USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 688 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 73 GLN : amide:sc= 0.0904 X(o=0.09,f=0.06) USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 43:sc= 0.142 USER MOD Single : A 10 THR OG1 : rot 70:sc= 1.22 USER MOD Single : A 15 THR OG1 : rot 67:sc= 1.35 USER MOD Single : A 16 CYS SG : rot -53:sc= -1.95 USER MOD Single : A 22 THR OG1 : rot -51:sc= 1.25 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 27 SER OG : rot 88:sc= -0.532 USER MOD Single : A 28 HIS : no HD1:sc= -0.412 K(o=-0.41,f=-8.4!) 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+ -140:sc= 0 (180deg=-0.0988) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 72:sc= 1.15 USER MOD Single : A 62 GLN : amide:sc= -0.237 K(o=-0.24,f=-4.1!) USER MOD Single : A 65 ASN : amide:sc= -0.0735 X(o=-0.074,f=-0.57) USER MOD Single : A 68 LYS NZ :NH3+ 139:sc= 1.13 (180deg=0.129) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.722 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.131 K(o=-0.13,f=-0.67) USER MOD Single : A 91 LYS NZ :NH3+ -174:sc=-0.000661 (180deg=-0.054) USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 -6.582 -2.264 2.643 1.00 0.00 N ATOM 46 CA THR A 4 -5.129 -2.050 2.702 1.00 0.00 C ATOM 47 C THR A 4 -4.722 -0.843 1.830 1.00 0.00 C ATOM 48 O THR A 4 -3.912 -0.025 2.252 1.00 0.00 O ATOM 49 CB THR A 4 -4.367 -3.325 2.234 1.00 0.00 C ATOM 50 OG1 THR A 4 -4.840 -4.473 2.953 1.00 0.00 O ATOM 51 CG2 THR A 4 -2.846 -3.193 2.429 1.00 0.00 C ATOM 0 HA THR A 4 -4.860 -1.841 3.737 1.00 0.00 H new ATOM 0 HB THR A 4 -4.561 -3.445 1.168 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.817 -4.438 3.018 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.355 -4.105 2.089 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.477 -2.346 1.851 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.627 -3.035 3.485 1.00 0.00 H new ATOM 59 N PHE A 5 -5.335 -0.744 0.622 1.00 0.00 N ATOM 60 CA PHE A 5 -5.184 0.420 -0.285 1.00 0.00 C ATOM 61 C PHE A 5 -5.499 1.732 0.451 1.00 0.00 C ATOM 62 O PHE A 5 -4.706 2.669 0.418 1.00 0.00 O ATOM 63 CB PHE A 5 -6.110 0.269 -1.533 1.00 0.00 C ATOM 64 CG PHE A 5 -6.326 1.566 -2.338 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.259 2.219 -2.960 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.597 2.154 -2.433 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.454 3.406 -3.640 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.787 3.335 -3.123 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.714 3.961 -3.724 1.00 0.00 C ATOM 0 H PHE A 5 -5.948 -1.470 0.251 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.147 0.452 -0.620 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.685 -0.486 -2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.080 -0.104 -1.205 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.269 1.791 -2.909 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.441 1.675 -1.958 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.616 3.901 -4.108 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.774 3.768 -3.192 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.861 4.887 -4.261 1.00 0.00 H new ATOM 79 N ASP A 6 -6.664 1.756 1.110 1.00 0.00 N ATOM 80 CA ASP A 6 -7.170 2.946 1.811 1.00 0.00 C ATOM 81 C ASP A 6 -6.213 3.388 2.929 1.00 0.00 C ATOM 82 O ASP A 6 -5.906 4.575 3.045 1.00 0.00 O ATOM 83 CB ASP A 6 -8.571 2.662 2.394 1.00 0.00 C ATOM 84 CG ASP A 6 -9.175 3.870 3.136 1.00 0.00 C ATOM 85 OD1 ASP A 6 -9.567 4.848 2.464 1.00 0.00 O ATOM 86 OD2 ASP A 6 -9.250 3.847 4.387 1.00 0.00 O ATOM 0 H ASP A 6 -7.285 0.949 1.173 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.238 3.758 1.087 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.241 2.368 1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.508 1.817 3.080 1.00 0.00 H new ATOM 91 N ARG A 7 -5.729 2.413 3.722 1.00 0.00 N ATOM 92 CA ARG A 7 -4.830 2.668 4.863 1.00 0.00 C ATOM 93 C ARG A 7 -3.479 3.237 4.398 1.00 0.00 C ATOM 94 O ARG A 7 -2.944 4.154 5.020 1.00 0.00 O ATOM 95 CB ARG A 7 -4.594 1.372 5.684 1.00 0.00 C ATOM 96 CG ARG A 7 -5.868 0.700 6.241 1.00 0.00 C ATOM 97 CD ARG A 7 -6.717 1.643 7.106 1.00 0.00 C ATOM 98 NE ARG A 7 -7.872 0.953 7.709 1.00 0.00 N ATOM 99 CZ ARG A 7 -8.934 1.558 8.263 1.00 0.00 C ATOM 100 NH1 ARG A 7 -9.030 2.886 8.294 1.00 0.00 N ATOM 101 NH2 ARG A 7 -9.884 0.816 8.814 1.00 0.00 N ATOM 0 H ARG A 7 -5.951 1.426 3.589 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.318 3.408 5.497 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.070 0.653 5.054 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.933 1.606 6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.472 0.336 5.410 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.584 -0.170 6.834 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.096 2.068 7.895 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.070 2.474 6.496 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.863 -0.067 7.705 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.289 3.460 7.892 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.845 3.329 8.719 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.802 -0.201 8.813 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.697 1.262 9.239 1.00 0.00 H new ATOM 115 N VAL A 8 -2.951 2.697 3.289 1.00 0.00 N ATOM 116 CA VAL A 8 -1.666 3.136 2.709 1.00 0.00 C ATOM 117 C VAL A 8 -1.817 4.514 2.051 1.00 0.00 C ATOM 118 O VAL A 8 -0.920 5.346 2.128 1.00 0.00 O ATOM 119 CB VAL A 8 -1.141 2.084 1.671 1.00 0.00 C ATOM 120 CG1 VAL A 8 0.123 2.582 0.918 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.872 0.738 2.382 1.00 0.00 C ATOM 0 H VAL A 8 -3.400 1.944 2.767 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.935 3.217 3.514 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.915 1.941 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.449 1.820 0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.112 3.500 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.921 2.776 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.507 0.010 1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.123 0.881 3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.796 0.372 2.830 1.00 0.00 H new ATOM 131 N ALA A 9 -2.981 4.741 1.430 1.00 0.00 N ATOM 132 CA ALA A 9 -3.343 6.030 0.818 1.00 0.00 C ATOM 133 C ALA A 9 -3.451 7.130 1.892 1.00 0.00 C ATOM 134 O ALA A 9 -3.129 8.287 1.632 1.00 0.00 O ATOM 135 CB ALA A 9 -4.665 5.895 0.045 1.00 0.00 C ATOM 0 H ALA A 9 -3.706 4.030 1.336 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.558 6.317 0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.924 6.854 -0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.553 5.146 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.457 5.589 0.729 1.00 0.00 H new ATOM 141 N THR A 10 -3.942 6.737 3.087 1.00 0.00 N ATOM 142 CA THR A 10 -3.982 7.601 4.283 1.00 0.00 C ATOM 143 C THR A 10 -2.560 7.944 4.760 1.00 0.00 C ATOM 144 O THR A 10 -2.259 9.108 5.007 1.00 0.00 O ATOM 145 CB THR A 10 -4.775 6.918 5.449 1.00 0.00 C ATOM 146 OG1 THR A 10 -6.051 6.487 4.976 1.00 0.00 O ATOM 147 CG2 THR A 10 -4.987 7.853 6.656 1.00 0.00 C ATOM 0 H THR A 10 -4.324 5.805 3.248 1.00 0.00 H new ATOM 0 HA THR A 10 -4.495 8.521 4.002 1.00 0.00 H new ATOM 0 HB THR A 10 -4.175 6.072 5.783 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.934 5.737 4.356 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.542 7.325 7.432 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.019 8.164 7.050 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.550 8.732 6.341 1.00 0.00 H new ATOM 155 N ILE A 11 -1.700 6.911 4.867 1.00 0.00 N ATOM 156 CA ILE A 11 -0.285 7.064 5.283 1.00 0.00 C ATOM 157 C ILE A 11 0.464 8.028 4.335 1.00 0.00 C ATOM 158 O ILE A 11 1.129 8.950 4.796 1.00 0.00 O ATOM 159 CB ILE A 11 0.438 5.655 5.363 1.00 0.00 C ATOM 160 CG1 ILE A 11 -0.162 4.804 6.536 1.00 0.00 C ATOM 161 CG2 ILE A 11 1.979 5.783 5.497 1.00 0.00 C ATOM 162 CD1 ILE A 11 0.376 3.381 6.670 1.00 0.00 C ATOM 0 H ILE A 11 -1.964 5.946 4.668 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.269 7.500 6.282 1.00 0.00 H new ATOM 0 HB ILE A 11 0.252 5.140 4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.022 5.331 7.472 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.243 4.752 6.406 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.424 4.789 5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.376 6.315 4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.221 6.335 6.405 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.108 2.887 7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.168 2.826 5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.452 3.413 6.838 1.00 0.00 H new ATOM 174 N ILE A 12 0.291 7.830 3.016 1.00 0.00 N ATOM 175 CA ILE A 12 0.884 8.692 1.974 1.00 0.00 C ATOM 176 C ILE A 12 0.358 10.137 2.092 1.00 0.00 C ATOM 177 O ILE A 12 1.142 11.083 2.086 1.00 0.00 O ATOM 178 CB ILE A 12 0.590 8.117 0.530 1.00 0.00 C ATOM 179 CG1 ILE A 12 1.384 6.790 0.303 1.00 0.00 C ATOM 180 CG2 ILE A 12 0.882 9.151 -0.589 1.00 0.00 C ATOM 181 CD1 ILE A 12 1.185 6.129 -1.056 1.00 0.00 C ATOM 0 H ILE A 12 -0.267 7.064 2.639 1.00 0.00 H new ATOM 0 HA ILE A 12 1.963 8.704 2.126 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.476 7.898 0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.446 6.996 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.098 6.079 1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.664 8.707 -1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.256 10.031 -0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.932 9.442 -0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.780 5.217 -1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.132 5.883 -1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.501 6.814 -1.843 1.00 0.00 H new ATOM 193 N ALA A 13 -0.975 10.275 2.199 1.00 0.00 N ATOM 194 CA ALA A 13 -1.664 11.569 2.398 1.00 0.00 C ATOM 195 C ALA A 13 -1.091 12.370 3.593 1.00 0.00 C ATOM 196 O ALA A 13 -0.852 13.575 3.493 1.00 0.00 O ATOM 197 CB ALA A 13 -3.174 11.327 2.575 1.00 0.00 C ATOM 0 H ALA A 13 -1.615 9.483 2.149 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.493 12.177 1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.681 12.281 2.722 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.571 10.838 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.341 10.690 3.444 1.00 0.00 H new ATOM 203 N GLU A 14 -0.865 11.663 4.705 1.00 0.00 N ATOM 204 CA GLU A 14 -0.260 12.215 5.924 1.00 0.00 C ATOM 205 C GLU A 14 1.208 12.625 5.699 1.00 0.00 C ATOM 206 O GLU A 14 1.624 13.710 6.120 1.00 0.00 O ATOM 207 CB GLU A 14 -0.357 11.171 7.072 1.00 0.00 C ATOM 208 CG GLU A 14 -1.782 10.935 7.612 1.00 0.00 C ATOM 209 CD GLU A 14 -2.352 12.160 8.350 1.00 0.00 C ATOM 210 OE1 GLU A 14 -2.008 12.364 9.535 1.00 0.00 O ATOM 211 OE2 GLU A 14 -3.139 12.928 7.753 1.00 0.00 O ATOM 0 H GLU A 14 -1.101 10.674 4.786 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.811 13.115 6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.043 10.222 6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.279 11.497 7.895 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.441 10.677 6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.772 10.081 8.289 1.00 0.00 H new ATOM 218 N THR A 15 1.975 11.762 5.005 1.00 0.00 N ATOM 219 CA THR A 15 3.438 11.910 4.890 1.00 0.00 C ATOM 220 C THR A 15 3.816 13.030 3.908 1.00 0.00 C ATOM 221 O THR A 15 4.575 13.931 4.261 1.00 0.00 O ATOM 222 CB THR A 15 4.113 10.566 4.460 1.00 0.00 C ATOM 223 OG1 THR A 15 3.705 9.537 5.360 1.00 0.00 O ATOM 224 CG2 THR A 15 5.655 10.653 4.446 1.00 0.00 C ATOM 0 H THR A 15 1.602 10.950 4.513 1.00 0.00 H new ATOM 0 HA THR A 15 3.810 12.183 5.878 1.00 0.00 H new ATOM 0 HB THR A 15 3.794 10.345 3.441 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.746 9.367 5.249 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.071 9.693 4.141 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.970 11.425 3.743 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.014 10.903 5.444 1.00 0.00 H new ATOM 232 N CYS A 16 3.239 12.989 2.697 1.00 0.00 N ATOM 233 CA CYS A 16 3.573 13.899 1.588 1.00 0.00 C ATOM 234 C CYS A 16 2.701 15.177 1.608 1.00 0.00 C ATOM 235 O CYS A 16 2.835 16.027 0.718 1.00 0.00 O ATOM 236 CB CYS A 16 3.366 13.129 0.260 1.00 0.00 C ATOM 237 SG CYS A 16 4.202 11.523 0.206 1.00 0.00 S ATOM 0 H CYS A 16 2.515 12.312 2.456 1.00 0.00 H new ATOM 0 HA CYS A 16 4.609 14.223 1.691 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.298 12.977 0.102 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.727 13.743 -0.565 1.00 0.00 H new ATOM 0 HG CYS A 16 5.461 11.679 0.492 1.00 0.00 H new ATOM 243 N ASP A 17 1.847 15.305 2.652 1.00 0.00 N ATOM 244 CA ASP A 17 0.861 16.395 2.820 1.00 0.00 C ATOM 245 C ASP A 17 -0.015 16.601 1.555 1.00 0.00 C ATOM 246 O ASP A 17 0.188 17.532 0.774 1.00 0.00 O ATOM 247 CB ASP A 17 1.571 17.701 3.285 1.00 0.00 C ATOM 248 CG ASP A 17 0.594 18.839 3.624 1.00 0.00 C ATOM 249 OD1 ASP A 17 -0.199 18.679 4.577 1.00 0.00 O ATOM 250 OD2 ASP A 17 0.597 19.885 2.935 1.00 0.00 O ATOM 0 H ASP A 17 1.826 14.634 3.420 1.00 0.00 H new ATOM 0 HA ASP A 17 0.165 16.103 3.606 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.181 17.482 4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.250 18.036 2.501 1.00 0.00 H new ATOM 255 N ILE A 18 -0.966 15.676 1.356 1.00 0.00 N ATOM 256 CA ILE A 18 -1.908 15.668 0.209 1.00 0.00 C ATOM 257 C ILE A 18 -3.258 15.054 0.654 1.00 0.00 C ATOM 258 O ILE A 18 -3.302 14.353 1.667 1.00 0.00 O ATOM 259 CB ILE A 18 -1.336 14.884 -1.059 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.563 13.592 -0.627 1.00 0.00 C ATOM 261 CG2 ILE A 18 -0.467 15.798 -1.957 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.008 12.767 -1.769 1.00 0.00 C ATOM 0 H ILE A 18 -1.111 14.895 1.996 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.050 16.703 -0.103 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.190 14.570 -1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.253 13.881 0.035 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.237 12.962 -0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.097 15.226 -2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.068 16.634 -2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.377 16.178 -1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.523 11.895 -1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.801 12.440 -2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.712 13.373 -2.339 1.00 0.00 H new ATOM 274 N PRO A 19 -4.397 15.354 -0.054 1.00 0.00 N ATOM 275 CA PRO A 19 -5.688 14.668 0.192 1.00 0.00 C ATOM 276 C PRO A 19 -5.607 13.177 -0.205 1.00 0.00 C ATOM 277 O PRO A 19 -5.054 12.858 -1.253 1.00 0.00 O ATOM 278 CB PRO A 19 -6.705 15.437 -0.708 1.00 0.00 C ATOM 279 CG PRO A 19 -6.012 16.714 -1.086 1.00 0.00 C ATOM 280 CD PRO A 19 -4.534 16.395 -1.111 1.00 0.00 C ATOM 0 HA PRO A 19 -5.974 14.678 1.244 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.967 14.855 -1.592 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.633 15.637 -0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.351 17.068 -2.059 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.229 17.503 -0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.218 16.024 -2.086 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.928 17.274 -0.892 1.00 0.00 H new ATOM 288 N ARG A 20 -6.178 12.284 0.628 1.00 0.00 N ATOM 289 CA ARG A 20 -6.177 10.812 0.398 1.00 0.00 C ATOM 290 C ARG A 20 -6.822 10.424 -0.951 1.00 0.00 C ATOM 291 O ARG A 20 -6.410 9.447 -1.590 1.00 0.00 O ATOM 292 CB ARG A 20 -6.941 10.104 1.545 1.00 0.00 C ATOM 293 CG ARG A 20 -6.951 8.556 1.466 1.00 0.00 C ATOM 294 CD ARG A 20 -8.058 7.919 2.314 1.00 0.00 C ATOM 295 NE ARG A 20 -7.967 8.289 3.738 1.00 0.00 N ATOM 296 CZ ARG A 20 -8.798 7.862 4.703 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.747 6.969 4.447 1.00 0.00 N ATOM 298 NH2 ARG A 20 -8.630 8.295 5.942 1.00 0.00 N ATOM 0 H ARG A 20 -6.657 12.558 1.486 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.135 10.492 0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.497 10.402 2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.971 10.460 1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.077 8.252 0.427 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.984 8.175 1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.029 8.224 1.925 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.003 6.834 2.220 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.213 8.919 4.012 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.854 6.595 3.504 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.368 6.657 5.193 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.875 8.947 6.157 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.255 7.977 6.683 1.00 0.00 H new ATOM 312 N GLU A 21 -7.792 11.238 -1.387 1.00 0.00 N ATOM 313 CA GLU A 21 -8.627 10.965 -2.571 1.00 0.00 C ATOM 314 C GLU A 21 -7.828 11.156 -3.874 1.00 0.00 C ATOM 315 O GLU A 21 -8.189 10.598 -4.914 1.00 0.00 O ATOM 316 CB GLU A 21 -9.874 11.893 -2.542 1.00 0.00 C ATOM 317 CG GLU A 21 -9.552 13.408 -2.494 1.00 0.00 C ATOM 318 CD GLU A 21 -10.794 14.278 -2.245 1.00 0.00 C ATOM 319 OE1 GLU A 21 -11.203 14.420 -1.067 1.00 0.00 O ATOM 320 OE2 GLU A 21 -11.377 14.812 -3.218 1.00 0.00 O ATOM 0 H GLU A 21 -8.024 12.117 -0.924 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.952 9.925 -2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.480 11.692 -3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.481 11.637 -1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.821 13.594 -1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.089 13.706 -3.435 1.00 0.00 H new ATOM 327 N THR A 22 -6.726 11.937 -3.803 1.00 0.00 N ATOM 328 CA THR A 22 -5.862 12.202 -4.963 1.00 0.00 C ATOM 329 C THR A 22 -4.889 11.033 -5.210 1.00 0.00 C ATOM 330 O THR A 22 -4.160 11.031 -6.202 1.00 0.00 O ATOM 331 CB THR A 22 -5.069 13.544 -4.794 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.114 13.437 -3.727 1.00 0.00 O ATOM 333 CG2 THR A 22 -6.009 14.726 -4.514 1.00 0.00 C ATOM 0 H THR A 22 -6.417 12.395 -2.945 1.00 0.00 H new ATOM 0 HA THR A 22 -6.511 12.300 -5.833 1.00 0.00 H new ATOM 0 HB THR A 22 -4.549 13.729 -5.734 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.560 13.103 -2.921 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.423 15.638 -4.403 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.706 14.841 -5.344 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.566 14.538 -3.596 1.00 0.00 H new ATOM 341 N ILE A 23 -4.877 10.056 -4.284 1.00 0.00 N ATOM 342 CA ILE A 23 -4.166 8.786 -4.453 1.00 0.00 C ATOM 343 C ILE A 23 -5.155 7.778 -5.096 1.00 0.00 C ATOM 344 O ILE A 23 -6.153 7.414 -4.473 1.00 0.00 O ATOM 345 CB ILE A 23 -3.630 8.221 -3.065 1.00 0.00 C ATOM 346 CG1 ILE A 23 -2.551 9.158 -2.395 1.00 0.00 C ATOM 347 CG2 ILE A 23 -3.076 6.794 -3.234 1.00 0.00 C ATOM 348 CD1 ILE A 23 -3.086 10.396 -1.705 1.00 0.00 C ATOM 0 H ILE A 23 -5.366 10.132 -3.392 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.294 8.939 -5.089 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.486 8.194 -2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.992 8.572 -1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.843 9.471 -3.162 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.715 6.428 -2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.866 6.138 -3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.254 6.805 -3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.257 10.963 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.617 11.015 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.769 10.102 -0.908 1.00 0.00 H new ATOM 360 N THR A 24 -4.902 7.379 -6.355 1.00 0.00 N ATOM 361 CA THR A 24 -5.755 6.413 -7.091 1.00 0.00 C ATOM 362 C THR A 24 -5.180 4.979 -6.966 1.00 0.00 C ATOM 363 O THR A 24 -4.000 4.820 -6.603 1.00 0.00 O ATOM 364 CB THR A 24 -5.890 6.831 -8.601 1.00 0.00 C ATOM 365 OG1 THR A 24 -4.608 6.843 -9.241 1.00 0.00 O ATOM 366 CG2 THR A 24 -6.561 8.212 -8.744 1.00 0.00 C ATOM 0 H THR A 24 -4.104 7.713 -6.895 1.00 0.00 H new ATOM 0 HA THR A 24 -6.750 6.423 -6.647 1.00 0.00 H new ATOM 0 HB THR A 24 -6.523 6.090 -9.089 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.713 7.104 -10.180 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.639 8.471 -9.800 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.558 8.180 -8.304 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.961 8.963 -8.230 1.00 0.00 H new ATOM 374 N PRO A 25 -6.003 3.895 -7.220 1.00 0.00 N ATOM 375 CA PRO A 25 -5.496 2.494 -7.215 1.00 0.00 C ATOM 376 C PRO A 25 -4.386 2.253 -8.263 1.00 0.00 C ATOM 377 O PRO A 25 -3.437 1.502 -8.024 1.00 0.00 O ATOM 378 CB PRO A 25 -6.760 1.647 -7.526 1.00 0.00 C ATOM 379 CG PRO A 25 -7.905 2.528 -7.129 1.00 0.00 C ATOM 380 CD PRO A 25 -7.474 3.935 -7.466 1.00 0.00 C ATOM 0 HA PRO A 25 -5.027 2.237 -6.266 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.810 1.381 -8.582 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.762 0.714 -6.962 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.813 2.257 -7.668 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.124 2.430 -6.066 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.705 4.193 -8.500 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.970 4.673 -6.835 1.00 0.00 H new ATOM 388 N GLU A 26 -4.501 2.963 -9.398 1.00 0.00 N ATOM 389 CA GLU A 26 -3.591 2.822 -10.557 1.00 0.00 C ATOM 390 C GLU A 26 -2.453 3.865 -10.496 1.00 0.00 C ATOM 391 O GLU A 26 -1.700 4.039 -11.466 1.00 0.00 O ATOM 392 CB GLU A 26 -4.416 2.967 -11.863 1.00 0.00 C ATOM 393 CG GLU A 26 -5.165 4.310 -12.010 1.00 0.00 C ATOM 394 CD GLU A 26 -6.075 4.355 -13.248 1.00 0.00 C ATOM 395 OE1 GLU A 26 -7.240 3.916 -13.155 1.00 0.00 O ATOM 396 OE2 GLU A 26 -5.628 4.802 -14.324 1.00 0.00 O ATOM 0 H GLU A 26 -5.233 3.658 -9.542 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.124 1.837 -10.535 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.746 2.845 -12.714 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.142 2.155 -11.910 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.766 4.485 -11.117 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.439 5.121 -12.069 1.00 0.00 H new ATOM 403 N SER A 27 -2.330 4.542 -9.336 1.00 0.00 N ATOM 404 CA SER A 27 -1.306 5.562 -9.109 1.00 0.00 C ATOM 405 C SER A 27 0.032 4.907 -8.792 1.00 0.00 C ATOM 406 O SER A 27 0.101 4.028 -7.926 1.00 0.00 O ATOM 407 CB SER A 27 -1.705 6.492 -7.946 1.00 0.00 C ATOM 408 OG SER A 27 -0.762 7.520 -7.773 1.00 0.00 O ATOM 0 H SER A 27 -2.942 4.391 -8.534 1.00 0.00 H new ATOM 0 HA SER A 27 -1.215 6.153 -10.020 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.686 6.924 -8.142 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.789 5.913 -7.026 1.00 0.00 H new ATOM 0 HG SER A 27 -1.001 8.282 -8.341 1.00 0.00 H new ATOM 414 N HIS A 28 1.077 5.317 -9.516 1.00 0.00 N ATOM 415 CA HIS A 28 2.453 4.973 -9.175 1.00 0.00 C ATOM 416 C HIS A 28 2.924 5.974 -8.112 1.00 0.00 C ATOM 417 O HIS A 28 2.919 7.169 -8.371 1.00 0.00 O ATOM 418 CB HIS A 28 3.346 5.035 -10.438 1.00 0.00 C ATOM 419 CG HIS A 28 4.693 4.391 -10.251 1.00 0.00 C ATOM 420 ND1 HIS A 28 5.715 5.029 -9.592 1.00 0.00 N ATOM 421 CD2 HIS A 28 5.124 3.171 -10.646 1.00 0.00 C ATOM 422 CE1 HIS A 28 6.730 4.190 -9.603 1.00 0.00 C ATOM 423 NE2 HIS A 28 6.422 3.053 -10.236 1.00 0.00 N ATOM 0 H HIS A 28 0.990 5.895 -10.352 1.00 0.00 H new ATOM 0 HA HIS A 28 2.518 3.957 -8.785 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.829 4.545 -11.263 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.487 6.078 -10.723 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.551 2.430 -11.184 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.692 4.395 -9.156 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.037 2.253 -10.384 1.00 0.00 H new ATOM 431 N ALA A 29 3.284 5.495 -6.915 1.00 0.00 N ATOM 432 CA ALA A 29 3.749 6.344 -5.798 1.00 0.00 C ATOM 433 C ALA A 29 4.826 7.369 -6.213 1.00 0.00 C ATOM 434 O ALA A 29 4.748 8.538 -5.852 1.00 0.00 O ATOM 435 CB ALA A 29 4.279 5.448 -4.673 1.00 0.00 C ATOM 0 H ALA A 29 3.263 4.501 -6.687 1.00 0.00 H new ATOM 0 HA ALA A 29 2.893 6.926 -5.457 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.624 6.068 -3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.482 4.790 -4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.108 4.847 -5.046 1.00 0.00 H new ATOM 441 N ILE A 30 5.767 6.948 -7.060 1.00 0.00 N ATOM 442 CA ILE A 30 6.966 7.751 -7.365 1.00 0.00 C ATOM 443 C ILE A 30 6.726 8.611 -8.627 1.00 0.00 C ATOM 444 O ILE A 30 7.005 9.811 -8.631 1.00 0.00 O ATOM 445 CB ILE A 30 8.233 6.832 -7.535 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.419 5.943 -6.256 1.00 0.00 C ATOM 447 CG2 ILE A 30 9.513 7.661 -7.844 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.559 4.942 -6.330 1.00 0.00 C ATOM 0 H ILE A 30 5.727 6.055 -7.551 1.00 0.00 H new ATOM 0 HA ILE A 30 7.157 8.420 -6.526 1.00 0.00 H new ATOM 0 HB ILE A 30 8.071 6.181 -8.394 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.584 6.596 -5.399 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.491 5.401 -6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.364 6.989 -7.954 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.370 8.220 -8.769 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.703 8.356 -7.026 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.607 4.376 -5.400 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.390 4.259 -7.163 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.499 5.472 -6.481 1.00 0.00 H new ATOM 460 N ASP A 31 6.152 7.985 -9.672 1.00 0.00 N ATOM 461 CA ASP A 31 5.977 8.602 -11.009 1.00 0.00 C ATOM 462 C ASP A 31 4.714 9.494 -11.084 1.00 0.00 C ATOM 463 O ASP A 31 4.700 10.501 -11.802 1.00 0.00 O ATOM 464 CB ASP A 31 5.938 7.491 -12.101 1.00 0.00 C ATOM 465 CG ASP A 31 5.793 8.040 -13.538 1.00 0.00 C ATOM 466 OD1 ASP A 31 6.778 8.591 -14.073 1.00 0.00 O ATOM 467 OD2 ASP A 31 4.695 7.928 -14.129 1.00 0.00 O ATOM 0 H ASP A 31 5.793 7.032 -9.616 1.00 0.00 H new ATOM 0 HA ASP A 31 6.831 9.255 -11.189 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.851 6.899 -12.038 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.106 6.818 -11.893 1.00 0.00 H new ATOM 472 N ASP A 32 3.655 9.122 -10.344 1.00 0.00 N ATOM 473 CA ASP A 32 2.352 9.836 -10.365 1.00 0.00 C ATOM 474 C ASP A 32 2.276 10.820 -9.194 1.00 0.00 C ATOM 475 O ASP A 32 2.251 12.040 -9.398 1.00 0.00 O ATOM 476 CB ASP A 32 1.177 8.822 -10.299 1.00 0.00 C ATOM 477 CG ASP A 32 -0.205 9.463 -10.510 1.00 0.00 C ATOM 478 OD1 ASP A 32 -0.793 9.982 -9.536 1.00 0.00 O ATOM 479 OD2 ASP A 32 -0.712 9.444 -11.653 1.00 0.00 O ATOM 0 H ASP A 32 3.671 8.320 -9.713 1.00 0.00 H new ATOM 0 HA ASP A 32 2.271 10.394 -11.298 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.330 8.052 -11.055 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.193 8.324 -9.330 1.00 0.00 H new ATOM 484 N LEU A 33 2.291 10.274 -7.953 1.00 0.00 N ATOM 485 CA LEU A 33 2.169 11.077 -6.712 1.00 0.00 C ATOM 486 C LEU A 33 3.428 11.933 -6.467 1.00 0.00 C ATOM 487 O LEU A 33 3.425 12.798 -5.586 1.00 0.00 O ATOM 488 CB LEU A 33 1.908 10.150 -5.489 1.00 0.00 C ATOM 489 CG LEU A 33 0.630 9.265 -5.564 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.543 8.296 -4.364 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.643 10.134 -5.698 1.00 0.00 C ATOM 0 H LEU A 33 2.387 9.273 -7.785 1.00 0.00 H new ATOM 0 HA LEU A 33 1.322 11.751 -6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.771 9.497 -5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.844 10.770 -4.595 1.00 0.00 H new ATOM 0 HG LEU A 33 0.701 8.653 -6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.361 7.693 -4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.416 7.643 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.513 8.867 -3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.520 9.489 -5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.726 10.793 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.581 10.733 -6.607 1.00 0.00 H new ATOM 503 N GLY A 34 4.500 11.660 -7.241 1.00 0.00 N ATOM 504 CA GLY A 34 5.742 12.431 -7.172 1.00 0.00 C ATOM 505 C GLY A 34 6.476 12.264 -5.853 1.00 0.00 C ATOM 506 O GLY A 34 7.134 13.195 -5.389 1.00 0.00 O ATOM 0 H GLY A 34 4.521 10.903 -7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.398 12.125 -7.987 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.516 13.486 -7.324 1.00 0.00 H new ATOM 510 N ILE A 35 6.353 11.074 -5.250 1.00 0.00 N ATOM 511 CA ILE A 35 7.012 10.745 -3.981 1.00 0.00 C ATOM 512 C ILE A 35 8.444 10.317 -4.290 1.00 0.00 C ATOM 513 O ILE A 35 8.648 9.396 -5.089 1.00 0.00 O ATOM 514 CB ILE A 35 6.277 9.576 -3.222 1.00 0.00 C ATOM 515 CG1 ILE A 35 4.785 9.942 -2.946 1.00 0.00 C ATOM 516 CG2 ILE A 35 7.010 9.202 -1.906 1.00 0.00 C ATOM 517 CD1 ILE A 35 3.945 8.788 -2.419 1.00 0.00 C ATOM 0 H ILE A 35 5.792 10.311 -5.630 1.00 0.00 H new ATOM 0 HA ILE A 35 6.987 11.624 -3.336 1.00 0.00 H new ATOM 0 HB ILE A 35 6.297 8.699 -3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.751 10.760 -2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.337 10.311 -3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.475 8.393 -1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.026 8.879 -2.134 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.044 10.071 -1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.923 9.128 -2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.945 7.976 -3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.365 8.432 -1.478 1.00 0.00 H new ATOM 529 N ASP A 36 9.426 11.002 -3.692 1.00 0.00 N ATOM 530 CA ASP A 36 10.845 10.633 -3.818 1.00 0.00 C ATOM 531 C ASP A 36 11.077 9.219 -3.246 1.00 0.00 C ATOM 532 O ASP A 36 10.423 8.834 -2.279 1.00 0.00 O ATOM 533 CB ASP A 36 11.722 11.675 -3.081 1.00 0.00 C ATOM 534 CG ASP A 36 13.219 11.509 -3.369 1.00 0.00 C ATOM 535 OD1 ASP A 36 13.711 12.096 -4.351 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.904 10.781 -2.626 1.00 0.00 O ATOM 0 H ASP A 36 9.263 11.824 -3.110 1.00 0.00 H new ATOM 0 HA ASP A 36 11.125 10.625 -4.871 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.410 12.677 -3.375 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.553 11.590 -2.008 1.00 0.00 H new ATOM 541 N SER A 37 12.011 8.466 -3.846 1.00 0.00 N ATOM 542 CA SER A 37 12.290 7.066 -3.475 1.00 0.00 C ATOM 543 C SER A 37 12.725 6.939 -1.994 1.00 0.00 C ATOM 544 O SER A 37 12.356 5.980 -1.319 1.00 0.00 O ATOM 545 CB SER A 37 13.372 6.499 -4.412 1.00 0.00 C ATOM 546 OG SER A 37 12.980 6.608 -5.777 1.00 0.00 O ATOM 0 H SER A 37 12.598 8.810 -4.606 1.00 0.00 H new ATOM 0 HA SER A 37 11.372 6.489 -3.586 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.309 7.034 -4.256 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.558 5.453 -4.167 1.00 0.00 H new ATOM 0 HG SER A 37 13.686 6.242 -6.350 1.00 0.00 H new ATOM 552 N LEU A 38 13.459 7.953 -1.494 1.00 0.00 N ATOM 553 CA LEU A 38 13.967 7.984 -0.105 1.00 0.00 C ATOM 554 C LEU A 38 12.811 8.274 0.874 1.00 0.00 C ATOM 555 O LEU A 38 12.784 7.759 1.999 1.00 0.00 O ATOM 556 CB LEU A 38 15.074 9.068 0.041 1.00 0.00 C ATOM 557 CG LEU A 38 16.272 8.977 -0.960 1.00 0.00 C ATOM 558 CD1 LEU A 38 17.264 10.151 -0.758 1.00 0.00 C ATOM 559 CD2 LEU A 38 16.977 7.604 -0.866 1.00 0.00 C ATOM 0 H LEU A 38 13.717 8.774 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 38 14.397 7.011 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 38 14.610 10.048 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.471 9.017 1.055 1.00 0.00 H new ATOM 0 HG LEU A 38 15.871 9.065 -1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 38 18.086 10.059 -1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 38 16.747 11.097 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 38 17.658 10.124 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.805 7.571 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 38 17.358 7.459 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.266 6.813 -1.103 1.00 0.00 H new ATOM 571 N ASP A 39 11.852 9.107 0.414 1.00 0.00 N ATOM 572 CA ASP A 39 10.631 9.439 1.183 1.00 0.00 C ATOM 573 C ASP A 39 9.655 8.249 1.183 1.00 0.00 C ATOM 574 O ASP A 39 8.916 8.046 2.145 1.00 0.00 O ATOM 575 CB ASP A 39 9.929 10.709 0.618 1.00 0.00 C ATOM 576 CG ASP A 39 8.692 11.124 1.448 1.00 0.00 C ATOM 577 OD1 ASP A 39 8.861 11.447 2.647 1.00 0.00 O ATOM 578 OD2 ASP A 39 7.557 11.145 0.912 1.00 0.00 O ATOM 0 H ASP A 39 11.901 9.566 -0.495 1.00 0.00 H new ATOM 0 HA ASP A 39 10.934 9.650 2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.641 11.534 0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.625 10.524 -0.412 1.00 0.00 H new ATOM 583 N PHE A 40 9.675 7.452 0.101 1.00 0.00 N ATOM 584 CA PHE A 40 8.828 6.254 -0.019 1.00 0.00 C ATOM 585 C PHE A 40 9.388 5.107 0.845 1.00 0.00 C ATOM 586 O PHE A 40 8.647 4.201 1.221 1.00 0.00 O ATOM 587 CB PHE A 40 8.679 5.810 -1.500 1.00 0.00 C ATOM 588 CG PHE A 40 7.623 4.715 -1.684 1.00 0.00 C ATOM 589 CD1 PHE A 40 6.273 4.993 -1.436 1.00 0.00 C ATOM 590 CD2 PHE A 40 7.968 3.415 -2.053 1.00 0.00 C ATOM 591 CE1 PHE A 40 5.313 4.007 -1.557 1.00 0.00 C ATOM 592 CE2 PHE A 40 6.999 2.434 -2.177 1.00 0.00 C ATOM 593 CZ PHE A 40 5.677 2.728 -1.928 1.00 0.00 C ATOM 0 H PHE A 40 10.273 7.618 -0.708 1.00 0.00 H new ATOM 0 HA PHE A 40 7.834 6.509 0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.411 6.673 -2.109 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.640 5.448 -1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.979 5.991 -1.146 1.00 0.00 H new ATOM 0 HD2 PHE A 40 9.003 3.171 -2.244 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.276 4.237 -1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.281 1.434 -2.470 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.925 1.958 -2.023 1.00 0.00 H new ATOM 603 N LEU A 41 10.703 5.149 1.143 1.00 0.00 N ATOM 604 CA LEU A 41 11.331 4.249 2.139 1.00 0.00 C ATOM 605 C LEU A 41 10.743 4.526 3.540 1.00 0.00 C ATOM 606 O LEU A 41 10.477 3.596 4.306 1.00 0.00 O ATOM 607 CB LEU A 41 12.875 4.439 2.146 1.00 0.00 C ATOM 608 CG LEU A 41 13.624 4.005 0.848 1.00 0.00 C ATOM 609 CD1 LEU A 41 15.123 4.370 0.907 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.425 2.503 0.581 1.00 0.00 C ATOM 0 H LEU A 41 11.356 5.800 0.706 1.00 0.00 H new ATOM 0 HA LEU A 41 11.117 3.215 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.091 5.491 2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 41 13.286 3.877 2.984 1.00 0.00 H new ATOM 0 HG LEU A 41 13.191 4.558 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.611 4.052 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.231 5.449 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.587 3.867 1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.956 2.222 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.816 1.929 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.362 2.292 0.461 1.00 0.00 H new ATOM 622 N ASP A 42 10.522 5.823 3.830 1.00 0.00 N ATOM 623 CA ASP A 42 9.896 6.293 5.087 1.00 0.00 C ATOM 624 C ASP A 42 8.428 5.833 5.167 1.00 0.00 C ATOM 625 O ASP A 42 7.979 5.336 6.208 1.00 0.00 O ATOM 626 CB ASP A 42 9.994 7.841 5.182 1.00 0.00 C ATOM 627 CG ASP A 42 9.292 8.436 6.421 1.00 0.00 C ATOM 628 OD1 ASP A 42 9.904 8.477 7.511 1.00 0.00 O ATOM 629 OD2 ASP A 42 8.123 8.867 6.309 1.00 0.00 O ATOM 0 H ASP A 42 10.774 6.581 3.196 1.00 0.00 H new ATOM 0 HA ASP A 42 10.432 5.857 5.930 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.045 8.129 5.199 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.558 8.279 4.284 1.00 0.00 H new ATOM 634 N ILE A 43 7.699 6.004 4.044 1.00 0.00 N ATOM 635 CA ILE A 43 6.286 5.580 3.924 1.00 0.00 C ATOM 636 C ILE A 43 6.164 4.057 4.073 1.00 0.00 C ATOM 637 O ILE A 43 5.262 3.565 4.752 1.00 0.00 O ATOM 638 CB ILE A 43 5.651 6.028 2.552 1.00 0.00 C ATOM 639 CG1 ILE A 43 5.702 7.579 2.418 1.00 0.00 C ATOM 640 CG2 ILE A 43 4.197 5.501 2.386 1.00 0.00 C ATOM 641 CD1 ILE A 43 5.125 8.135 1.130 1.00 0.00 C ATOM 0 H ILE A 43 8.070 6.437 3.198 1.00 0.00 H new ATOM 0 HA ILE A 43 5.737 6.070 4.728 1.00 0.00 H new ATOM 0 HB ILE A 43 6.242 5.586 1.750 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.164 8.018 3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.740 7.901 2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.797 5.832 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.199 4.412 2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.575 5.889 3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.208 9.222 1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.676 7.732 0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.076 7.851 1.049 1.00 0.00 H new ATOM 653 N ALA A 44 7.123 3.331 3.472 1.00 0.00 N ATOM 654 CA ALA A 44 7.140 1.861 3.472 1.00 0.00 C ATOM 655 C ALA A 44 7.427 1.328 4.884 1.00 0.00 C ATOM 656 O ALA A 44 6.895 0.297 5.281 1.00 0.00 O ATOM 657 CB ALA A 44 8.189 1.330 2.483 1.00 0.00 C ATOM 0 H ALA A 44 7.908 3.749 2.973 1.00 0.00 H new ATOM 0 HA ALA A 44 6.158 1.509 3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.185 0.240 2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.951 1.679 1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.176 1.693 2.769 1.00 0.00 H new ATOM 663 N PHE A 45 8.290 2.055 5.617 1.00 0.00 N ATOM 664 CA PHE A 45 8.656 1.729 7.008 1.00 0.00 C ATOM 665 C PHE A 45 7.507 2.088 7.981 1.00 0.00 C ATOM 666 O PHE A 45 7.396 1.503 9.060 1.00 0.00 O ATOM 667 CB PHE A 45 9.970 2.460 7.397 1.00 0.00 C ATOM 668 CG PHE A 45 10.718 1.849 8.585 1.00 0.00 C ATOM 669 CD1 PHE A 45 11.215 0.546 8.508 1.00 0.00 C ATOM 670 CD2 PHE A 45 10.953 2.573 9.753 1.00 0.00 C ATOM 671 CE1 PHE A 45 11.917 -0.006 9.562 1.00 0.00 C ATOM 672 CE2 PHE A 45 11.652 2.015 10.804 1.00 0.00 C ATOM 673 CZ PHE A 45 12.134 0.727 10.708 1.00 0.00 C ATOM 0 H PHE A 45 8.755 2.889 5.259 1.00 0.00 H new ATOM 0 HA PHE A 45 8.824 0.655 7.083 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.634 2.468 6.533 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.736 3.499 7.629 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.049 -0.037 7.614 1.00 0.00 H new ATOM 0 HD2 PHE A 45 10.583 3.584 9.836 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.296 -1.014 9.487 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.822 2.588 11.703 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.682 0.293 11.531 1.00 0.00 H new ATOM 683 N ALA A 46 6.655 3.052 7.582 1.00 0.00 N ATOM 684 CA ALA A 46 5.429 3.405 8.332 1.00 0.00 C ATOM 685 C ALA A 46 4.369 2.297 8.188 1.00 0.00 C ATOM 686 O ALA A 46 3.680 1.956 9.147 1.00 0.00 O ATOM 687 CB ALA A 46 4.860 4.743 7.850 1.00 0.00 C ATOM 0 H ALA A 46 6.794 3.606 6.737 1.00 0.00 H new ATOM 0 HA ALA A 46 5.695 3.502 9.385 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.959 4.981 8.416 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.601 5.529 8.000 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.614 4.673 6.790 1.00 0.00 H new ATOM 693 N ILE A 47 4.257 1.770 6.958 1.00 0.00 N ATOM 694 CA ILE A 47 3.399 0.613 6.622 1.00 0.00 C ATOM 695 C ILE A 47 3.917 -0.654 7.333 1.00 0.00 C ATOM 696 O ILE A 47 3.139 -1.465 7.838 1.00 0.00 O ATOM 697 CB ILE A 47 3.397 0.378 5.064 1.00 0.00 C ATOM 698 CG1 ILE A 47 2.819 1.613 4.299 1.00 0.00 C ATOM 699 CG2 ILE A 47 2.640 -0.913 4.679 1.00 0.00 C ATOM 700 CD1 ILE A 47 3.046 1.587 2.791 1.00 0.00 C ATOM 0 H ILE A 47 4.766 2.138 6.154 1.00 0.00 H new ATOM 0 HA ILE A 47 2.383 0.822 6.956 1.00 0.00 H new ATOM 0 HB ILE A 47 4.436 0.253 4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.748 1.675 4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.268 2.519 4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.662 -1.038 3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.118 -1.770 5.153 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.606 -0.842 5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.613 2.481 2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.116 1.559 2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.572 0.702 2.367 1.00 0.00 H new ATOM 712 N ASP A 48 5.251 -0.783 7.350 1.00 0.00 N ATOM 713 CA ASP A 48 5.987 -1.904 7.972 1.00 0.00 C ATOM 714 C ASP A 48 5.574 -2.040 9.453 1.00 0.00 C ATOM 715 O ASP A 48 5.240 -3.130 9.931 1.00 0.00 O ATOM 716 CB ASP A 48 7.506 -1.605 7.840 1.00 0.00 C ATOM 717 CG ASP A 48 8.445 -2.801 8.040 1.00 0.00 C ATOM 718 OD1 ASP A 48 8.749 -3.152 9.195 1.00 0.00 O ATOM 719 OD2 ASP A 48 8.912 -3.375 7.040 1.00 0.00 O ATOM 0 H ASP A 48 5.869 -0.094 6.921 1.00 0.00 H new ATOM 0 HA ASP A 48 5.755 -2.847 7.476 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.689 -1.186 6.851 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.769 -0.836 8.566 1.00 0.00 H new ATOM 724 N LYS A 49 5.574 -0.881 10.146 1.00 0.00 N ATOM 725 CA LYS A 49 5.153 -0.767 11.557 1.00 0.00 C ATOM 726 C LYS A 49 3.643 -1.020 11.718 1.00 0.00 C ATOM 727 O LYS A 49 3.235 -1.835 12.549 1.00 0.00 O ATOM 728 CB LYS A 49 5.505 0.635 12.125 1.00 0.00 C ATOM 729 CG LYS A 49 7.010 0.923 12.227 1.00 0.00 C ATOM 730 CD LYS A 49 7.309 2.313 12.824 1.00 0.00 C ATOM 731 CE LYS A 49 8.813 2.589 12.946 1.00 0.00 C ATOM 732 NZ LYS A 49 9.081 3.939 13.497 1.00 0.00 N ATOM 0 H LYS A 49 5.868 0.007 9.739 1.00 0.00 H new ATOM 0 HA LYS A 49 5.694 -1.530 12.117 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.045 1.395 11.493 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.061 0.733 13.116 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.482 0.158 12.844 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.457 0.854 11.235 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.852 3.080 12.198 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.848 2.389 13.809 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.270 1.837 13.589 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.280 2.497 11.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.108 4.089 13.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.667 4.658 12.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.657 4.018 14.443 1.00 0.00 H new ATOM 746 N ALA A 50 2.838 -0.316 10.896 1.00 0.00 N ATOM 747 CA ALA A 50 1.360 -0.291 11.006 1.00 0.00 C ATOM 748 C ALA A 50 0.746 -1.694 10.873 1.00 0.00 C ATOM 749 O ALA A 50 -0.024 -2.135 11.733 1.00 0.00 O ATOM 750 CB ALA A 50 0.767 0.644 9.935 1.00 0.00 C ATOM 0 H ALA A 50 3.195 0.256 10.131 1.00 0.00 H new ATOM 0 HA ALA A 50 1.113 0.083 11.999 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.319 0.656 10.024 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.154 1.653 10.078 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.046 0.286 8.944 1.00 0.00 H new ATOM 756 N PHE A 51 1.133 -2.390 9.797 1.00 0.00 N ATOM 757 CA PHE A 51 0.607 -3.718 9.446 1.00 0.00 C ATOM 758 C PHE A 51 1.401 -4.839 10.139 1.00 0.00 C ATOM 759 O PHE A 51 1.024 -6.003 10.030 1.00 0.00 O ATOM 760 CB PHE A 51 0.614 -3.897 7.905 1.00 0.00 C ATOM 761 CG PHE A 51 -0.364 -2.972 7.174 1.00 0.00 C ATOM 762 CD1 PHE A 51 -0.044 -1.638 6.915 1.00 0.00 C ATOM 763 CD2 PHE A 51 -1.607 -3.440 6.751 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.934 -0.807 6.258 1.00 0.00 C ATOM 765 CE2 PHE A 51 -2.493 -2.610 6.096 1.00 0.00 C ATOM 766 CZ PHE A 51 -2.156 -1.297 5.848 1.00 0.00 C ATOM 0 H PHE A 51 1.829 -2.044 9.136 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.421 -3.787 9.802 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.622 -3.714 7.531 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.368 -4.932 7.667 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.912 -1.249 7.232 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.880 -4.468 6.939 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.672 0.223 6.067 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.452 -2.990 5.777 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.850 -0.651 5.332 1.00 0.00 H new ATOM 776 N GLY A 52 2.492 -4.478 10.851 1.00 0.00 N ATOM 777 CA GLY A 52 3.280 -5.441 11.639 1.00 0.00 C ATOM 778 C GLY A 52 4.023 -6.470 10.785 1.00 0.00 C ATOM 779 O GLY A 52 4.255 -7.603 11.216 1.00 0.00 O ATOM 0 H GLY A 52 2.845 -3.522 10.893 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.003 -4.896 12.246 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.616 -5.964 12.327 1.00 0.00 H new ATOM 783 N ILE A 53 4.407 -6.046 9.576 1.00 0.00 N ATOM 784 CA ILE A 53 5.018 -6.907 8.546 1.00 0.00 C ATOM 785 C ILE A 53 6.393 -6.366 8.167 1.00 0.00 C ATOM 786 O ILE A 53 6.756 -5.268 8.581 1.00 0.00 O ATOM 787 CB ILE A 53 4.124 -6.945 7.256 1.00 0.00 C ATOM 788 CG1 ILE A 53 3.931 -5.505 6.665 1.00 0.00 C ATOM 789 CG2 ILE A 53 2.764 -7.613 7.550 1.00 0.00 C ATOM 790 CD1 ILE A 53 3.254 -5.471 5.324 1.00 0.00 C ATOM 0 H ILE A 53 4.302 -5.077 9.276 1.00 0.00 H new ATOM 0 HA ILE A 53 5.109 -7.913 8.955 1.00 0.00 H new ATOM 0 HB ILE A 53 4.637 -7.547 6.506 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.347 -4.912 7.369 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.907 -5.027 6.578 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.162 -7.628 6.641 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.927 -8.634 7.894 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.241 -7.049 8.323 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.161 -4.438 4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.847 -6.034 4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.263 -5.917 5.406 1.00 0.00 H new ATOM 802 N LYS A 54 7.157 -7.146 7.383 1.00 0.00 N ATOM 803 CA LYS A 54 8.385 -6.651 6.736 1.00 0.00 C ATOM 804 C LYS A 54 8.093 -6.434 5.251 1.00 0.00 C ATOM 805 O LYS A 54 7.847 -7.408 4.530 1.00 0.00 O ATOM 806 CB LYS A 54 9.581 -7.642 6.865 1.00 0.00 C ATOM 807 CG LYS A 54 9.719 -8.374 8.211 1.00 0.00 C ATOM 808 CD LYS A 54 11.045 -9.171 8.314 1.00 0.00 C ATOM 809 CE LYS A 54 11.363 -10.023 7.067 1.00 0.00 C ATOM 810 NZ LYS A 54 10.264 -10.950 6.698 1.00 0.00 N ATOM 0 H LYS A 54 6.945 -8.123 7.182 1.00 0.00 H new ATOM 0 HA LYS A 54 8.671 -5.726 7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.492 -8.390 6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.503 -7.091 6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.670 -7.649 9.023 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.878 -9.055 8.340 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.865 -8.473 8.483 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.998 -9.824 9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.570 -9.361 6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.270 -10.599 7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.665 -11.862 6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.643 -11.096 7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.713 -10.542 5.916 1.00 0.00 H new ATOM 824 N LEU A 55 8.067 -5.170 4.799 1.00 0.00 N ATOM 825 CA LEU A 55 8.108 -4.870 3.367 1.00 0.00 C ATOM 826 C LEU A 55 9.542 -5.122 2.865 1.00 0.00 C ATOM 827 O LEU A 55 10.477 -4.487 3.365 1.00 0.00 O ATOM 828 CB LEU A 55 7.676 -3.405 3.058 1.00 0.00 C ATOM 829 CG LEU A 55 6.176 -3.058 3.323 1.00 0.00 C ATOM 830 CD1 LEU A 55 5.837 -1.633 2.835 1.00 0.00 C ATOM 831 CD2 LEU A 55 5.241 -4.096 2.675 1.00 0.00 C ATOM 0 H LEU A 55 8.018 -4.349 5.402 1.00 0.00 H new ATOM 0 HA LEU A 55 7.399 -5.518 2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.294 -2.733 3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.896 -3.196 2.011 1.00 0.00 H new ATOM 0 HG LEU A 55 6.017 -3.090 4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.786 -1.421 3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.459 -0.910 3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.026 -1.561 1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.204 -3.828 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.408 -4.114 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.448 -5.082 3.091 1.00 0.00 H new ATOM 843 N PRO A 56 9.756 -6.077 1.909 1.00 0.00 N ATOM 844 CA PRO A 56 11.050 -6.249 1.238 1.00 0.00 C ATOM 845 C PRO A 56 11.209 -5.185 0.136 1.00 0.00 C ATOM 846 O PRO A 56 11.404 -5.519 -1.021 1.00 0.00 O ATOM 847 CB PRO A 56 10.983 -7.708 0.666 1.00 0.00 C ATOM 848 CG PRO A 56 9.637 -8.255 1.072 1.00 0.00 C ATOM 849 CD PRO A 56 8.775 -7.063 1.410 1.00 0.00 C ATOM 0 HA PRO A 56 11.912 -6.121 1.892 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.092 -7.707 -0.419 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.790 -8.321 1.067 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.195 -8.837 0.263 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.731 -8.921 1.930 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.238 -6.692 0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.027 -7.306 2.165 1.00 0.00 H new ATOM 857 N LEU A 57 11.137 -3.897 0.537 1.00 0.00 N ATOM 858 CA LEU A 57 11.157 -2.741 -0.384 1.00 0.00 C ATOM 859 C LEU A 57 12.502 -2.718 -1.136 1.00 0.00 C ATOM 860 O LEU A 57 12.545 -2.405 -2.325 1.00 0.00 O ATOM 861 CB LEU A 57 10.903 -1.412 0.424 1.00 0.00 C ATOM 862 CG LEU A 57 10.332 -0.161 -0.344 1.00 0.00 C ATOM 863 CD1 LEU A 57 11.295 0.407 -1.401 1.00 0.00 C ATOM 864 CD2 LEU A 57 8.957 -0.471 -0.958 1.00 0.00 C ATOM 0 H LEU A 57 11.063 -3.629 1.518 1.00 0.00 H new ATOM 0 HA LEU A 57 10.361 -2.828 -1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.214 -1.645 1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.847 -1.117 0.882 1.00 0.00 H new ATOM 0 HG LEU A 57 10.214 0.623 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.834 1.266 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.222 0.717 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.512 -0.359 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.586 0.410 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.051 -1.299 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.258 -0.744 -0.167 1.00 0.00 H new ATOM 876 N GLU A 58 13.583 -3.088 -0.420 1.00 0.00 N ATOM 877 CA GLU A 58 14.935 -3.216 -0.998 1.00 0.00 C ATOM 878 C GLU A 58 14.978 -4.323 -2.076 1.00 0.00 C ATOM 879 O GLU A 58 15.525 -4.117 -3.166 1.00 0.00 O ATOM 880 CB GLU A 58 15.971 -3.505 0.123 1.00 0.00 C ATOM 881 CG GLU A 58 15.658 -4.745 0.990 1.00 0.00 C ATOM 882 CD GLU A 58 16.733 -5.046 2.038 1.00 0.00 C ATOM 883 OE1 GLU A 58 17.841 -5.471 1.653 1.00 0.00 O ATOM 884 OE2 GLU A 58 16.478 -4.869 3.248 1.00 0.00 O ATOM 0 H GLU A 58 13.543 -3.306 0.576 1.00 0.00 H new ATOM 0 HA GLU A 58 15.191 -2.272 -1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 58 16.952 -3.636 -0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.036 -2.632 0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.703 -4.594 1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.542 -5.613 0.340 1.00 0.00 H new ATOM 891 N LYS A 59 14.377 -5.482 -1.757 1.00 0.00 N ATOM 892 CA LYS A 59 14.291 -6.641 -2.666 1.00 0.00 C ATOM 893 C LYS A 59 13.498 -6.278 -3.921 1.00 0.00 C ATOM 894 O LYS A 59 13.891 -6.631 -5.027 1.00 0.00 O ATOM 895 CB LYS A 59 13.625 -7.828 -1.923 1.00 0.00 C ATOM 896 CG LYS A 59 13.400 -9.109 -2.765 1.00 0.00 C ATOM 897 CD LYS A 59 12.817 -10.279 -1.927 1.00 0.00 C ATOM 898 CE LYS A 59 13.743 -10.698 -0.766 1.00 0.00 C ATOM 899 NZ LYS A 59 13.233 -11.874 -0.017 1.00 0.00 N ATOM 0 H LYS A 59 13.933 -5.643 -0.853 1.00 0.00 H new ATOM 0 HA LYS A 59 15.295 -6.932 -2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.242 -8.085 -1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.661 -7.496 -1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.722 -8.884 -3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.347 -9.420 -3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.847 -9.985 -1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.646 -11.137 -2.578 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.733 -10.927 -1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.860 -9.859 -0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.894 -12.110 0.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.301 -11.651 0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.146 -12.685 -0.662 1.00 0.00 H new ATOM 913 N TRP A 60 12.412 -5.519 -3.711 1.00 0.00 N ATOM 914 CA TRP A 60 11.529 -5.035 -4.776 1.00 0.00 C ATOM 915 C TRP A 60 12.300 -4.094 -5.703 1.00 0.00 C ATOM 916 O TRP A 60 12.248 -4.245 -6.916 1.00 0.00 O ATOM 917 CB TRP A 60 10.294 -4.317 -4.172 1.00 0.00 C ATOM 918 CG TRP A 60 9.354 -5.221 -3.406 1.00 0.00 C ATOM 919 CD1 TRP A 60 9.333 -6.588 -3.397 1.00 0.00 C ATOM 920 CD2 TRP A 60 8.282 -4.808 -2.553 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.323 -7.038 -2.593 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.665 -5.970 -2.061 1.00 0.00 C ATOM 923 CE3 TRP A 60 7.791 -3.569 -2.154 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.584 -5.928 -1.196 1.00 0.00 C ATOM 925 CZ3 TRP A 60 6.719 -3.527 -1.288 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.121 -4.701 -0.821 1.00 0.00 C ATOM 0 H TRP A 60 12.120 -5.221 -2.780 1.00 0.00 H new ATOM 0 HA TRP A 60 11.176 -5.887 -5.357 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.639 -3.526 -3.507 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.739 -3.836 -4.978 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.015 -7.221 -3.945 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.098 -8.018 -2.419 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.241 -2.657 -2.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.124 -6.835 -0.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.335 -2.571 -0.965 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.277 -4.635 -0.151 1.00 0.00 H new ATOM 937 N THR A 61 13.061 -3.166 -5.090 1.00 0.00 N ATOM 938 CA THR A 61 13.902 -2.199 -5.818 1.00 0.00 C ATOM 939 C THR A 61 14.988 -2.924 -6.644 1.00 0.00 C ATOM 940 O THR A 61 15.299 -2.502 -7.755 1.00 0.00 O ATOM 941 CB THR A 61 14.559 -1.163 -4.835 1.00 0.00 C ATOM 942 OG1 THR A 61 13.541 -0.489 -4.078 1.00 0.00 O ATOM 943 CG2 THR A 61 15.416 -0.110 -5.568 1.00 0.00 C ATOM 0 H THR A 61 13.109 -3.067 -4.076 1.00 0.00 H new ATOM 0 HA THR A 61 13.256 -1.652 -6.504 1.00 0.00 H new ATOM 0 HB THR A 61 15.216 -1.730 -4.175 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.155 -1.109 -3.425 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.845 0.580 -4.841 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.218 -0.609 -6.113 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.791 0.444 -6.269 1.00 0.00 H new ATOM 951 N GLN A 62 15.498 -4.060 -6.127 1.00 0.00 N ATOM 952 CA GLN A 62 16.530 -4.860 -6.812 1.00 0.00 C ATOM 953 C GLN A 62 15.927 -5.593 -8.028 1.00 0.00 C ATOM 954 O GLN A 62 16.533 -5.608 -9.098 1.00 0.00 O ATOM 955 CB GLN A 62 17.195 -5.874 -5.827 1.00 0.00 C ATOM 956 CG GLN A 62 18.133 -6.926 -6.478 1.00 0.00 C ATOM 957 CD GLN A 62 19.376 -6.374 -7.218 1.00 0.00 C ATOM 958 OE1 GLN A 62 19.403 -5.246 -7.720 1.00 0.00 O ATOM 959 NE2 GLN A 62 20.403 -7.195 -7.324 1.00 0.00 N ATOM 0 H GLN A 62 15.208 -4.446 -5.229 1.00 0.00 H new ATOM 0 HA GLN A 62 17.305 -4.182 -7.169 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.766 -5.313 -5.087 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.407 -6.400 -5.289 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.474 -7.608 -5.699 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.548 -7.515 -7.184 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.360 -8.123 -6.902 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.240 -6.902 -7.828 1.00 0.00 H new ATOM 968 N GLU A 63 14.738 -6.198 -7.842 1.00 0.00 N ATOM 969 CA GLU A 63 13.995 -6.884 -8.923 1.00 0.00 C ATOM 970 C GLU A 63 13.653 -5.905 -10.057 1.00 0.00 C ATOM 971 O GLU A 63 13.719 -6.254 -11.233 1.00 0.00 O ATOM 972 CB GLU A 63 12.713 -7.542 -8.358 1.00 0.00 C ATOM 973 CG GLU A 63 12.982 -8.647 -7.315 1.00 0.00 C ATOM 974 CD GLU A 63 11.700 -9.212 -6.687 1.00 0.00 C ATOM 975 OE1 GLU A 63 11.218 -8.672 -5.663 1.00 0.00 O ATOM 976 OE2 GLU A 63 11.151 -10.191 -7.232 1.00 0.00 O ATOM 0 H GLU A 63 14.264 -6.226 -6.939 1.00 0.00 H new ATOM 0 HA GLU A 63 14.631 -7.666 -9.337 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.091 -6.771 -7.903 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.141 -7.967 -9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.534 -9.458 -7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.619 -8.246 -6.526 1.00 0.00 H new ATOM 983 N VAL A 64 13.346 -4.664 -9.678 1.00 0.00 N ATOM 984 CA VAL A 64 13.078 -3.583 -10.630 1.00 0.00 C ATOM 985 C VAL A 64 14.363 -3.210 -11.418 1.00 0.00 C ATOM 986 O VAL A 64 14.339 -3.151 -12.656 1.00 0.00 O ATOM 987 CB VAL A 64 12.470 -2.335 -9.893 1.00 0.00 C ATOM 988 CG1 VAL A 64 12.367 -1.122 -10.838 1.00 0.00 C ATOM 989 CG2 VAL A 64 11.078 -2.671 -9.288 1.00 0.00 C ATOM 0 H VAL A 64 13.276 -4.379 -8.701 1.00 0.00 H new ATOM 0 HA VAL A 64 12.341 -3.933 -11.352 1.00 0.00 H new ATOM 0 HB VAL A 64 13.146 -2.073 -9.079 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.943 -0.275 -10.298 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.360 -0.859 -11.202 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.725 -1.372 -11.683 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.679 -1.791 -8.783 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.398 -2.972 -10.085 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.180 -3.485 -8.571 1.00 0.00 H new ATOM 999 N ASN A 65 15.475 -2.984 -10.687 1.00 0.00 N ATOM 1000 CA ASN A 65 16.792 -2.625 -11.277 1.00 0.00 C ATOM 1001 C ASN A 65 17.304 -3.705 -12.251 1.00 0.00 C ATOM 1002 O ASN A 65 17.768 -3.390 -13.345 1.00 0.00 O ATOM 1003 CB ASN A 65 17.867 -2.391 -10.169 1.00 0.00 C ATOM 1004 CG ASN A 65 17.587 -1.190 -9.263 1.00 0.00 C ATOM 1005 OD1 ASN A 65 16.968 -0.215 -9.676 1.00 0.00 O ATOM 1006 ND2 ASN A 65 18.051 -1.250 -8.024 1.00 0.00 N ATOM 0 H ASN A 65 15.490 -3.044 -9.669 1.00 0.00 H new ATOM 0 HA ASN A 65 16.634 -1.700 -11.831 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.938 -3.287 -9.553 1.00 0.00 H new ATOM 0 HB3 ASN A 65 18.838 -2.254 -10.645 1.00 0.00 H new ATOM 0 HD21 ASN A 65 17.897 -0.471 -7.384 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.562 -2.075 -7.710 1.00 0.00 H new ATOM 1013 N ASP A 66 17.197 -4.980 -11.841 1.00 0.00 N ATOM 1014 CA ASP A 66 17.739 -6.140 -12.590 1.00 0.00 C ATOM 1015 C ASP A 66 16.729 -6.654 -13.656 1.00 0.00 C ATOM 1016 O ASP A 66 16.964 -7.679 -14.309 1.00 0.00 O ATOM 1017 CB ASP A 66 18.110 -7.258 -11.565 1.00 0.00 C ATOM 1018 CG ASP A 66 18.971 -8.395 -12.153 1.00 0.00 C ATOM 1019 OD1 ASP A 66 20.178 -8.170 -12.382 1.00 0.00 O ATOM 1020 OD2 ASP A 66 18.455 -9.512 -12.395 1.00 0.00 O ATOM 0 H ASP A 66 16.729 -5.243 -10.974 1.00 0.00 H new ATOM 0 HA ASP A 66 18.632 -5.836 -13.137 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.646 -6.806 -10.730 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.192 -7.684 -11.161 1.00 0.00 H new ATOM 1025 N GLY A 67 15.611 -5.912 -13.838 1.00 0.00 N ATOM 1026 CA GLY A 67 14.586 -6.243 -14.839 1.00 0.00 C ATOM 1027 C GLY A 67 13.866 -7.568 -14.603 1.00 0.00 C ATOM 1028 O GLY A 67 13.331 -8.163 -15.541 1.00 0.00 O ATOM 0 H GLY A 67 15.401 -5.074 -13.296 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.847 -5.442 -14.860 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.054 -6.270 -15.823 1.00 0.00 H new ATOM 1032 N LYS A 68 13.871 -8.027 -13.348 1.00 0.00 N ATOM 1033 CA LYS A 68 13.127 -9.225 -12.920 1.00 0.00 C ATOM 1034 C LYS A 68 11.630 -8.889 -12.809 1.00 0.00 C ATOM 1035 O LYS A 68 10.770 -9.743 -13.033 1.00 0.00 O ATOM 1036 CB LYS A 68 13.673 -9.733 -11.554 1.00 0.00 C ATOM 1037 CG LYS A 68 15.178 -10.119 -11.515 1.00 0.00 C ATOM 1038 CD LYS A 68 15.519 -11.510 -12.127 1.00 0.00 C ATOM 1039 CE LYS A 68 15.554 -11.536 -13.667 1.00 0.00 C ATOM 1040 NZ LYS A 68 16.569 -10.600 -14.225 1.00 0.00 N ATOM 0 H LYS A 68 14.392 -7.579 -12.594 1.00 0.00 H new ATOM 0 HA LYS A 68 13.259 -10.015 -13.659 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.499 -8.959 -10.807 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.089 -10.603 -11.254 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.747 -9.356 -12.047 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.515 -10.103 -10.478 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.489 -11.832 -11.748 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.784 -12.236 -11.780 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.772 -12.549 -14.006 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.570 -11.274 -14.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.058 -11.054 -15.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.098 -9.734 -14.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.261 -10.358 -13.487 1.00 0.00 H new ATOM 1054 N ALA A 69 11.353 -7.615 -12.472 1.00 0.00 N ATOM 1055 CA ALA A 69 10.001 -7.076 -12.300 1.00 0.00 C ATOM 1056 C ALA A 69 9.980 -5.610 -12.736 1.00 0.00 C ATOM 1057 O ALA A 69 11.035 -4.974 -12.826 1.00 0.00 O ATOM 1058 CB ALA A 69 9.575 -7.221 -10.836 1.00 0.00 C ATOM 0 H ALA A 69 12.083 -6.921 -12.309 1.00 0.00 H new ATOM 0 HA ALA A 69 9.296 -7.631 -12.919 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.569 -6.820 -10.708 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.584 -8.275 -10.557 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.268 -6.672 -10.199 1.00 0.00 H new ATOM 1064 N THR A 70 8.782 -5.089 -13.026 1.00 0.00 N ATOM 1065 CA THR A 70 8.590 -3.681 -13.423 1.00 0.00 C ATOM 1066 C THR A 70 8.498 -2.783 -12.175 1.00 0.00 C ATOM 1067 O THR A 70 8.262 -3.287 -11.061 1.00 0.00 O ATOM 1068 CB THR A 70 7.303 -3.521 -14.300 1.00 0.00 C ATOM 1069 OG1 THR A 70 6.137 -3.894 -13.541 1.00 0.00 O ATOM 1070 CG2 THR A 70 7.385 -4.382 -15.581 1.00 0.00 C ATOM 0 H THR A 70 7.916 -5.628 -12.993 1.00 0.00 H new ATOM 0 HA THR A 70 9.450 -3.373 -14.017 1.00 0.00 H new ATOM 0 HB THR A 70 7.228 -2.474 -14.594 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.337 -3.789 -14.097 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.476 -4.248 -16.168 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.247 -4.074 -16.172 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.489 -5.432 -15.308 1.00 0.00 H new ATOM 1078 N THR A 71 8.681 -1.462 -12.372 1.00 0.00 N ATOM 1079 CA THR A 71 8.570 -0.462 -11.296 1.00 0.00 C ATOM 1080 C THR A 71 7.169 -0.526 -10.666 1.00 0.00 C ATOM 1081 O THR A 71 7.012 -0.757 -9.465 1.00 0.00 O ATOM 1082 CB THR A 71 8.827 0.990 -11.841 1.00 0.00 C ATOM 1083 OG1 THR A 71 7.852 1.317 -12.848 1.00 0.00 O ATOM 1084 CG2 THR A 71 10.229 1.166 -12.443 1.00 0.00 C ATOM 0 H THR A 71 8.910 -1.061 -13.281 1.00 0.00 H new ATOM 0 HA THR A 71 9.326 -0.691 -10.545 1.00 0.00 H new ATOM 0 HB THR A 71 8.744 1.659 -10.984 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.018 2.224 -13.181 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.345 2.189 -12.802 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.981 0.961 -11.681 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.357 0.473 -13.275 1.00 0.00 H new ATOM 1092 N GLU A 72 6.164 -0.381 -11.540 1.00 0.00 N ATOM 1093 CA GLU A 72 4.743 -0.354 -11.185 1.00 0.00 C ATOM 1094 C GLU A 72 4.289 -1.595 -10.395 1.00 0.00 C ATOM 1095 O GLU A 72 3.455 -1.468 -9.497 1.00 0.00 O ATOM 1096 CB GLU A 72 3.890 -0.164 -12.472 1.00 0.00 C ATOM 1097 CG GLU A 72 4.101 -1.231 -13.555 1.00 0.00 C ATOM 1098 CD GLU A 72 3.240 -0.995 -14.805 1.00 0.00 C ATOM 1099 OE1 GLU A 72 2.056 -1.400 -14.810 1.00 0.00 O ATOM 1100 OE2 GLU A 72 3.738 -0.397 -15.783 1.00 0.00 O ATOM 0 H GLU A 72 6.324 -0.276 -12.542 1.00 0.00 H new ATOM 0 HA GLU A 72 4.590 0.492 -10.515 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.836 -0.155 -12.193 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.116 0.814 -12.898 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.152 -1.246 -13.842 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.869 -2.212 -13.141 1.00 0.00 H new ATOM 1107 N GLN A 73 4.893 -2.767 -10.704 1.00 0.00 N ATOM 1108 CA GLN A 73 4.517 -4.070 -10.087 1.00 0.00 C ATOM 1109 C GLN A 73 4.589 -4.037 -8.543 1.00 0.00 C ATOM 1110 O GLN A 73 3.898 -4.800 -7.866 1.00 0.00 O ATOM 1111 CB GLN A 73 5.411 -5.226 -10.626 1.00 0.00 C ATOM 1112 CG GLN A 73 4.866 -6.648 -10.337 1.00 0.00 C ATOM 1113 CD GLN A 73 5.793 -7.766 -10.815 1.00 0.00 C ATOM 1114 OE1 GLN A 73 5.743 -8.170 -11.976 1.00 0.00 O ATOM 1115 NE2 GLN A 73 6.620 -8.292 -9.920 1.00 0.00 N ATOM 0 H GLN A 73 5.650 -2.840 -11.383 1.00 0.00 H new ATOM 0 HA GLN A 73 3.480 -4.253 -10.370 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.527 -5.107 -11.703 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.404 -5.135 -10.187 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.704 -6.755 -9.264 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.895 -6.761 -10.819 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.635 -7.932 -8.966 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.241 -9.056 -10.186 1.00 0.00 H new ATOM 1124 N TYR A 74 5.444 -3.161 -7.993 1.00 0.00 N ATOM 1125 CA TYR A 74 5.592 -2.994 -6.534 1.00 0.00 C ATOM 1126 C TYR A 74 5.256 -1.569 -6.078 1.00 0.00 C ATOM 1127 O TYR A 74 4.806 -1.372 -4.945 1.00 0.00 O ATOM 1128 CB TYR A 74 7.039 -3.353 -6.116 1.00 0.00 C ATOM 1129 CG TYR A 74 7.436 -4.798 -6.459 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.693 -5.871 -5.966 1.00 0.00 C ATOM 1131 CD2 TYR A 74 8.537 -5.089 -7.269 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.030 -7.173 -6.266 1.00 0.00 C ATOM 1133 CE2 TYR A 74 8.874 -6.391 -7.568 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.120 -7.428 -7.067 1.00 0.00 C ATOM 1135 OH TYR A 74 8.443 -8.728 -7.377 1.00 0.00 O ATOM 0 H TYR A 74 6.050 -2.551 -8.541 1.00 0.00 H new ATOM 0 HA TYR A 74 4.884 -3.666 -6.049 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.731 -2.668 -6.607 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.147 -3.200 -5.042 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.837 -5.677 -5.337 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.133 -4.281 -7.667 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.442 -7.990 -5.874 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.729 -6.598 -8.195 1.00 0.00 H new ATOM 0 HH TYR A 74 9.237 -8.740 -7.951 1.00 0.00 H new ATOM 1145 N PHE A 75 5.462 -0.571 -6.961 1.00 0.00 N ATOM 1146 CA PHE A 75 5.398 0.864 -6.588 1.00 0.00 C ATOM 1147 C PHE A 75 4.089 1.536 -7.082 1.00 0.00 C ATOM 1148 O PHE A 75 4.009 2.761 -7.119 1.00 0.00 O ATOM 1149 CB PHE A 75 6.654 1.600 -7.144 1.00 0.00 C ATOM 1150 CG PHE A 75 7.991 1.124 -6.555 1.00 0.00 C ATOM 1151 CD1 PHE A 75 8.312 1.399 -5.231 1.00 0.00 C ATOM 1152 CD2 PHE A 75 8.922 0.414 -7.316 1.00 0.00 C ATOM 1153 CE1 PHE A 75 9.511 0.981 -4.684 1.00 0.00 C ATOM 1154 CE2 PHE A 75 10.124 -0.005 -6.767 1.00 0.00 C ATOM 1155 CZ PHE A 75 10.418 0.279 -5.451 1.00 0.00 C ATOM 0 H PHE A 75 5.676 -0.731 -7.945 1.00 0.00 H new ATOM 0 HA PHE A 75 5.391 0.936 -5.500 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.683 1.473 -8.226 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.547 2.668 -6.952 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.613 1.949 -4.619 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.702 0.188 -8.349 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.739 1.205 -3.652 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.831 -0.555 -7.371 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.354 -0.046 -5.022 1.00 0.00 H new ATOM 1165 N VAL A 76 3.070 0.725 -7.438 1.00 0.00 N ATOM 1166 CA VAL A 76 1.678 1.206 -7.680 1.00 0.00 C ATOM 1167 C VAL A 76 0.799 0.747 -6.512 1.00 0.00 C ATOM 1168 O VAL A 76 0.955 -0.363 -6.046 1.00 0.00 O ATOM 1169 CB VAL A 76 1.081 0.700 -9.056 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.459 0.835 -9.134 1.00 0.00 C ATOM 1171 CG2 VAL A 76 1.718 1.447 -10.243 1.00 0.00 C ATOM 0 H VAL A 76 3.181 -0.281 -7.567 1.00 0.00 H new ATOM 0 HA VAL A 76 1.699 2.294 -7.744 1.00 0.00 H new ATOM 0 HB VAL A 76 1.324 -0.361 -9.113 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.808 0.472 -10.101 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.917 0.246 -8.339 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.739 1.882 -9.017 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.290 1.080 -11.176 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.521 2.515 -10.149 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.794 1.275 -10.245 1.00 0.00 H new ATOM 1181 N LEU A 77 -0.145 1.605 -6.110 1.00 0.00 N ATOM 1182 CA LEU A 77 -0.967 1.451 -4.892 1.00 0.00 C ATOM 1183 C LEU A 77 -1.768 0.132 -4.822 1.00 0.00 C ATOM 1184 O LEU A 77 -1.827 -0.472 -3.754 1.00 0.00 O ATOM 1185 CB LEU A 77 -1.910 2.681 -4.739 1.00 0.00 C ATOM 1186 CG LEU A 77 -1.323 3.888 -3.959 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -1.076 3.523 -2.483 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -0.058 4.465 -4.634 1.00 0.00 C ATOM 0 H LEU A 77 -0.369 2.451 -6.634 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.270 1.402 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.198 3.021 -5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.821 2.356 -4.237 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.068 4.683 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.665 4.386 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.018 3.231 -2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.371 2.694 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.314 5.307 -4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.710 3.693 -4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.305 4.802 -5.641 1.00 0.00 H new ATOM 1200 N LYS A 78 -2.371 -0.303 -5.945 1.00 0.00 N ATOM 1201 CA LYS A 78 -3.170 -1.566 -5.989 1.00 0.00 C ATOM 1202 C LYS A 78 -2.251 -2.794 -5.746 1.00 0.00 C ATOM 1203 O LYS A 78 -2.597 -3.719 -5.004 1.00 0.00 O ATOM 1204 CB LYS A 78 -3.923 -1.700 -7.360 1.00 0.00 C ATOM 1205 CG LYS A 78 -2.985 -1.721 -8.591 1.00 0.00 C ATOM 1206 CD LYS A 78 -3.701 -1.852 -9.950 1.00 0.00 C ATOM 1207 CE LYS A 78 -2.700 -1.892 -11.128 1.00 0.00 C ATOM 1208 NZ LYS A 78 -3.386 -2.103 -12.426 1.00 0.00 N ATOM 0 H LYS A 78 -2.327 0.192 -6.836 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.916 -1.530 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.515 -2.615 -7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.622 -0.870 -7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.394 -0.805 -8.595 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.286 -2.551 -8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.305 -2.759 -9.956 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.384 -1.013 -10.083 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.139 -0.958 -11.161 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.978 -2.692 -10.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.682 -2.124 -13.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.900 -3.007 -12.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.057 -1.327 -12.594 1.00 0.00 H new ATOM 1222 N ASN A 79 -1.059 -2.742 -6.352 1.00 0.00 N ATOM 1223 CA ASN A 79 -0.061 -3.829 -6.339 1.00 0.00 C ATOM 1224 C ASN A 79 0.640 -3.896 -4.982 1.00 0.00 C ATOM 1225 O ASN A 79 0.824 -4.971 -4.418 1.00 0.00 O ATOM 1226 CB ASN A 79 0.974 -3.583 -7.465 1.00 0.00 C ATOM 1227 CG ASN A 79 0.358 -3.594 -8.866 1.00 0.00 C ATOM 1228 OD1 ASN A 79 -0.587 -4.331 -9.137 1.00 0.00 O ATOM 1229 ND2 ASN A 79 0.874 -2.766 -9.760 1.00 0.00 N ATOM 0 H ASN A 79 -0.750 -1.925 -6.879 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.564 -4.781 -6.509 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.462 -2.623 -7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.749 -4.348 -7.410 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.487 -2.728 -10.703 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.659 -2.166 -9.506 1.00 0.00 H new ATOM 1236 N LEU A 80 1.010 -2.711 -4.492 1.00 0.00 N ATOM 1237 CA LEU A 80 1.638 -2.495 -3.183 1.00 0.00 C ATOM 1238 C LEU A 80 0.733 -3.041 -2.071 1.00 0.00 C ATOM 1239 O LEU A 80 1.163 -3.856 -1.270 1.00 0.00 O ATOM 1240 CB LEU A 80 1.901 -0.975 -2.976 1.00 0.00 C ATOM 1241 CG LEU A 80 2.543 -0.545 -1.617 1.00 0.00 C ATOM 1242 CD1 LEU A 80 3.963 -1.133 -1.435 1.00 0.00 C ATOM 1243 CD2 LEU A 80 2.533 0.994 -1.460 1.00 0.00 C ATOM 0 H LEU A 80 0.877 -1.844 -5.012 1.00 0.00 H new ATOM 0 HA LEU A 80 2.589 -3.026 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.550 -0.631 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.952 -0.449 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 80 1.929 -0.962 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.371 -0.809 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.912 -2.222 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.608 -0.783 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.985 1.265 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.101 1.446 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.505 1.356 -1.490 1.00 0.00 H new ATOM 1255 N ALA A 81 -0.548 -2.627 -2.102 1.00 0.00 N ATOM 1256 CA ALA A 81 -1.567 -3.032 -1.108 1.00 0.00 C ATOM 1257 C ALA A 81 -1.800 -4.553 -1.121 1.00 0.00 C ATOM 1258 O ALA A 81 -2.075 -5.160 -0.081 1.00 0.00 O ATOM 1259 CB ALA A 81 -2.879 -2.288 -1.372 1.00 0.00 C ATOM 0 H ALA A 81 -0.909 -1.999 -2.820 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.196 -2.766 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.624 -2.592 -0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.710 -1.214 -1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.238 -2.528 -2.373 1.00 0.00 H new ATOM 1265 N ALA A 82 -1.678 -5.151 -2.314 1.00 0.00 N ATOM 1266 CA ALA A 82 -1.775 -6.606 -2.493 1.00 0.00 C ATOM 1267 C ALA A 82 -0.600 -7.320 -1.785 1.00 0.00 C ATOM 1268 O ALA A 82 -0.815 -8.236 -0.987 1.00 0.00 O ATOM 1269 CB ALA A 82 -1.810 -6.944 -3.989 1.00 0.00 C ATOM 0 H ALA A 82 -1.510 -4.641 -3.181 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.700 -6.961 -2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.882 -8.024 -4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.674 -6.466 -4.450 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.899 -6.582 -4.465 1.00 0.00 H new ATOM 1275 N ARG A 83 0.629 -6.839 -2.063 1.00 0.00 N ATOM 1276 CA ARG A 83 1.890 -7.344 -1.458 1.00 0.00 C ATOM 1277 C ARG A 83 1.838 -7.306 0.083 1.00 0.00 C ATOM 1278 O ARG A 83 2.173 -8.285 0.752 1.00 0.00 O ATOM 1279 CB ARG A 83 3.082 -6.477 -1.944 1.00 0.00 C ATOM 1280 CG ARG A 83 3.379 -6.537 -3.464 1.00 0.00 C ATOM 1281 CD ARG A 83 4.318 -7.691 -3.861 1.00 0.00 C ATOM 1282 NE ARG A 83 3.773 -9.037 -3.612 1.00 0.00 N ATOM 1283 CZ ARG A 83 4.507 -10.161 -3.600 1.00 0.00 C ATOM 1284 NH1 ARG A 83 5.823 -10.124 -3.769 1.00 0.00 N ATOM 1285 NH2 ARG A 83 3.920 -11.327 -3.427 1.00 0.00 N ATOM 0 H ARG A 83 0.781 -6.077 -2.724 1.00 0.00 H new ATOM 0 HA ARG A 83 2.018 -8.380 -1.771 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.889 -5.440 -1.671 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.977 -6.787 -1.405 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.439 -6.641 -4.006 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.824 -5.593 -3.777 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.557 -7.600 -4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.254 -7.585 -3.313 1.00 0.00 H new ATOM 0 HE ARG A 83 2.772 -9.120 -3.437 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.294 -9.230 -3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.363 -10.989 -3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.909 -11.375 -3.302 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.477 -12.182 -3.418 1.00 0.00 H new ATOM 1299 N ILE A 84 1.379 -6.161 0.601 1.00 0.00 N ATOM 1300 CA ILE A 84 1.255 -5.880 2.044 1.00 0.00 C ATOM 1301 C ILE A 84 0.306 -6.887 2.707 1.00 0.00 C ATOM 1302 O ILE A 84 0.644 -7.497 3.725 1.00 0.00 O ATOM 1303 CB ILE A 84 0.722 -4.410 2.255 1.00 0.00 C ATOM 1304 CG1 ILE A 84 1.750 -3.374 1.705 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.367 -4.114 3.735 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.223 -1.963 1.573 1.00 0.00 C ATOM 0 H ILE A 84 1.075 -5.382 0.017 1.00 0.00 H new ATOM 0 HA ILE A 84 2.237 -5.976 2.508 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.205 -4.318 1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.619 -3.362 2.363 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.095 -3.710 0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.005 -3.090 3.825 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.409 -4.803 4.068 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.255 -4.241 4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.009 -1.316 1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.374 -1.954 0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.906 -1.600 2.551 1.00 0.00 H new ATOM 1318 N ASP A 85 -0.867 -7.071 2.082 1.00 0.00 N ATOM 1319 CA ASP A 85 -1.917 -7.974 2.586 1.00 0.00 C ATOM 1320 C ASP A 85 -1.469 -9.460 2.549 1.00 0.00 C ATOM 1321 O ASP A 85 -1.890 -10.257 3.394 1.00 0.00 O ATOM 1322 CB ASP A 85 -3.217 -7.770 1.779 1.00 0.00 C ATOM 1323 CG ASP A 85 -4.375 -8.648 2.285 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -4.938 -8.337 3.354 1.00 0.00 O ATOM 1325 OD2 ASP A 85 -4.719 -9.658 1.623 1.00 0.00 O ATOM 0 H ASP A 85 -1.116 -6.599 1.213 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.104 -7.724 3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.512 -6.722 1.832 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.027 -7.996 0.730 1.00 0.00 H new ATOM 1330 N GLU A 86 -0.614 -9.811 1.567 1.00 0.00 N ATOM 1331 CA GLU A 86 0.013 -11.151 1.480 1.00 0.00 C ATOM 1332 C GLU A 86 0.949 -11.382 2.681 1.00 0.00 C ATOM 1333 O GLU A 86 0.967 -12.464 3.266 1.00 0.00 O ATOM 1334 CB GLU A 86 0.798 -11.303 0.150 1.00 0.00 C ATOM 1335 CG GLU A 86 -0.075 -11.313 -1.115 1.00 0.00 C ATOM 1336 CD GLU A 86 0.754 -11.389 -2.405 1.00 0.00 C ATOM 1337 OE1 GLU A 86 1.221 -12.491 -2.758 1.00 0.00 O ATOM 1338 OE2 GLU A 86 0.969 -10.342 -3.066 1.00 0.00 O ATOM 0 H GLU A 86 -0.338 -9.180 0.815 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.777 -11.902 1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.516 -10.487 0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.371 -12.229 0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.756 -12.163 -1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.689 -10.413 -1.135 1.00 0.00 H new ATOM 1345 N LEU A 87 1.713 -10.343 3.036 1.00 0.00 N ATOM 1346 CA LEU A 87 2.622 -10.362 4.198 1.00 0.00 C ATOM 1347 C LEU A 87 1.828 -10.369 5.531 1.00 0.00 C ATOM 1348 O LEU A 87 2.313 -10.881 6.548 1.00 0.00 O ATOM 1349 CB LEU A 87 3.592 -9.158 4.115 1.00 0.00 C ATOM 1350 CG LEU A 87 4.469 -9.087 2.817 1.00 0.00 C ATOM 1351 CD1 LEU A 87 5.187 -7.731 2.692 1.00 0.00 C ATOM 1352 CD2 LEU A 87 5.469 -10.263 2.737 1.00 0.00 C ATOM 0 H LEU A 87 1.722 -9.460 2.526 1.00 0.00 H new ATOM 0 HA LEU A 87 3.208 -11.281 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.010 -8.239 4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.255 -9.187 4.980 1.00 0.00 H new ATOM 0 HG LEU A 87 3.792 -9.178 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.785 -7.719 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.448 -6.930 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.837 -7.582 3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.058 -10.178 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.133 -10.235 3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.922 -11.206 2.730 1.00 0.00 H new ATOM 1364 N VAL A 88 0.604 -9.792 5.510 1.00 0.00 N ATOM 1365 CA VAL A 88 -0.353 -9.856 6.640 1.00 0.00 C ATOM 1366 C VAL A 88 -0.928 -11.289 6.775 1.00 0.00 C ATOM 1367 O VAL A 88 -1.123 -11.805 7.893 1.00 0.00 O ATOM 1368 CB VAL A 88 -1.499 -8.779 6.474 1.00 0.00 C ATOM 1369 CG1 VAL A 88 -2.633 -8.963 7.515 1.00 0.00 C ATOM 1370 CG2 VAL A 88 -0.916 -7.336 6.545 1.00 0.00 C ATOM 0 H VAL A 88 0.252 -9.269 4.709 1.00 0.00 H new ATOM 0 HA VAL A 88 0.179 -9.619 7.562 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.939 -8.931 5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.396 -8.200 7.360 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.078 -9.951 7.397 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.223 -8.868 8.520 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.722 -6.612 6.428 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.431 -7.187 7.510 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.187 -7.199 5.747 1.00 0.00 H new ATOM 1380 N ALA A 89 -1.144 -11.944 5.628 1.00 0.00 N ATOM 1381 CA ALA A 89 -1.550 -13.359 5.586 1.00 0.00 C ATOM 1382 C ALA A 89 -0.418 -14.249 6.136 1.00 0.00 C ATOM 1383 O ALA A 89 -0.667 -15.246 6.827 1.00 0.00 O ATOM 1384 CB ALA A 89 -1.931 -13.766 4.158 1.00 0.00 C ATOM 0 H ALA A 89 -1.044 -11.515 4.708 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.429 -13.495 6.216 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.228 -14.815 4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.761 -13.149 3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.075 -13.624 3.498 1.00 0.00 H new ATOM 1390 N ALA A 90 0.833 -13.847 5.828 1.00 0.00 N ATOM 1391 CA ALA A 90 2.046 -14.514 6.318 1.00 0.00 C ATOM 1392 C ALA A 90 2.225 -14.328 7.838 1.00 0.00 C ATOM 1393 O ALA A 90 2.585 -15.278 8.529 1.00 0.00 O ATOM 1394 CB ALA A 90 3.286 -14.001 5.556 1.00 0.00 C ATOM 0 H ALA A 90 1.025 -13.045 5.228 1.00 0.00 H new ATOM 0 HA ALA A 90 1.936 -15.582 6.131 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.177 -14.505 5.930 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.171 -14.209 4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.387 -12.926 5.706 1.00 0.00 H new ATOM 1400 N LYS A 91 1.932 -13.117 8.371 1.00 0.00 N ATOM 1401 CA LYS A 91 2.154 -12.807 9.808 1.00 0.00 C ATOM 1402 C LYS A 91 1.112 -13.506 10.699 1.00 0.00 C ATOM 1403 O LYS A 91 1.337 -13.677 11.906 1.00 0.00 O ATOM 1404 CB LYS A 91 2.154 -11.270 10.069 1.00 0.00 C ATOM 1405 CG LYS A 91 0.764 -10.610 10.071 1.00 0.00 C ATOM 1406 CD LYS A 91 0.794 -9.106 10.407 1.00 0.00 C ATOM 1407 CE LYS A 91 1.301 -8.801 11.829 1.00 0.00 C ATOM 1408 NZ LYS A 91 0.478 -9.455 12.880 1.00 0.00 N ATOM 0 H LYS A 91 1.544 -12.342 7.833 1.00 0.00 H new ATOM 0 HA LYS A 91 3.139 -13.192 10.070 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.631 -11.080 11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.767 -10.788 9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.306 -10.746 9.091 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.129 -11.122 10.794 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.431 -8.594 9.686 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.210 -8.697 10.293 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.335 -9.134 11.922 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.298 -7.723 11.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.797 -9.138 13.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.521 -9.198 12.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.582 -10.487 12.810 1.00 0.00 H new