ATOM 161 CG2 ILE A 11 -2.115 8.574 5.792 1.00 0.00 C ATOM 162 CD1 ILE A 11 -3.981 6.103 5.440 1.00 0.00 C ATOM 0 H ILE A 11 -5.509 9.396 3.759 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.520 10.161 6.274 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.334 8.470 4.035 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.602 7.700 6.717 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.433 7.649 5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.694 7.577 5.664 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.447 9.310 5.345 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.229 8.786 6.855 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.713 5.411 5.857 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.866 5.910 4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.023 5.962 5.940 1.00 0.00 H new ATOM 174 N ILE A 12 -2.886 11.456 3.676 1.00 0.00 N ATOM 175 CA ILE A 12 -1.872 12.439 3.242 1.00 0.00 C ATOM 176 C ILE A 12 -2.290 13.864 3.653 1.00 0.00 C ATOM 177 O ILE A 12 -1.461 14.663 4.129 1.00 0.00 O ATOM 178 CB ILE A 12 -1.649 12.329 1.680 1.00 0.00 C ATOM 179 CG1 ILE A 12 -0.854 11.030 1.345 1.00 0.00 C ATOM 180 CG2 ILE A 12 -0.978 13.579 1.068 1.00 0.00 C ATOM 181 CD1 ILE A 12 -0.535 10.833 -0.122 1.00 0.00 C ATOM 0 H ILE A 12 -3.365 10.996 2.902 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.926 12.219 3.737 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.635 12.273 1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.080 11.040 1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.427 10.171 1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.855 13.437 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.604 14.453 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.002 13.730 1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.019 9.903 -0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.462 10.786 -0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.069 11.668 -0.478 1.00 0.00 H new ATOM 193 N ALA A 13 -3.585 14.158 3.462 1.00 0.00 N ATOM 194 CA ALA A 13 -4.198 15.426 3.878 1.00 0.00 C ATOM 195 C ALA A 13 -4.028 15.677 5.391 1.00 0.00 C ATOM 196 O ALA A 13 -3.572 16.745 5.797 1.00 0.00 O ATOM 197 CB ALA A 13 -5.688 15.440 3.487 1.00 0.00 C ATOM 0 H ALA A 13 -4.239 13.518 3.012 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.684 16.235 3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.137 16.383 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.782 15.333 2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.201 14.614 3.979 1.00 0.00 H new ATOM 203 N GLU A 14 -4.382 14.671 6.213 1.00 0.00 N ATOM 204 CA GLU A 14 -4.350 14.787 7.688 1.00 0.00 C ATOM 205 C GLU A 14 -2.913 14.749 8.249 1.00 0.00 C ATOM 206 O GLU A 14 -2.653 15.306 9.324 1.00 0.00 O ATOM 207 CB GLU A 14 -5.212 13.671 8.344 1.00 0.00 C ATOM 208 CG GLU A 14 -6.673 13.599 7.842 1.00 0.00 C ATOM 209 CD GLU A 14 -7.424 14.944 7.917 1.00 0.00 C ATOM 210 OE1 GLU A 14 -8.020 15.255 8.975 1.00 0.00 O ATOM 211 OE2 GLU A 14 -7.423 15.700 6.915 1.00 0.00 O ATOM 0 H GLU A 14 -4.697 13.760 5.879 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.772 15.760 7.939 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.733 12.709 8.164 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.221 13.825 9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.676 13.249 6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.214 12.858 8.431 1.00 0.00 H new ATOM 218 N THR A 15 -1.987 14.089 7.526 1.00 0.00 N ATOM 219 CA THR A 15 -0.592 13.906 7.985 1.00 0.00 C ATOM 220 C THR A 15 0.286 15.144 7.688 1.00 0.00 C ATOM 221 O THR A 15 0.909 15.700 8.603 1.00 0.00 O ATOM 222 CB THR A 15 0.053 12.637 7.336 1.00 0.00 C ATOM 223 OG1 THR A 15 -0.723 11.479 7.676 1.00 0.00 O ATOM 224 CG2 THR A 15 1.500 12.404 7.793 1.00 0.00 C ATOM 0 H THR A 15 -2.180 13.671 6.616 1.00 0.00 H new ATOM 0 HA THR A 15 -0.636 13.773 9.066 1.00 0.00 H new ATOM 0 HB THR A 15 0.065 12.805 6.259 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.578 11.506 7.197 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.895 11.510 7.310 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.111 13.264 7.519 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.523 12.272 8.875 1.00 0.00 H new ATOM 232 N CYS A 16 0.318 15.580 6.415 1.00 0.00 N ATOM 233 CA CYS A 16 1.265 16.615 5.935 1.00 0.00 C ATOM 234 C CYS A 16 0.540 17.901 5.484 1.00 0.00 C ATOM 235 O CYS A 16 1.174 18.771 4.880 1.00 0.00 O ATOM 236 CB CYS A 16 2.134 16.033 4.791 1.00 0.00 C ATOM 237 SG CYS A 16 3.128 14.617 5.296 1.00 0.00 S ATOM 0 H CYS A 16 -0.307 15.229 5.690 1.00 0.00 H new ATOM 0 HA CYS A 16 1.910 16.898 6.767 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.485 15.737 3.967 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.794 16.814 4.412 1.00 0.00 H new ATOM 0 HG CYS A 16 3.933 14.971 6.253 1.00 0.00 H new ATOM 243 N ASP A 17 -0.775 18.013 5.798 1.00 0.00 N ATOM 244 CA ASP A 17 -1.596 19.214 5.496 1.00 0.00 C ATOM 245 C ASP A 17 -1.589 19.518 3.980 1.00 0.00 C ATOM 246 O ASP A 17 -1.286 20.628 3.539 1.00 0.00 O ATOM 247 CB ASP A 17 -1.125 20.426 6.376 1.00 0.00 C ATOM 248 CG ASP A 17 -1.998 21.693 6.229 1.00 0.00 C ATOM 249 OD1 ASP A 17 -3.200 21.644 6.558 1.00 0.00 O ATOM 250 OD2 ASP A 17 -1.483 22.751 5.789 1.00 0.00 O ATOM 0 H ASP A 17 -1.297 17.273 6.268 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.636 19.020 5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.121 20.121 7.422 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.097 20.674 6.112 1.00 0.00 H new ATOM 255 N ILE A 18 -1.896 18.481 3.179 1.00 0.00 N ATOM 256 CA ILE A 18 -1.945 18.591 1.709 1.00 0.00 C ATOM 257 C ILE A 18 -3.411 18.759 1.250 1.00 0.00 C ATOM 258 O ILE A 18 -4.247 17.903 1.579 1.00 0.00 O ATOM 259 CB ILE A 18 -1.295 17.337 1.015 1.00 0.00 C ATOM 260 CG1 ILE A 18 0.121 17.033 1.608 1.00 0.00 C ATOM 261 CG2 ILE A 18 -1.215 17.532 -0.521 1.00 0.00 C ATOM 262 CD1 ILE A 18 1.163 18.124 1.408 1.00 0.00 C ATOM 0 H ILE A 18 -2.116 17.549 3.530 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.368 19.467 1.412 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.936 16.478 1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.016 16.847 2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.494 16.112 1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.762 16.651 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.218 17.673 -0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.608 18.409 -0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.107 17.812 1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.307 18.298 0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.822 19.044 1.883 1.00 0.00 H new ATOM 274 N PRO A 19 -3.753 19.877 0.517 1.00 0.00 N ATOM 275 CA PRO A 19 -5.133 20.129 0.034 1.00 0.00 C ATOM 276 C PRO A 19 -5.636 19.000 -0.890 1.00 0.00 C ATOM 277 O PRO A 19 -4.937 18.624 -1.838 1.00 0.00 O ATOM 278 CB PRO A 19 -5.019 21.485 -0.735 1.00 0.00 C ATOM 279 CG PRO A 19 -3.766 22.117 -0.218 1.00 0.00 C ATOM 280 CD PRO A 19 -2.831 20.978 0.108 1.00 0.00 C ATOM 0 HA PRO A 19 -5.855 20.165 0.850 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.965 21.325 -1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.886 22.118 -0.550 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.328 22.781 -0.963 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.969 22.721 0.667 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.226 20.696 -0.754 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.141 21.242 0.909 1.00 0.00 H new ATOM 288 N ARG A 20 -6.835 18.456 -0.597 1.00 0.00 N ATOM 289 CA ARG A 20 -7.448 17.369 -1.394 1.00 0.00 C ATOM 290 C ARG A 20 -7.689 17.790 -2.868 1.00 0.00 C ATOM 291 O ARG A 20 -7.694 16.941 -3.767 1.00 0.00 O ATOM 292 CB ARG A 20 -8.772 16.880 -0.728 1.00 0.00 C ATOM 293 CG ARG A 20 -9.424 15.666 -1.430 1.00 0.00 C ATOM 294 CD ARG A 20 -8.509 14.425 -1.440 1.00 0.00 C ATOM 295 NE ARG A 20 -8.983 13.397 -2.388 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.658 12.281 -2.073 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.955 11.977 -0.808 1.00 0.00 N ATOM 298 NH2 ARG A 20 -10.029 11.462 -3.047 1.00 0.00 N ATOM 0 H ARG A 20 -7.405 18.755 0.195 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.741 16.539 -1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.568 16.619 0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.485 17.704 -0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.359 15.419 -0.927 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.675 15.936 -2.456 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.495 14.724 -1.706 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.463 14.000 -0.437 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.778 13.550 -3.375 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.668 12.600 -0.053 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.469 11.122 -0.596 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.801 11.685 -4.016 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.543 10.609 -2.828 1.00 0.00 H new ATOM 312 N GLU A 21 -7.843 19.106 -3.105 1.00 0.00 N ATOM 313 CA GLU A 21 -8.032 19.672 -4.460 1.00 0.00 C ATOM 314 C GLU A 21 -6.769 19.496 -5.333 1.00 0.00 C ATOM 315 O GLU A 21 -6.870 19.352 -6.557 1.00 0.00 O ATOM 316 CB GLU A 21 -8.424 21.171 -4.357 1.00 0.00 C ATOM 317 CG GLU A 21 -7.396 22.054 -3.617 1.00 0.00 C ATOM 318 CD GLU A 21 -7.830 23.521 -3.506 1.00 0.00 C ATOM 319 OE1 GLU A 21 -7.674 24.270 -4.497 1.00 0.00 O ATOM 320 OE2 GLU A 21 -8.345 23.925 -2.442 1.00 0.00 O ATOM 0 H GLU A 21 -7.840 19.809 -2.366 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.840 19.125 -4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.566 21.566 -5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.384 21.248 -3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.235 21.653 -2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.440 22.003 -4.139 1.00 0.00 H new ATOM 327 N THR A 22 -5.582 19.513 -4.690 1.00 0.00 N ATOM 328 CA THR A 22 -4.292 19.289 -5.375 1.00 0.00 C ATOM 329 C THR A 22 -3.940 17.779 -5.402 1.00 0.00 C ATOM 330 O THR A 22 -3.016 17.358 -6.111 1.00 0.00 O ATOM 331 CB THR A 22 -3.144 20.129 -4.702 1.00 0.00 C ATOM 332 OG1 THR A 22 -2.977 19.764 -3.322 1.00 0.00 O ATOM 333 CG2 THR A 22 -3.433 21.643 -4.791 1.00 0.00 C ATOM 0 H THR A 22 -5.491 19.681 -3.688 1.00 0.00 H new ATOM 0 HA THR A 22 -4.391 19.629 -6.406 1.00 0.00 H new ATOM 0 HB THR A 22 -2.226 19.908 -5.247 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.745 19.231 -3.029 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.622 22.197 -4.317 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.511 21.938 -5.838 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.370 21.865 -4.281 1.00 0.00 H new ATOM 341 N ILE A 23 -4.702 16.978 -4.626 1.00 0.00 N ATOM 342 CA ILE A 23 -4.559 15.516 -4.563 1.00 0.00 C ATOM 343 C ILE A 23 -5.432 14.858 -5.663 1.00 0.00 C ATOM 344 O ILE A 23 -6.667 14.947 -5.632 1.00 0.00 O ATOM 345 CB ILE A 23 -4.960 14.978 -3.136 1.00 0.00 C ATOM 346 CG1 ILE A 23 -3.964 15.487 -2.036 1.00 0.00 C ATOM 347 CG2 ILE A 23 -5.065 13.440 -3.119 1.00 0.00 C ATOM 348 CD1 ILE A 23 -4.312 15.064 -0.611 1.00 0.00 C ATOM 0 H ILE A 23 -5.440 17.337 -4.021 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.515 15.255 -4.737 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.947 15.377 -2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.965 15.123 -2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.925 16.576 -2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.343 13.105 -2.120 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.823 13.119 -3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.103 13.007 -3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.568 15.462 0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.296 15.451 -0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.321 13.976 -0.546 1.00 0.00 H new ATOM 360 N THR A 24 -4.764 14.220 -6.632 1.00 0.00 N ATOM 361 CA THR A 24 -5.390 13.476 -7.742 1.00 0.00 C ATOM 362 C THR A 24 -4.694 12.095 -7.869 1.00 0.00 C ATOM 363 O THR A 24 -3.607 11.924 -7.308 1.00 0.00 O ATOM 364 CB THR A 24 -5.272 14.281 -9.096 1.00 0.00 C ATOM 365 OG1 THR A 24 -3.895 14.467 -9.468 1.00 0.00 O ATOM 366 CG2 THR A 24 -5.964 15.656 -9.025 1.00 0.00 C ATOM 0 H THR A 24 -3.745 14.204 -6.670 1.00 0.00 H new ATOM 0 HA THR A 24 -6.451 13.337 -7.533 1.00 0.00 H new ATOM 0 HB THR A 24 -5.780 13.681 -9.851 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.349 14.573 -8.661 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.854 16.169 -9.981 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.023 15.519 -8.806 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.505 16.254 -8.238 1.00 0.00 H new ATOM 374 N PRO A 25 -5.311 11.068 -8.556 1.00 0.00 N ATOM 375 CA PRO A 25 -4.653 9.756 -8.810 1.00 0.00 C ATOM 376 C PRO A 25 -3.224 9.878 -9.390 1.00 0.00 C ATOM 377 O PRO A 25 -2.321 9.149 -8.973 1.00 0.00 O ATOM 378 CB PRO A 25 -5.602 9.069 -9.814 1.00 0.00 C ATOM 379 CG PRO A 25 -6.948 9.629 -9.486 1.00 0.00 C ATOM 380 CD PRO A 25 -6.708 11.068 -9.068 1.00 0.00 C ATOM 0 HA PRO A 25 -4.509 9.199 -7.884 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.319 9.288 -10.844 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.583 7.985 -9.702 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.613 9.578 -10.348 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.422 9.063 -8.684 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.825 11.752 -9.908 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.414 11.383 -8.300 1.00 0.00 H new ATOM 388 N GLU A 26 -3.013 10.863 -10.291 1.00 0.00 N ATOM 389 CA GLU A 26 -1.729 11.037 -11.011 1.00 0.00 C ATOM 390 C GLU A 26 -0.788 12.008 -10.262 1.00 0.00 C ATOM 391 O GLU A 26 0.256 12.398 -10.804 1.00 0.00 O ATOM 392 CB GLU A 26 -1.984 11.548 -12.455 1.00 0.00 C ATOM 393 CG GLU A 26 -2.822 10.609 -13.340 1.00 0.00 C ATOM 394 CD GLU A 26 -3.066 11.184 -14.743 1.00 0.00 C ATOM 395 OE1 GLU A 26 -2.238 10.952 -15.649 1.00 0.00 O ATOM 396 OE2 GLU A 26 -4.074 11.892 -14.943 1.00 0.00 O ATOM 0 H GLU A 26 -3.720 11.555 -10.539 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.240 10.064 -11.058 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.486 12.514 -12.399 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.022 11.717 -12.939 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.314 9.649 -13.428 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.781 10.419 -12.857 1.00 0.00 H new ATOM 403 N SER A 27 -1.137 12.363 -9.008 1.00 0.00 N ATOM 404 CA SER A 27 -0.305 13.256 -8.181 1.00 0.00 C ATOM 405 C SER A 27 0.905 12.480 -7.670 1.00 0.00 C ATOM 406 O SER A 27 0.763 11.365 -7.156 1.00 0.00 O ATOM 407 CB SER A 27 -1.093 13.842 -6.984 1.00 0.00 C ATOM 408 OG SER A 27 -2.040 14.799 -7.413 1.00 0.00 O ATOM 0 H SER A 27 -1.990 12.044 -8.548 1.00 0.00 H new ATOM 0 HA SER A 27 0.013 14.093 -8.803 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.601 13.038 -6.451 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.400 14.303 -6.280 1.00 0.00 H new ATOM 0 HG SER A 27 -1.603 15.670 -7.512 1.00 0.00 H new ATOM 414 N HIS A 28 2.081 13.064 -7.843 1.00 0.00 N ATOM 415 CA HIS A 28 3.314 12.537 -7.285 1.00 0.00 C ATOM 416 C HIS A 28 3.440 13.097 -5.865 1.00 0.00 C ATOM 417 O HIS A 28 3.511 14.312 -5.705 1.00 0.00 O ATOM 418 CB HIS A 28 4.510 12.967 -8.155 1.00 0.00 C ATOM 419 CG HIS A 28 5.776 12.203 -7.875 1.00 0.00 C ATOM 420 ND1 HIS A 28 6.578 12.481 -6.799 1.00 0.00 N ATOM 421 CD2 HIS A 28 6.322 11.190 -8.572 1.00 0.00 C ATOM 422 CE1 HIS A 28 7.596 11.650 -6.889 1.00 0.00 C ATOM 423 NE2 HIS A 28 7.486 10.848 -7.953 1.00 0.00 N ATOM 0 H HIS A 28 2.206 13.923 -8.379 1.00 0.00 H new ATOM 0 HA HIS A 28 3.303 11.447 -7.261 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.246 12.841 -9.205 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.697 14.029 -7.999 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.912 10.732 -9.460 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.418 11.620 -6.189 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.143 10.124 -8.243 1.00 0.00 H new ATOM 431 N ALA A 29 3.412 12.230 -4.840 1.00 0.00 N ATOM 432 CA ALA A 29 3.523 12.628 -3.428 1.00 0.00 C ATOM 433 C ALA A 29 4.702 13.584 -3.170 1.00 0.00 C ATOM 434 O ALA A 29 4.551 14.578 -2.468 1.00 0.00 O ATOM 435 CB ALA A 29 3.636 11.377 -2.548 1.00 0.00 C ATOM 0 H ALA A 29 3.311 11.223 -4.970 1.00 0.00 H new ATOM 0 HA ALA A 29 2.619 13.179 -3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.718 11.674 -1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.749 10.757 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.521 10.809 -2.835 1.00 0.00 H new ATOM 441 N ILE A 30 5.844 13.345 -3.834 1.00 0.00 N ATOM 442 CA ILE A 30 7.094 14.054 -3.511 1.00 0.00 C ATOM 443 C ILE A 30 7.263 15.301 -4.406 1.00 0.00 C ATOM 444 O ILE A 30 7.620 16.377 -3.925 1.00 0.00 O ATOM 445 CB ILE A 30 8.338 13.094 -3.622 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.150 11.855 -2.679 1.00 0.00 C ATOM 447 CG2 ILE A 30 9.668 13.832 -3.318 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.340 10.912 -2.607 1.00 0.00 C ATOM 0 H ILE A 30 5.928 12.670 -4.594 1.00 0.00 H new ATOM 0 HA ILE A 30 7.034 14.391 -2.476 1.00 0.00 H new ATOM 0 HB ILE A 30 8.400 12.744 -4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.929 12.214 -1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.280 11.291 -3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.500 13.133 -3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.802 14.647 -4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.638 14.235 -2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.111 10.089 -1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.552 10.517 -3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.211 11.453 -2.239 1.00 0.00 H new ATOM 460 N ASP A 31 6.947 15.149 -5.699 1.00 0.00 N ATOM 461 CA ASP A 31 7.202 16.183 -6.731 1.00 0.00 C ATOM 462 C ASP A 31 6.009 17.154 -6.884 1.00 0.00 C ATOM 463 O ASP A 31 6.200 18.368 -6.996 1.00 0.00 O ATOM 464 CB ASP A 31 7.532 15.497 -8.083 1.00 0.00 C ATOM 465 CG ASP A 31 7.779 16.487 -9.235 1.00 0.00 C ATOM 466 OD1 ASP A 31 8.785 17.224 -9.183 1.00 0.00 O ATOM 467 OD2 ASP A 31 6.968 16.540 -10.189 1.00 0.00 O ATOM 0 H ASP A 31 6.506 14.306 -6.067 1.00 0.00 H new ATOM 0 HA ASP A 31 8.056 16.780 -6.410 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.416 14.872 -7.957 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.710 14.835 -8.355 1.00 0.00 H new ATOM 472 N ASP A 32 4.786 16.610 -6.883 1.00 0.00 N ATOM 473 CA ASP A 32 3.547 17.395 -7.107 1.00 0.00 C ATOM 474 C ASP A 32 2.998 17.941 -5.773 1.00 0.00 C ATOM 475 O ASP A 32 2.727 19.140 -5.647 1.00 0.00 O ATOM 476 CB ASP A 32 2.492 16.514 -7.831 1.00 0.00 C ATOM 477 CG ASP A 32 1.152 17.232 -8.074 1.00 0.00 C ATOM 478 OD1 ASP A 32 1.093 18.132 -8.940 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.149 16.905 -7.403 1.00 0.00 O ATOM 0 H ASP A 32 4.618 15.616 -6.728 1.00 0.00 H new ATOM 0 HA ASP A 32 3.778 18.251 -7.741 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.899 16.188 -8.788 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.312 15.617 -7.239 1.00 0.00 H new ATOM 484 N LEU A 33 2.854 17.047 -4.776 1.00 0.00 N ATOM 485 CA LEU A 33 2.302 17.394 -3.450 1.00 0.00 C ATOM 486 C LEU A 33 3.381 18.004 -2.524 1.00 0.00 C ATOM 487 O LEU A 33 3.054 18.510 -1.449 1.00 0.00 O ATOM 488 CB LEU A 33 1.672 16.141 -2.789 1.00 0.00 C ATOM 489 CG LEU A 33 0.570 15.403 -3.609 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.030 14.190 -2.825 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.567 16.365 -4.029 1.00 0.00 C ATOM 0 H LEU A 33 3.116 16.065 -4.866 1.00 0.00 H new ATOM 0 HA LEU A 33 1.529 18.148 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.470 15.431 -2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.244 16.439 -1.832 1.00 0.00 H new ATOM 0 HG LEU A 33 1.025 15.032 -4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.738 13.689 -3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.845 13.495 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.399 14.528 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.317 15.816 -4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.029 16.793 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.157 17.165 -4.646 1.00 0.00 H new ATOM 503 N GLY A 34 4.659 17.926 -2.953 1.00 0.00 N ATOM 504 CA GLY A 34 5.790 18.538 -2.229 1.00 0.00 C ATOM 505 C GLY A 34 6.079 17.910 -0.864 1.00 0.00 C ATOM 506 O GLY A 34 6.502 18.603 0.073 1.00 0.00 O ATOM 0 H GLY A 34 4.933 17.439 -3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.685 18.463 -2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.586 19.600 -2.091 1.00 0.00 H new ATOM 510 N ILE A 35 5.847 16.598 -0.759 1.00 0.00 N ATOM 511 CA ILE A 35 6.065 15.819 0.473 1.00 0.00 C ATOM 512 C ILE A 35 7.443 15.159 0.387 1.00 0.00 C ATOM 513 O ILE A 35 7.658 14.297 -0.461 1.00 0.00 O ATOM 514 CB ILE A 35 4.973 14.696 0.635 1.00 0.00 C ATOM 515 CG1 ILE A 35 3.534 15.295 0.552 1.00 0.00 C ATOM 516 CG2 ILE A 35 5.173 13.896 1.943 1.00 0.00 C ATOM 517 CD1 ILE A 35 2.439 14.255 0.392 1.00 0.00 C ATOM 0 H ILE A 35 5.498 16.036 -1.535 1.00 0.00 H new ATOM 0 HA ILE A 35 6.001 16.488 1.331 1.00 0.00 H new ATOM 0 HB ILE A 35 5.092 13.999 -0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.341 15.875 1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.488 15.988 -0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.402 13.130 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.155 13.423 1.934 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.103 14.571 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.470 14.752 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.605 13.690 -0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.455 13.576 1.244 1.00 0.00 H new ATOM 529 N ASP A 36 8.370 15.543 1.259 1.00 0.00 N ATOM 530 CA ASP A 36 9.747 15.021 1.213 1.00 0.00 C ATOM 531 C ASP A 36 9.878 13.746 2.056 1.00 0.00 C ATOM 532 O ASP A 36 8.874 13.226 2.554 1.00 0.00 O ATOM 533 CB ASP A 36 10.748 16.111 1.653 1.00 0.00 C ATOM 534 CG ASP A 36 10.867 17.233 0.613 1.00 0.00 C ATOM 535 OD1 ASP A 36 11.482 17.003 -0.451 1.00 0.00 O ATOM 536 OD2 ASP A 36 10.341 18.341 0.838 1.00 0.00 O ATOM 0 H ASP A 36 8.201 16.213 2.009 1.00 0.00 H new ATOM 0 HA ASP A 36 9.986 14.749 0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.430 16.532 2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.727 15.660 1.815 1.00 0.00 H new ATOM 541 N SER A 37 11.130 13.271 2.200 1.00 0.00 N ATOM 542 CA SER A 37 11.474 11.957 2.780 1.00 0.00 C ATOM 543 C SER A 37 10.780 11.673 4.127 1.00 0.00 C ATOM 544 O SER A 37 9.872 10.851 4.177 1.00 0.00 O ATOM 545 CB SER A 37 12.992 11.898 2.942 1.00 0.00 C ATOM 546 OG SER A 37 13.452 10.625 3.442 1.00 0.00 O ATOM 0 H SER A 37 11.951 13.803 1.909 1.00 0.00 H new ATOM 0 HA SER A 37 11.114 11.185 2.100 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.463 12.097 1.980 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.311 12.687 3.623 1.00 0.00 H new ATOM 0 HG SER A 37 14.428 10.640 3.525 1.00 0.00 H new ATOM 551 N LEU A 38 11.182 12.404 5.190 1.00 0.00 N ATOM 552 CA LEU A 38 10.703 12.177 6.583 1.00 0.00 C ATOM 553 C LEU A 38 9.169 12.267 6.678 1.00 0.00 C ATOM 554 O LEU A 38 8.531 11.488 7.399 1.00 0.00 O ATOM 555 CB LEU A 38 11.353 13.202 7.550 1.00 0.00 C ATOM 556 CG LEU A 38 12.910 13.172 7.626 1.00 0.00 C ATOM 557 CD1 LEU A 38 13.443 14.293 8.545 1.00 0.00 C ATOM 558 CD2 LEU A 38 13.435 11.778 8.055 1.00 0.00 C ATOM 0 H LEU A 38 11.849 13.171 5.112 1.00 0.00 H new ATOM 0 HA LEU A 38 10.999 11.169 6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.042 14.203 7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.956 13.031 8.551 1.00 0.00 H new ATOM 0 HG LEU A 38 13.294 13.360 6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.532 14.248 8.580 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.132 15.262 8.155 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.042 14.161 9.550 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.524 11.796 8.097 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.038 11.527 9.039 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.112 11.029 7.332 1.00 0.00 H new ATOM 570 N ASP A 39 8.603 13.212 5.908 1.00 0.00 N ATOM 571 CA ASP A 39 7.151 13.458 5.844 1.00 0.00 C ATOM 572 C ASP A 39 6.428 12.243 5.246 1.00 0.00 C ATOM 573 O ASP A 39 5.410 11.799 5.774 1.00 0.00 O ATOM 574 CB ASP A 39 6.857 14.727 5.003 1.00 0.00 C ATOM 575 CG ASP A 39 7.535 15.991 5.556 1.00 0.00 C ATOM 576 OD1 ASP A 39 8.730 16.221 5.256 1.00 0.00 O ATOM 577 OD2 ASP A 39 6.881 16.762 6.296 1.00 0.00 O ATOM 0 H ASP A 39 9.145 13.833 5.307 1.00 0.00 H new ATOM 0 HA ASP A 39 6.781 13.617 6.857 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.191 14.562 3.979 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.780 14.888 4.964 1.00 0.00 H new ATOM 582 N PHE A 40 7.002 11.680 4.161 1.00 0.00 N ATOM 583 CA PHE A 40 6.392 10.559 3.426 1.00 0.00 C ATOM 584 C PHE A 40 6.610 9.225 4.172 1.00 0.00 C ATOM 585 O PHE A 40 5.796 8.308 4.045 1.00 0.00 O ATOM 586 CB PHE A 40 6.943 10.465 1.977 1.00 0.00 C ATOM 587 CG PHE A 40 6.184 9.451 1.123 1.00 0.00 C ATOM 588 CD1 PHE A 40 4.889 9.724 0.687 1.00 0.00 C ATOM 589 CD2 PHE A 40 6.747 8.218 0.783 1.00 0.00 C ATOM 590 CE1 PHE A 40 4.181 8.801 -0.054 1.00 0.00 C ATOM 591 CE2 PHE A 40 6.034 7.299 0.037 1.00 0.00 C ATOM 592 CZ PHE A 40 4.754 7.590 -0.383 1.00 0.00 C ATOM 0 H PHE A 40 7.894 11.989 3.775 1.00 0.00 H new ATOM 0 HA PHE A 40 5.321 10.751 3.368 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.885 11.446 1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.997 10.189 2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.433 10.672 0.933 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.750 7.981 1.107 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.176 9.027 -0.377 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.481 6.350 -0.218 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.200 6.871 -0.969 1.00 0.00 H new ATOM 602 N LEU A 41 7.719 9.125 4.939 1.00 0.00 N ATOM 603 CA LEU A 41 7.993 7.957 5.810 1.00 0.00 C ATOM 604 C LEU A 41 6.883 7.856 6.868 1.00 0.00 C ATOM 605 O LEU A 41 6.344 6.782 7.126 1.00 0.00 O ATOM 606 CB LEU A 41 9.387 8.080 6.503 1.00 0.00 C ATOM 607 CG LEU A 41 10.632 8.116 5.560 1.00 0.00 C ATOM 608 CD1 LEU A 41 11.941 8.301 6.363 1.00 0.00 C ATOM 609 CD2 LEU A 41 10.692 6.867 4.653 1.00 0.00 C ATOM 0 H LEU A 41 8.443 9.843 4.973 1.00 0.00 H new ATOM 0 HA LEU A 41 8.009 7.056 5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.389 8.988 7.106 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.502 7.241 7.189 1.00 0.00 H new ATOM 0 HG LEU A 41 10.525 8.983 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.788 8.322 5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.899 9.239 6.917 1.00 0.00 H new ATOM 0 HD13 LEU A 41 12.060 7.473 7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.571 6.926 4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.754 5.971 5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.794 6.821 4.037 1.00 0.00 H new ATOM 621 N ASP A 42 6.525 9.031 7.416 1.00 0.00 N ATOM 622 CA ASP A 42 5.472 9.186 8.432 1.00 0.00 C ATOM 623 C ASP A 42 4.087 8.845 7.834 1.00 0.00 C ATOM 624 O ASP A 42 3.262 8.198 8.492 1.00 0.00 O ATOM 625 CB ASP A 42 5.503 10.630 8.996 1.00 0.00 C ATOM 626 CG ASP A 42 4.596 10.823 10.218 1.00 0.00 C ATOM 627 OD1 ASP A 42 4.922 10.284 11.298 1.00 0.00 O ATOM 628 OD2 ASP A 42 3.556 11.501 10.120 1.00 0.00 O ATOM 0 H ASP A 42 6.968 9.914 7.160 1.00 0.00 H new ATOM 0 HA ASP A 42 5.656 8.491 9.251 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.527 10.884 9.268 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.199 11.325 8.213 1.00 0.00 H new ATOM 633 N ILE A 43 3.858 9.267 6.567 1.00 0.00 N ATOM 634 CA ILE A 43 2.639 8.904 5.803 1.00 0.00 C ATOM 635 C ILE A 43 2.581 7.387 5.573 1.00 0.00 C ATOM 636 O ILE A 43 1.522 6.776 5.704 1.00 0.00 O ATOM 637 CB ILE A 43 2.561 9.631 4.403 1.00 0.00 C ATOM 638 CG1 ILE A 43 2.496 11.174 4.583 1.00 0.00 C ATOM 639 CG2 ILE A 43 1.356 9.125 3.557 1.00 0.00 C ATOM 640 CD1 ILE A 43 2.380 11.966 3.297 1.00 0.00 C ATOM 0 H ILE A 43 4.505 9.862 6.050 1.00 0.00 H new ATOM 0 HA ILE A 43 1.791 9.231 6.405 1.00 0.00 H new ATOM 0 HB ILE A 43 3.472 9.385 3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.643 11.415 5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.391 11.500 5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.337 9.649 2.601 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.459 8.054 3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.428 9.317 4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.342 13.031 3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.245 11.763 2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.470 11.675 2.772 1.00 0.00 H new ATOM 652 N ALA A 44 3.745 6.784 5.278 1.00 0.00 N ATOM 653 CA ALA A 44 3.842 5.368 4.898 1.00 0.00 C ATOM 654 C ALA A 44 3.603 4.470 6.121 1.00 0.00 C ATOM 655 O ALA A 44 3.060 3.387 5.996 1.00 0.00 O ATOM 656 CB ALA A 44 5.212 5.080 4.277 1.00 0.00 C ATOM 0 H ALA A 44 4.644 7.266 5.297 1.00 0.00 H new ATOM 0 HA ALA A 44 3.074 5.150 4.156 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.272 4.028 4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.346 5.698 3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.995 5.310 5.000 1.00 0.00 H new ATOM 662 N PHE A 45 4.013 4.960 7.306 1.00 0.00 N ATOM 663 CA PHE A 45 3.745 4.295 8.597 1.00 0.00 C ATOM 664 C PHE A 45 2.259 4.418 8.960 1.00 0.00 C ATOM 665 O PHE A 45 1.681 3.502 9.543 1.00 0.00 O ATOM 666 CB PHE A 45 4.652 4.869 9.727 1.00 0.00 C ATOM 667 CG PHE A 45 6.039 4.240 9.767 1.00 0.00 C ATOM 668 CD1 PHE A 45 6.178 2.905 10.140 1.00 0.00 C ATOM 669 CD2 PHE A 45 7.189 4.956 9.447 1.00 0.00 C ATOM 670 CE1 PHE A 45 7.414 2.304 10.191 1.00 0.00 C ATOM 671 CE2 PHE A 45 8.431 4.354 9.497 1.00 0.00 C ATOM 672 CZ PHE A 45 8.544 3.028 9.869 1.00 0.00 C ATOM 0 H PHE A 45 4.540 5.829 7.396 1.00 0.00 H new ATOM 0 HA PHE A 45 3.986 3.237 8.494 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.753 5.946 9.590 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.163 4.715 10.689 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.299 2.331 10.394 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.109 5.993 9.157 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.500 1.268 10.482 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.315 4.921 9.245 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.516 2.559 9.908 1.00 0.00 H new ATOM 682 N ALA A 46 1.646 5.550 8.574 1.00 0.00 N ATOM 683 CA ALA A 46 0.209 5.796 8.794 1.00 0.00 C ATOM 684 C ALA A 46 -0.656 4.872 7.906 1.00 0.00 C ATOM 685 O ALA A 46 -1.714 4.402 8.328 1.00 0.00 O ATOM 686 CB ALA A 46 -0.114 7.277 8.550 1.00 0.00 C ATOM 0 H ALA A 46 2.128 6.316 8.104 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.032 5.561 9.831 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.178 7.449 8.715 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.464 7.894 9.238 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.142 7.541 7.524 1.00 0.00 H new ATOM 692 N ILE A 47 -0.172 4.611 6.679 1.00 0.00 N ATOM 693 CA ILE A 47 -0.823 3.691 5.717 1.00 0.00 C ATOM 694 C ILE A 47 -0.603 2.219 6.136 1.00 0.00 C ATOM 695 O ILE A 47 -1.522 1.385 6.058 1.00 0.00 O ATOM 696 CB ILE A 47 -0.262 3.918 4.263 1.00 0.00 C ATOM 697 CG1 ILE A 47 -0.580 5.360 3.753 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.793 2.858 3.272 1.00 0.00 C ATOM 699 CD1 ILE A 47 0.045 5.715 2.407 1.00 0.00 C ATOM 0 H ILE A 47 0.685 5.032 6.321 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.892 3.904 5.720 1.00 0.00 H new ATOM 0 HB ILE A 47 0.821 3.807 4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.661 5.473 3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.236 6.078 4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.383 3.049 2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.490 1.865 3.604 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.881 2.911 3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.231 6.734 2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.130 5.640 2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.317 5.025 1.644 1.00 0.00 H new ATOM 711 N ASP A 48 0.638 1.941 6.570 1.00 0.00 N ATOM 712 CA ASP A 48 1.100 0.608 7.026 1.00 0.00 C ATOM 713 C ASP A 48 0.164 0.059 8.117 1.00 0.00 C ATOM 714 O ASP A 48 -0.261 -1.102 8.089 1.00 0.00 O ATOM 715 CB ASP A 48 2.550 0.759 7.572 1.00 0.00 C ATOM 716 CG ASP A 48 3.264 -0.554 7.926 1.00 0.00 C ATOM 717 OD1 ASP A 48 3.045 -1.094 9.034 1.00 0.00 O ATOM 718 OD2 ASP A 48 4.075 -1.041 7.109 1.00 0.00 O ATOM 0 H ASP A 48 1.369 2.650 6.617 1.00 0.00 H new ATOM 0 HA ASP A 48 1.087 -0.098 6.195 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.146 1.287 6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.521 1.388 8.462 1.00 0.00 H new ATOM 723 N LYS A 49 -0.162 0.944 9.061 1.00 0.00 N ATOM 724 CA LYS A 49 -1.017 0.642 10.212 1.00 0.00 C ATOM 725 C LYS A 49 -2.513 0.674 9.833 1.00 0.00 C ATOM 726 O LYS A 49 -3.290 -0.159 10.329 1.00 0.00 O ATOM 727 CB LYS A 49 -0.678 1.643 11.348 1.00 0.00 C ATOM 728 CG LYS A 49 0.766 1.468 11.875 1.00 0.00 C ATOM 729 CD LYS A 49 1.235 2.591 12.824 1.00 0.00 C ATOM 730 CE LYS A 49 2.630 2.322 13.409 1.00 0.00 C ATOM 731 NZ LYS A 49 3.115 3.444 14.253 1.00 0.00 N ATOM 0 H LYS A 49 0.167 1.909 9.047 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.822 -0.373 10.560 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.808 2.662 10.982 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.381 1.508 12.170 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.837 0.514 12.397 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.447 1.418 11.025 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.247 3.537 12.284 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.518 2.698 13.638 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.602 1.409 14.004 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.335 2.151 12.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.059 3.216 14.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.168 4.311 13.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.458 3.592 15.045 1.00 0.00 H new ATOM 745 N ALA A 50 -2.907 1.638 8.962 1.00 0.00 N ATOM 746 CA ALA A 50 -4.302 1.779 8.468 1.00 0.00 C ATOM 747 C ALA A 50 -4.834 0.491 7.807 1.00 0.00 C ATOM 748 O ALA A 50 -5.834 -0.077 8.253 1.00 0.00 O ATOM 749 CB ALA A 50 -4.414 2.961 7.481 1.00 0.00 C ATOM 0 H ALA A 50 -2.269 2.338 8.583 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.922 1.975 9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.443 3.047 7.131 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.123 3.884 7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.755 2.788 6.630 1.00 0.00 H new ATOM 755 N PHE A 51 -4.153 0.048 6.736 1.00 0.00 N ATOM 756 CA PHE A 51 -4.548 -1.147 5.961 1.00 0.00 C ATOM 757 C PHE A 51 -4.026 -2.453 6.611 1.00 0.00 C ATOM 758 O PHE A 51 -4.368 -3.551 6.153 1.00 0.00 O ATOM 759 CB PHE A 51 -4.043 -1.024 4.503 1.00 0.00 C ATOM 760 CG PHE A 51 -4.663 0.122 3.702 1.00 0.00 C ATOM 761 CD1 PHE A 51 -4.154 1.420 3.787 1.00 0.00 C ATOM 762 CD2 PHE A 51 -5.737 -0.106 2.844 1.00 0.00 C ATOM 763 CE1 PHE A 51 -4.708 2.448 3.045 1.00 0.00 C ATOM 764 CE2 PHE A 51 -6.286 0.919 2.102 1.00 0.00 C ATOM 765 CZ PHE A 51 -5.768 2.194 2.198 1.00 0.00 C ATOM 0 H PHE A 51 -3.313 0.506 6.381 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.637 -1.200 5.959 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.961 -0.894 4.518 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.244 -1.961 3.984 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.318 1.624 4.440 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.146 -1.102 2.759 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.311 3.449 3.128 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.121 0.723 1.446 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.192 2.994 1.610 1.00 0.00 H new ATOM 775 N GLY A 52 -3.214 -2.323 7.686 1.00 0.00 N ATOM 776 CA GLY A 52 -2.640 -3.474 8.393 1.00 0.00 C ATOM 777 C GLY A 52 -1.681 -4.298 7.538 1.00 0.00 C ATOM 778 O GLY A 52 -1.633 -5.524 7.657 1.00 0.00 O ATOM 0 H GLY A 52 -2.945 -1.421 8.079 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.112 -3.120 9.278 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.449 -4.117 8.740 1.00 0.00 H new ATOM 782 N ILE A 53 -0.908 -3.614 6.682 1.00 0.00 N ATOM 783 CA ILE A 53 0.050 -4.252 5.746 1.00 0.00 C ATOM 784 C ILE A 53 1.460 -3.709 5.964 1.00 0.00 C ATOM 785 O ILE A 53 1.623 -2.581 6.409 1.00 0.00 O ATOM 786 CB ILE A 53 -0.404 -4.087 4.231 1.00 0.00 C ATOM 787 CG1 ILE A 53 -0.955 -2.644 3.910 1.00 0.00 C ATOM 788 CG2 ILE A 53 -1.455 -5.156 3.879 1.00 0.00 C ATOM 789 CD1 ILE A 53 0.070 -1.534 3.782 1.00 0.00 C ATOM 0 H ILE A 53 -0.924 -2.596 6.613 1.00 0.00 H new ATOM 0 HA ILE A 53 0.059 -5.321 5.961 1.00 0.00 H new ATOM 0 HB ILE A 53 0.483 -4.226 3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.519 -2.695 2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.660 -2.367 4.694 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.761 -5.037 2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.026 -6.148 4.019 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.323 -5.041 4.528 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.437 -0.595 3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.621 -1.438 4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.764 -1.771 2.975 1.00 0.00 H new ATOM 801 N LYS A 54 2.468 -4.531 5.664 1.00 0.00 N ATOM 802 CA LYS A 54 3.878 -4.138 5.745 1.00 0.00 C ATOM 803 C LYS A 54 4.292 -3.546 4.397 1.00 0.00 C ATOM 804 O LYS A 54 4.448 -4.300 3.426 1.00 0.00 O ATOM 805 CB LYS A 54 4.772 -5.365 6.098 1.00 0.00 C ATOM 806 CG LYS A 54 4.355 -6.126 7.374 1.00 0.00 C ATOM 807 CD LYS A 54 4.476 -5.289 8.669 1.00 0.00 C ATOM 808 CE LYS A 54 4.063 -6.097 9.910 1.00 0.00 C ATOM 809 NZ LYS A 54 4.283 -5.342 11.158 1.00 0.00 N ATOM 0 H LYS A 54 2.329 -5.493 5.356 1.00 0.00 H new ATOM 0 HA LYS A 54 4.008 -3.396 6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.759 -6.059 5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.801 -5.025 6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.324 -6.462 7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.972 -7.019 7.471 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.504 -4.944 8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.849 -4.401 8.588 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.011 -6.370 9.832 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.631 -7.027 9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.992 -5.922 11.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.291 -5.104 11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.721 -4.467 11.138 1.00 0.00 H new ATOM 823 N LEU A 55 4.400 -2.202 4.297 1.00 0.00 N ATOM 824 CA LEU A 55 4.965 -1.547 3.108 1.00 0.00 C ATOM 825 C LEU A 55 6.480 -1.805 3.064 1.00 0.00 C ATOM 826 O LEU A 55 7.176 -1.467 4.026 1.00 0.00 O ATOM 827 CB LEU A 55 4.706 -0.006 3.135 1.00 0.00 C ATOM 828 CG LEU A 55 3.217 0.467 3.013 1.00 0.00 C ATOM 829 CD1 LEU A 55 3.101 1.997 3.170 1.00 0.00 C ATOM 830 CD2 LEU A 55 2.583 0.020 1.677 1.00 0.00 C ATOM 0 H LEU A 55 4.102 -1.555 5.027 1.00 0.00 H new ATOM 0 HA LEU A 55 4.482 -1.961 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.112 0.390 4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.273 0.447 2.322 1.00 0.00 H new ATOM 0 HG LEU A 55 2.666 -0.008 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.056 2.294 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.479 2.292 4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.686 2.488 2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.551 0.367 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.147 0.445 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.604 -1.068 1.610 1.00 0.00 H new ATOM 842 N PRO A 56 7.027 -2.422 1.977 1.00 0.00 N ATOM 843 CA PRO A 56 8.481 -2.455 1.745 1.00 0.00 C ATOM 844 C PRO A 56 8.965 -1.109 1.160 1.00 0.00 C ATOM 845 O PRO A 56 9.602 -1.065 0.104 1.00 0.00 O ATOM 846 CB PRO A 56 8.643 -3.634 0.766 1.00 0.00 C ATOM 847 CG PRO A 56 7.372 -3.638 -0.025 1.00 0.00 C ATOM 848 CD PRO A 56 6.287 -3.167 0.923 1.00 0.00 C ATOM 0 HA PRO A 56 9.080 -2.590 2.646 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.512 -3.499 0.122 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.783 -4.575 1.297 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.448 -2.978 -0.889 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.152 -4.636 -0.405 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.564 -2.528 0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.732 -4.006 1.343 1.00 0.00 H new ATOM 856 N LEU A 57 8.684 -0.031 1.923 1.00 0.00 N ATOM 857 CA LEU A 57 8.914 1.371 1.522 1.00 0.00 C ATOM 858 C LEU A 57 10.418 1.599 1.317 1.00 0.00 C ATOM 859 O LEU A 57 10.826 2.193 0.321 1.00 0.00 O ATOM 860 CB LEU A 57 8.325 2.335 2.623 1.00 0.00 C ATOM 861 CG LEU A 57 8.024 3.835 2.237 1.00 0.00 C ATOM 862 CD1 LEU A 57 9.287 4.670 1.932 1.00 0.00 C ATOM 863 CD2 LEU A 57 7.006 3.903 1.084 1.00 0.00 C ATOM 0 H LEU A 57 8.282 -0.115 2.856 1.00 0.00 H new ATOM 0 HA LEU A 57 8.407 1.585 0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.396 1.894 2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.022 2.343 3.461 1.00 0.00 H new ATOM 0 HG LEU A 57 7.586 4.296 3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.996 5.689 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.933 4.687 2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.825 4.224 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.811 4.945 0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.409 3.388 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.076 3.424 1.391 1.00 0.00 H new ATOM 875 N GLU A 58 11.224 1.082 2.262 1.00 0.00 N ATOM 876 CA GLU A 58 12.689 1.230 2.250 1.00 0.00 C ATOM 877 C GLU A 58 13.302 0.481 1.055 1.00 0.00 C ATOM 878 O GLU A 58 14.267 0.960 0.454 1.00 0.00 O ATOM 879 CB GLU A 58 13.283 0.728 3.588 1.00 0.00 C ATOM 880 CG GLU A 58 12.783 1.502 4.821 1.00 0.00 C ATOM 881 CD GLU A 58 13.309 0.923 6.141 1.00 0.00 C ATOM 882 OE1 GLU A 58 14.415 1.316 6.576 1.00 0.00 O ATOM 883 OE2 GLU A 58 12.633 0.053 6.733 1.00 0.00 O ATOM 0 H GLU A 58 10.875 0.548 3.058 1.00 0.00 H new ATOM 0 HA GLU A 58 12.935 2.286 2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.038 -0.327 3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.370 0.800 3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.090 2.545 4.739 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.693 1.491 4.834 1.00 0.00 H new ATOM 890 N LYS A 59 12.719 -0.686 0.704 1.00 0.00 N ATOM 891 CA LYS A 59 13.124 -1.438 -0.504 1.00 0.00 C ATOM 892 C LYS A 59 12.848 -0.593 -1.758 1.00 0.00 C ATOM 893 O LYS A 59 13.720 -0.452 -2.612 1.00 0.00 O ATOM 894 CB LYS A 59 12.383 -2.798 -0.622 1.00 0.00 C ATOM 895 CG LYS A 59 12.761 -3.617 -1.890 1.00 0.00 C ATOM 896 CD LYS A 59 11.965 -4.937 -2.033 1.00 0.00 C ATOM 897 CE LYS A 59 10.453 -4.728 -2.237 1.00 0.00 C ATOM 898 NZ LYS A 59 10.147 -3.973 -3.472 1.00 0.00 N ATOM 0 H LYS A 59 11.969 -1.126 1.238 1.00 0.00 H new ATOM 0 HA LYS A 59 14.190 -1.647 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.600 -3.396 0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.308 -2.615 -0.627 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.591 -3.002 -2.774 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.826 -3.846 -1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.362 -5.501 -2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.122 -5.544 -1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.957 -5.698 -2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.044 -4.195 -1.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.566 -3.143 -3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.034 -3.660 -3.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.626 -4.585 -4.133 1.00 0.00 H new ATOM 912 N TRP A 60 11.626 -0.012 -1.819 1.00 0.00 N ATOM 913 CA TRP A 60 11.186 0.865 -2.927 1.00 0.00 C ATOM 914 C TRP A 60 12.133 2.060 -3.072 1.00 0.00 C ATOM 915 O TRP A 60 12.486 2.439 -4.180 1.00 0.00 O ATOM 916 CB TRP A 60 9.742 1.382 -2.699 1.00 0.00 C ATOM 917 CG TRP A 60 8.677 0.317 -2.659 1.00 0.00 C ATOM 918 CD1 TRP A 60 8.754 -0.971 -3.127 1.00 0.00 C ATOM 919 CD2 TRP A 60 7.359 0.468 -2.133 1.00 0.00 C ATOM 920 NE1 TRP A 60 7.569 -1.614 -2.916 1.00 0.00 N ATOM 921 CE2 TRP A 60 6.700 -0.754 -2.308 1.00 0.00 C ATOM 922 CE3 TRP A 60 6.675 1.522 -1.534 1.00 0.00 C ATOM 923 CZ2 TRP A 60 5.394 -0.958 -1.890 1.00 0.00 C ATOM 924 CZ3 TRP A 60 5.376 1.321 -1.118 1.00 0.00 C ATOM 925 CH2 TRP A 60 4.747 0.090 -1.302 1.00 0.00 C ATOM 0 H TRP A 60 10.916 -0.140 -1.098 1.00 0.00 H new ATOM 0 HA TRP A 60 11.204 0.271 -3.841 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.715 1.935 -1.760 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.497 2.088 -3.492 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.624 -1.410 -3.593 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.365 -2.580 -3.171 1.00 0.00 H new ATOM 0 HE3 TRP A 60 7.154 2.481 -1.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.906 -1.912 -2.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 4.838 2.128 -0.643 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.726 -0.037 -0.972 1.00 0.00 H new ATOM 936 N THR A 61 12.560 2.604 -1.917 1.00 0.00 N ATOM 937 CA THR A 61 13.479 3.745 -1.844 1.00 0.00 C ATOM 938 C THR A 61 14.852 3.366 -2.442 1.00 0.00 C ATOM 939 O THR A 61 15.454 4.155 -3.175 1.00 0.00 O ATOM 940 CB THR A 61 13.637 4.243 -0.364 1.00 0.00 C ATOM 941 OG1 THR A 61 12.351 4.594 0.178 1.00 0.00 O ATOM 942 CG2 THR A 61 14.583 5.456 -0.237 1.00 0.00 C ATOM 0 H THR A 61 12.271 2.257 -1.002 1.00 0.00 H new ATOM 0 HA THR A 61 13.059 4.562 -2.430 1.00 0.00 H new ATOM 0 HB THR A 61 14.078 3.419 0.196 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.787 3.794 0.227 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.653 5.755 0.809 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.573 5.185 -0.604 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.192 6.285 -0.826 1.00 0.00 H new ATOM 950 N GLN A 62 15.311 2.126 -2.186 1.00 0.00 N ATOM 951 CA GLN A 62 16.612 1.648 -2.679 1.00 0.00 C ATOM 952 C GLN A 62 16.532 1.365 -4.189 1.00 0.00 C ATOM 953 O GLN A 62 17.496 1.597 -4.905 1.00 0.00 O ATOM 954 CB GLN A 62 17.054 0.369 -1.912 1.00 0.00 C ATOM 955 CG GLN A 62 17.327 0.568 -0.402 1.00 0.00 C ATOM 956 CD GLN A 62 18.705 1.170 -0.017 1.00 0.00 C ATOM 957 OE1 GLN A 62 19.324 1.993 -0.870 1.00 0.00 O flip ATOM 958 NE2 GLN A 62 19.225 0.877 1.060 1.00 0.00 N flip ATOM 0 H GLN A 62 14.796 1.437 -1.638 1.00 0.00 H new ATOM 0 HA GLN A 62 17.356 2.425 -2.504 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.281 -0.390 -2.028 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.958 -0.022 -2.380 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.548 1.214 0.002 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.228 -0.398 0.092 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.745 0.248 1.704 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.136 1.263 1.308 1.00 0.00 H new ATOM 967 N GLU A 63 15.360 0.881 -4.646 1.00 0.00 N ATOM 968 CA GLU A 63 15.101 0.592 -6.070 1.00 0.00 C ATOM 969 C GLU A 63 15.103 1.885 -6.899 1.00 0.00 C ATOM 970 O GLU A 63 15.724 1.945 -7.967 1.00 0.00 O ATOM 971 CB GLU A 63 13.758 -0.165 -6.242 1.00 0.00 C ATOM 972 CG GLU A 63 13.736 -1.569 -5.617 1.00 0.00 C ATOM 973 CD GLU A 63 12.367 -2.247 -5.749 1.00 0.00 C ATOM 974 OE1 GLU A 63 11.470 -1.962 -4.930 1.00 0.00 O ATOM 975 OE2 GLU A 63 12.166 -3.047 -6.692 1.00 0.00 O ATOM 0 H GLU A 63 14.566 0.680 -4.038 1.00 0.00 H new ATOM 0 HA GLU A 63 15.904 -0.048 -6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.960 0.430 -5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.537 -0.251 -7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.493 -2.189 -6.097 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.003 -1.498 -4.563 1.00 0.00 H new ATOM 982 N VAL A 64 14.427 2.915 -6.373 1.00 0.00 N ATOM 983 CA VAL A 64 14.359 4.249 -6.995 1.00 0.00 C ATOM 984 C VAL A 64 15.777 4.834 -7.193 1.00 0.00 C ATOM 985 O VAL A 64 16.172 5.163 -8.313 1.00 0.00 O ATOM 986 CB VAL A 64 13.465 5.235 -6.142 1.00 0.00 C ATOM 987 CG1 VAL A 64 13.595 6.703 -6.621 1.00 0.00 C ATOM 988 CG2 VAL A 64 11.981 4.786 -6.157 1.00 0.00 C ATOM 0 H VAL A 64 13.907 2.848 -5.498 1.00 0.00 H new ATOM 0 HA VAL A 64 13.892 4.136 -7.974 1.00 0.00 H new ATOM 0 HB VAL A 64 13.833 5.194 -5.117 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.963 7.344 -6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.633 7.024 -6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.280 6.775 -7.662 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.385 5.479 -5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.614 4.778 -7.183 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.900 3.784 -5.735 1.00 0.00 H new ATOM 998 N ASN A 65 16.544 4.910 -6.097 1.00 0.00 N ATOM 999 CA ASN A 65 17.893 5.509 -6.106 1.00 0.00 C ATOM 1000 C ASN A 65 18.921 4.652 -6.876 1.00 0.00 C ATOM 1001 O ASN A 65 19.871 5.201 -7.439 1.00 0.00 O ATOM 1002 CB ASN A 65 18.368 5.817 -4.661 1.00 0.00 C ATOM 1003 CG ASN A 65 17.654 7.031 -4.048 1.00 0.00 C ATOM 1004 OD1 ASN A 65 18.060 8.164 -4.273 1.00 0.00 O ATOM 1005 ND2 ASN A 65 16.601 6.813 -3.268 1.00 0.00 N ATOM 0 H ASN A 65 16.253 4.562 -5.183 1.00 0.00 H new ATOM 0 HA ASN A 65 17.821 6.452 -6.648 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.195 4.944 -4.032 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.443 5.998 -4.667 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.111 7.599 -2.841 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.282 5.859 -3.096 1.00 0.00 H new ATOM 1012 N ASP A 66 18.730 3.316 -6.926 1.00 0.00 N ATOM 1013 CA ASP A 66 19.649 2.397 -7.657 1.00 0.00 C ATOM 1014 C ASP A 66 19.331 2.365 -9.171 1.00 0.00 C ATOM 1015 O ASP A 66 20.075 1.766 -9.958 1.00 0.00 O ATOM 1016 CB ASP A 66 19.552 0.957 -7.061 1.00 0.00 C ATOM 1017 CG ASP A 66 20.680 0.002 -7.518 1.00 0.00 C ATOM 1018 OD1 ASP A 66 21.768 0.016 -6.903 1.00 0.00 O ATOM 1019 OD2 ASP A 66 20.482 -0.776 -8.479 1.00 0.00 O ATOM 0 H ASP A 66 17.949 2.843 -6.471 1.00 0.00 H new ATOM 0 HA ASP A 66 20.665 2.772 -7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.568 1.025 -5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.591 0.525 -7.340 1.00 0.00 H new ATOM 1024 N GLY A 67 18.233 3.030 -9.580 1.00 0.00 N ATOM 1025 CA GLY A 67 17.762 2.987 -10.968 1.00 0.00 C ATOM 1026 C GLY A 67 17.031 1.693 -11.347 1.00 0.00 C ATOM 1027 O GLY A 67 16.707 1.500 -12.524 1.00 0.00 O ATOM 0 H GLY A 67 17.658 3.603 -8.963 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.094 3.831 -11.139 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.616 3.116 -11.633 1.00 0.00 H new ATOM 1031 N LYS A 68 16.769 0.810 -10.353 1.00 0.00 N ATOM 1032 CA LYS A 68 15.934 -0.408 -10.545 1.00 0.00 C ATOM 1033 C LYS A 68 14.490 0.002 -10.905 1.00 0.00 C ATOM 1034 O LYS A 68 13.779 -0.707 -11.622 1.00 0.00 O ATOM 1035 CB LYS A 68 15.897 -1.265 -9.253 1.00 0.00 C ATOM 1036 CG LYS A 68 17.261 -1.763 -8.745 1.00 0.00 C ATOM 1037 CD LYS A 68 17.128 -2.614 -7.459 1.00 0.00 C ATOM 1038 CE LYS A 68 18.484 -3.023 -6.871 1.00 0.00 C ATOM 1039 NZ LYS A 68 19.337 -3.732 -7.863 1.00 0.00 N ATOM 0 H LYS A 68 17.125 0.917 -9.403 1.00 0.00 H new ATOM 0 HA LYS A 68 16.375 -0.995 -11.351 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.428 -0.679 -8.463 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.258 -2.130 -9.431 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.743 -2.355 -9.523 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.908 -0.908 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.569 -2.050 -6.712 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.549 -3.510 -7.681 1.00 0.00 H new ATOM 0 HE2 LYS A 68 19.006 -2.135 -6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.324 -3.667 -6.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.908 -4.453 -7.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.733 -4.191 -8.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.966 -3.049 -8.331 1.00 0.00 H new ATOM 1053 N ALA A 69 14.099 1.163 -10.374 1.00 0.00 N ATOM 1054 CA ALA A 69 12.806 1.802 -10.617 1.00 0.00 C ATOM 1055 C ALA A 69 13.008 3.325 -10.591 1.00 0.00 C ATOM 1056 O ALA A 69 14.097 3.816 -10.253 1.00 0.00 O ATOM 1057 CB ALA A 69 11.779 1.348 -9.560 1.00 0.00 C ATOM 0 H ALA A 69 14.694 1.700 -9.743 1.00 0.00 H new ATOM 0 HA ALA A 69 12.414 1.510 -11.591 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.821 1.831 -9.752 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.657 0.266 -9.612 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.132 1.626 -8.567 1.00 0.00 H new ATOM 1063 N THR A 70 11.966 4.055 -10.972 1.00 0.00 N ATOM 1064 CA THR A 70 11.925 5.521 -10.888 1.00 0.00 C ATOM 1065 C THR A 70 11.005 5.943 -9.736 1.00 0.00 C ATOM 1066 O THR A 70 10.323 5.095 -9.135 1.00 0.00 O ATOM 1067 CB THR A 70 11.486 6.148 -12.260 1.00 0.00 C ATOM 1068 OG1 THR A 70 10.447 5.362 -12.856 1.00 0.00 O ATOM 1069 CG2 THR A 70 12.657 6.257 -13.254 1.00 0.00 C ATOM 0 H THR A 70 11.113 3.646 -11.353 1.00 0.00 H new ATOM 0 HA THR A 70 12.925 5.901 -10.678 1.00 0.00 H new ATOM 0 HB THR A 70 11.125 7.154 -12.044 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.604 5.860 -12.829 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.303 6.696 -14.187 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.437 6.888 -12.829 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.061 5.264 -13.451 1.00 0.00 H new ATOM 1077 N THR A 71 11.029 7.248 -9.408 1.00 0.00 N ATOM 1078 CA THR A 71 10.262 7.810 -8.284 1.00 0.00 C ATOM 1079 C THR A 71 8.751 7.532 -8.445 1.00 0.00 C ATOM 1080 O THR A 71 8.147 6.863 -7.606 1.00 0.00 O ATOM 1081 CB THR A 71 10.503 9.353 -8.124 1.00 0.00 C ATOM 1082 OG1 THR A 71 10.234 10.019 -9.369 1.00 0.00 O ATOM 1083 CG2 THR A 71 11.923 9.695 -7.644 1.00 0.00 C ATOM 0 H THR A 71 11.580 7.941 -9.915 1.00 0.00 H new ATOM 0 HA THR A 71 10.620 7.314 -7.382 1.00 0.00 H new ATOM 0 HB THR A 71 9.817 9.703 -7.352 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.384 10.982 -9.264 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.026 10.776 -7.553 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.101 9.231 -6.674 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.651 9.320 -8.364 1.00 0.00 H new ATOM 1091 N GLU A 72 8.176 8.029 -9.554 1.00 0.00 N ATOM 1092 CA GLU A 72 6.730 7.935 -9.867 1.00 0.00 C ATOM 1093 C GLU A 72 6.149 6.486 -9.859 1.00 0.00 C ATOM 1094 O GLU A 72 4.954 6.309 -9.576 1.00 0.00 O ATOM 1095 CB GLU A 72 6.436 8.722 -11.196 1.00 0.00 C ATOM 1096 CG GLU A 72 7.420 8.502 -12.373 1.00 0.00 C ATOM 1097 CD GLU A 72 7.119 7.262 -13.221 1.00 0.00 C ATOM 1098 OE1 GLU A 72 6.349 7.370 -14.202 1.00 0.00 O ATOM 1099 OE2 GLU A 72 7.636 6.177 -12.914 1.00 0.00 O ATOM 0 H GLU A 72 8.709 8.517 -10.274 1.00 0.00 H new ATOM 0 HA GLU A 72 6.188 8.409 -9.048 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.436 8.453 -11.535 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.418 9.787 -10.963 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.401 9.382 -13.017 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.432 8.419 -11.975 1.00 0.00 H new ATOM 1106 N GLN A 73 7.017 5.479 -10.126 1.00 0.00 N ATOM 1107 CA GLN A 73 6.664 4.027 -10.047 1.00 0.00 C ATOM 1108 C GLN A 73 5.999 3.658 -8.702 1.00 0.00 C ATOM 1109 O GLN A 73 5.115 2.796 -8.654 1.00 0.00 O ATOM 1110 CB GLN A 73 7.926 3.132 -10.259 1.00 0.00 C ATOM 1111 CG GLN A 73 8.526 3.165 -11.676 1.00 0.00 C ATOM 1112 CD GLN A 73 7.653 2.487 -12.733 1.00 0.00 C ATOM 1113 OE1 GLN A 73 6.800 3.110 -13.364 1.00 0.00 O ATOM 1114 NE2 GLN A 73 7.870 1.197 -12.943 1.00 0.00 N ATOM 0 H GLN A 73 7.985 5.644 -10.403 1.00 0.00 H new ATOM 0 HA GLN A 73 5.946 3.842 -10.845 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.694 3.442 -9.550 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.665 2.102 -10.017 1.00 0.00 H new ATOM 0 HG2 GLN A 73 8.691 4.203 -11.966 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.502 2.680 -11.658 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.584 0.706 -12.405 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.323 0.695 -13.643 1.00 0.00 H new ATOM 1123 N TYR A 74 6.439 4.311 -7.614 1.00 0.00 N ATOM 1124 CA TYR A 74 5.921 4.056 -6.253 1.00 0.00 C ATOM 1125 C TYR A 74 5.278 5.307 -5.647 1.00 0.00 C ATOM 1126 O TYR A 74 4.354 5.200 -4.845 1.00 0.00 O ATOM 1127 CB TYR A 74 7.066 3.568 -5.331 1.00 0.00 C ATOM 1128 CG TYR A 74 7.761 2.304 -5.838 1.00 0.00 C ATOM 1129 CD1 TYR A 74 7.051 1.106 -5.978 1.00 0.00 C ATOM 1130 CD2 TYR A 74 9.113 2.303 -6.190 1.00 0.00 C ATOM 1131 CE1 TYR A 74 7.666 -0.033 -6.444 1.00 0.00 C ATOM 1132 CE2 TYR A 74 9.725 1.162 -6.654 1.00 0.00 C ATOM 1133 CZ TYR A 74 8.999 0.001 -6.778 1.00 0.00 C ATOM 1134 OH TYR A 74 9.612 -1.135 -7.235 1.00 0.00 O ATOM 0 H TYR A 74 7.162 5.030 -7.649 1.00 0.00 H new ATOM 0 HA TYR A 74 5.155 3.285 -6.333 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.804 4.363 -5.230 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.664 3.378 -4.336 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.004 1.075 -5.716 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.687 3.213 -6.096 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.104 -0.950 -6.547 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.772 1.178 -6.920 1.00 0.00 H new ATOM 0 HH TYR A 74 10.554 -0.944 -7.428 1.00 0.00 H new ATOM 1144 N PHE A 75 5.766 6.500 -6.033 1.00 0.00 N ATOM 1145 CA PHE A 75 5.425 7.763 -5.349 1.00 0.00 C ATOM 1146 C PHE A 75 4.330 8.548 -6.100 1.00 0.00 C ATOM 1147 O PHE A 75 4.101 9.711 -5.788 1.00 0.00 O ATOM 1148 CB PHE A 75 6.700 8.634 -5.168 1.00 0.00 C ATOM 1149 CG PHE A 75 7.832 7.978 -4.363 1.00 0.00 C ATOM 1150 CD1 PHE A 75 7.578 7.300 -3.173 1.00 0.00 C ATOM 1151 CD2 PHE A 75 9.157 8.069 -4.789 1.00 0.00 C ATOM 1152 CE1 PHE A 75 8.612 6.731 -2.443 1.00 0.00 C ATOM 1153 CE2 PHE A 75 10.187 7.503 -4.063 1.00 0.00 C ATOM 1154 CZ PHE A 75 9.913 6.831 -2.890 1.00 0.00 C ATOM 0 H PHE A 75 6.403 6.617 -6.821 1.00 0.00 H new ATOM 0 HA PHE A 75 5.023 7.512 -4.367 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.083 8.898 -6.154 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.418 9.565 -4.676 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.563 7.216 -2.814 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.383 8.593 -5.706 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.397 6.209 -1.522 1.00 0.00 H new ATOM 0 HE2 PHE A 75 11.205 7.587 -4.413 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.716 6.384 -2.323 1.00 0.00 H new ATOM 1164 N VAL A 76 3.651 7.923 -7.081 1.00 0.00 N ATOM 1165 CA VAL A 76 2.375 8.454 -7.620 1.00 0.00 C ATOM 1166 C VAL A 76 1.239 7.739 -6.887 1.00 0.00 C ATOM 1167 O VAL A 76 1.286 6.532 -6.741 1.00 0.00 O ATOM 1168 CB VAL A 76 2.251 8.282 -9.182 1.00 0.00 C ATOM 1169 CG1 VAL A 76 0.801 8.459 -9.680 1.00 0.00 C ATOM 1170 CG2 VAL A 76 3.189 9.269 -9.909 1.00 0.00 C ATOM 0 H VAL A 76 3.959 7.054 -7.517 1.00 0.00 H new ATOM 0 HA VAL A 76 2.330 9.530 -7.449 1.00 0.00 H new ATOM 0 HB VAL A 76 2.551 7.260 -9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.770 8.331 -10.762 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.161 7.714 -9.208 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.447 9.457 -9.422 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.091 9.137 -10.987 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.919 10.291 -9.642 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.220 9.077 -9.612 1.00 0.00 H new ATOM 1180 N LEU A 77 0.235 8.508 -6.437 1.00 0.00 N ATOM 1181 CA LEU A 77 -0.815 8.042 -5.506 1.00 0.00 C ATOM 1182 C LEU A 77 -1.572 6.785 -5.978 1.00 0.00 C ATOM 1183 O LEU A 77 -1.891 5.927 -5.154 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.815 9.187 -5.216 1.00 0.00 C ATOM 1185 CG LEU A 77 -1.188 10.515 -4.684 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -2.274 11.499 -4.236 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -0.154 10.255 -3.565 1.00 0.00 C ATOM 0 H LEU A 77 0.125 9.484 -6.711 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.294 7.750 -4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.363 9.407 -6.132 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.543 8.833 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.648 10.976 -5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.808 12.414 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.922 11.734 -5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.865 11.050 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.258 11.204 -3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.640 9.749 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.650 9.628 -3.951 1.00 0.00 H new ATOM 1199 N LYS A 78 -1.861 6.682 -7.293 1.00 0.00 N ATOM 1200 CA LYS A 78 -2.557 5.498 -7.863 1.00 0.00 C ATOM 1201 C LYS A 78 -1.610 4.270 -7.925 1.00 0.00 C ATOM 1202 O LYS A 78 -2.053 3.129 -7.744 1.00 0.00 O ATOM 1203 CB LYS A 78 -3.141 5.822 -9.268 1.00 0.00 C ATOM 1204 CG LYS A 78 -2.090 6.218 -10.323 1.00 0.00 C ATOM 1205 CD LYS A 78 -2.705 6.647 -11.669 1.00 0.00 C ATOM 1206 CE LYS A 78 -1.642 7.147 -12.662 1.00 0.00 C ATOM 1207 NZ LYS A 78 -0.650 6.099 -13.020 1.00 0.00 N ATOM 0 H LYS A 78 -1.626 7.398 -7.980 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.387 5.246 -7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.689 4.952 -9.629 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.862 6.634 -9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.484 7.035 -9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.419 5.375 -10.491 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.240 5.804 -12.107 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.438 7.435 -11.497 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.135 7.499 -13.568 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.121 8.002 -12.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.032 6.485 -13.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.145 5.792 -12.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.141 5.286 -13.443 1.00 0.00 H new ATOM 1221 N ASN A 79 -0.311 4.523 -8.176 1.00 0.00 N ATOM 1222 CA ASN A 79 0.743 3.472 -8.232 1.00 0.00 C ATOM 1223 C ASN A 79 1.013 2.920 -6.823 1.00 0.00 C ATOM 1224 O ASN A 79 1.155 1.706 -6.628 1.00 0.00 O ATOM 1225 CB ASN A 79 2.062 4.042 -8.830 1.00 0.00 C ATOM 1226 CG ASN A 79 1.950 4.519 -10.281 1.00 0.00 C ATOM 1227 OD1 ASN A 79 0.907 5.003 -10.728 1.00 0.00 O ATOM 1228 ND2 ASN A 79 3.033 4.394 -11.028 1.00 0.00 N ATOM 0 H ASN A 79 0.046 5.463 -8.347 1.00 0.00 H new ATOM 0 HA ASN A 79 0.387 2.667 -8.875 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.395 4.876 -8.212 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.833 3.274 -8.772 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.020 4.701 -12.000 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.882 3.990 -10.632 1.00 0.00 H new ATOM 1235 N LEU A 80 1.087 3.847 -5.860 1.00 0.00 N ATOM 1236 CA LEU A 80 1.243 3.560 -4.431 1.00 0.00 C ATOM 1237 C LEU A 80 0.046 2.737 -3.940 1.00 0.00 C ATOM 1238 O LEU A 80 0.218 1.717 -3.285 1.00 0.00 O ATOM 1239 CB LEU A 80 1.355 4.886 -3.624 1.00 0.00 C ATOM 1240 CG LEU A 80 1.555 4.745 -2.078 1.00 0.00 C ATOM 1241 CD1 LEU A 80 2.871 4.007 -1.735 1.00 0.00 C ATOM 1242 CD2 LEU A 80 1.473 6.127 -1.380 1.00 0.00 C ATOM 0 H LEU A 80 1.038 4.846 -6.061 1.00 0.00 H new ATOM 0 HA LEU A 80 2.157 2.987 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.190 5.461 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.452 5.470 -3.800 1.00 0.00 H new ATOM 0 HG LEU A 80 0.740 4.131 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.973 3.929 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.852 3.008 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.716 4.563 -2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.615 6.001 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.251 6.781 -1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.496 6.572 -1.567 1.00 0.00 H new ATOM 1254 N ALA A 81 -1.166 3.179 -4.333 1.00 0.00 N ATOM 1255 CA ALA A 81 -2.437 2.524 -3.959 1.00 0.00 C ATOM 1256 C ALA A 81 -2.496 1.085 -4.497 1.00 0.00 C ATOM 1257 O ALA A 81 -3.015 0.186 -3.827 1.00 0.00 O ATOM 1258 CB ALA A 81 -3.632 3.344 -4.474 1.00 0.00 C ATOM 0 H ALA A 81 -1.292 4.003 -4.921 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.489 2.477 -2.871 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.561 2.850 -4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.604 4.342 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.579 3.422 -5.560 1.00 0.00 H new ATOM 1264 N ALA A 82 -1.940 0.883 -5.706 1.00 0.00 N ATOM 1265 CA ALA A 82 -1.857 -0.442 -6.345 1.00 0.00 C ATOM 1266 C ALA A 82 -0.920 -1.374 -5.555 1.00 0.00 C ATOM 1267 O ALA A 82 -1.213 -2.565 -5.381 1.00 0.00 O ATOM 1268 CB ALA A 82 -1.375 -0.294 -7.797 1.00 0.00 C ATOM 0 H ALA A 82 -1.536 1.634 -6.266 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.851 -0.890 -6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.316 -1.278 -8.263 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.077 0.329 -8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.390 0.172 -7.808 1.00 0.00 H new ATOM 1274 N ARG A 83 0.201 -0.802 -5.072 1.00 0.00 N ATOM 1275 CA ARG A 83 1.208 -1.515 -4.259 1.00 0.00 C ATOM 1276 C ARG A 83 0.648 -1.945 -2.892 1.00 0.00 C ATOM 1277 O ARG A 83 0.927 -3.049 -2.424 1.00 0.00 O ATOM 1278 CB ARG A 83 2.466 -0.621 -4.064 1.00 0.00 C ATOM 1279 CG ARG A 83 3.390 -0.542 -5.293 1.00 0.00 C ATOM 1280 CD ARG A 83 3.942 -1.925 -5.659 1.00 0.00 C ATOM 1281 NE ARG A 83 4.870 -1.881 -6.791 1.00 0.00 N ATOM 1282 CZ ARG A 83 5.534 -2.931 -7.268 1.00 0.00 C ATOM 1283 NH1 ARG A 83 5.342 -4.156 -6.782 1.00 0.00 N ATOM 1284 NH2 ARG A 83 6.386 -2.757 -8.261 1.00 0.00 N ATOM 0 H ARG A 83 0.435 0.177 -5.237 1.00 0.00 H new ATOM 0 HA ARG A 83 1.484 -2.421 -4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.143 0.387 -3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.039 -1.001 -3.218 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.840 -0.131 -6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.215 0.140 -5.088 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.451 -2.349 -4.793 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.113 -2.591 -5.900 1.00 0.00 H new ATOM 0 HE ARG A 83 5.018 -0.981 -7.247 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.673 -4.306 -6.027 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.864 -4.944 -7.165 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.529 -1.826 -8.653 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.902 -3.553 -8.636 1.00 0.00 H new ATOM 1298 N ILE A 84 -0.125 -1.047 -2.270 1.00 0.00 N ATOM 1299 CA ILE A 84 -0.766 -1.296 -0.963 1.00 0.00 C ATOM 1300 C ILE A 84 -1.811 -2.416 -1.097 1.00 0.00 C ATOM 1301 O ILE A 84 -1.834 -3.356 -0.304 1.00 0.00 O ATOM 1302 CB ILE A 84 -1.449 0.018 -0.440 1.00 0.00 C ATOM 1303 CG1 ILE A 84 -0.389 1.156 -0.299 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -2.203 -0.215 0.898 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -0.966 2.550 -0.215 1.00 0.00 C ATOM 0 H ILE A 84 -0.327 -0.124 -2.655 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.004 -1.606 -0.248 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.194 0.324 -1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.207 0.970 0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.290 1.109 -1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.661 0.719 1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.978 -0.968 0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.500 -0.559 1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.157 3.274 -0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.537 2.762 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.621 2.621 0.653 1.00 0.00 H new ATOM 1317 N ASP A 85 -2.645 -2.305 -2.147 1.00 0.00 N ATOM 1318 CA ASP A 85 -3.707 -3.281 -2.464 1.00 0.00 C ATOM 1319 C ASP A 85 -3.108 -4.669 -2.805 1.00 0.00 C ATOM 1320 O ASP A 85 -3.681 -5.708 -2.463 1.00 0.00 O ATOM 1321 CB ASP A 85 -4.576 -2.727 -3.627 1.00 0.00 C ATOM 1322 CG ASP A 85 -5.715 -3.664 -4.052 1.00 0.00 C ATOM 1323 OD1 ASP A 85 -6.624 -3.912 -3.233 1.00 0.00 O ATOM 1324 OD2 ASP A 85 -5.702 -4.172 -5.199 1.00 0.00 O ATOM 0 H ASP A 85 -2.601 -1.528 -2.806 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.341 -3.422 -1.589 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.000 -1.769 -3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.935 -2.536 -4.488 1.00 0.00 H new ATOM 1329 N GLU A 86 -1.927 -4.654 -3.447 1.00 0.00 N ATOM 1330 CA GLU A 86 -1.136 -5.851 -3.754 1.00 0.00 C ATOM 1331 C GLU A 86 -0.700 -6.562 -2.451 1.00 0.00 C ATOM 1332 O GLU A 86 -0.742 -7.797 -2.355 1.00 0.00 O ATOM 1333 CB GLU A 86 0.089 -5.405 -4.594 1.00 0.00 C ATOM 1334 CG GLU A 86 1.141 -6.482 -4.840 1.00 0.00 C ATOM 1335 CD GLU A 86 2.320 -5.985 -5.691 1.00 0.00 C ATOM 1336 OE1 GLU A 86 3.262 -5.391 -5.128 1.00 0.00 O ATOM 1337 OE2 GLU A 86 2.303 -6.175 -6.927 1.00 0.00 O ATOM 0 H GLU A 86 -1.490 -3.791 -3.772 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.729 -6.568 -4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.266 -5.041 -5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.566 -4.563 -4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.517 -6.841 -3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.674 -7.332 -5.337 1.00 0.00 H new ATOM 1344 N LEU A 87 -0.299 -5.749 -1.453 1.00 0.00 N ATOM 1345 CA LEU A 87 0.102 -6.246 -0.121 1.00 0.00 C ATOM 1346 C LEU A 87 -1.105 -6.754 0.682 1.00 0.00 C ATOM 1347 O LEU A 87 -0.955 -7.673 1.487 1.00 0.00 O ATOM 1348 CB LEU A 87 0.824 -5.127 0.660 1.00 0.00 C ATOM 1349 CG LEU A 87 2.160 -4.643 0.031 1.00 0.00 C ATOM 1350 CD1 LEU A 87 2.656 -3.379 0.726 1.00 0.00 C ATOM 1351 CD2 LEU A 87 3.238 -5.753 0.054 1.00 0.00 C ATOM 0 H LEU A 87 -0.244 -4.735 -1.546 1.00 0.00 H new ATOM 0 HA LEU A 87 0.780 -7.087 -0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.151 -4.274 0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.023 -5.481 1.671 1.00 0.00 H new ATOM 0 HG LEU A 87 1.966 -4.404 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.592 -3.057 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.911 -2.590 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.819 -3.586 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.157 -5.377 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.432 -6.050 1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.885 -6.615 -0.512 1.00 0.00 H new ATOM 1363 N VAL A 88 -2.297 -6.143 0.470 1.00 0.00 N ATOM 1364 CA VAL A 88 -3.549 -6.559 1.149 1.00 0.00 C ATOM 1365 C VAL A 88 -4.024 -7.913 0.577 1.00 0.00 C ATOM 1366 O VAL A 88 -4.575 -8.756 1.303 1.00 0.00 O ATOM 1367 CB VAL A 88 -4.691 -5.465 1.043 1.00 0.00 C ATOM 1368 CG1 VAL A 88 -5.992 -5.930 1.749 1.00 0.00 C ATOM 1369 CG2 VAL A 88 -4.221 -4.109 1.630 1.00 0.00 C ATOM 0 H VAL A 88 -2.417 -5.357 -0.169 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.330 -6.671 2.211 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.909 -5.329 -0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.753 -5.155 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.350 -6.848 1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.788 -6.114 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.024 -3.377 1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.959 -4.238 2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.349 -3.757 1.079 1.00 0.00 H new ATOM 1379 N ALA A 89 -3.762 -8.122 -0.727 1.00 0.00 N ATOM 1380 CA ALA A 89 -4.008 -9.408 -1.404 1.00 0.00 C ATOM 1381 C ALA A 89 -3.114 -10.500 -0.795 1.00 0.00 C ATOM 1382 O ALA A 89 -3.599 -11.561 -0.400 1.00 0.00 O ATOM 1383 CB ALA A 89 -3.775 -9.282 -2.925 1.00 0.00 C ATOM 0 H ALA A 89 -3.374 -7.405 -1.340 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.050 -9.690 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.963 -10.244 -3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.453 -8.534 -3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.745 -8.979 -3.111 1.00 0.00 H new ATOM 1389 N ALA A 90 -1.808 -10.189 -0.669 1.00 0.00 N ATOM 1390 CA ALA A 90 -0.805 -11.094 -0.060 1.00 0.00 C ATOM 1391 C ALA A 90 -1.096 -11.341 1.438 1.00 0.00 C ATOM 1392 O ALA A 90 -0.857 -12.435 1.955 1.00 0.00 O ATOM 1393 CB ALA A 90 0.612 -10.518 -0.252 1.00 0.00 C ATOM 0 H ALA A 90 -1.416 -9.302 -0.986 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.868 -12.057 -0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.342 -11.190 0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.822 -10.416 -1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.675 -9.540 0.226 1.00 0.00 H new