USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 603 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 MET CE :methyl 162:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= 1.24 (180deg=1.08) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.697 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 85:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -56:sc= 1.39 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 32:sc= 0.501 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= 2.41 (180deg=2.27) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -155:sc= -0.0361 (180deg=-0.951) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc=-0.00557 X(o=-0.0056,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.0156 K(o=-0.016,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -12.713 -17.551 11.247 1.00 45.52 N ATOM 2 CA GLY A 2 -13.024 -17.254 9.879 1.00 52.12 C ATOM 3 C GLY A 2 -14.141 -16.267 9.778 1.00 23.12 C ATOM 4 O GLY A 2 -15.224 -16.587 9.277 1.00 1.20 O ATOM 0 HA2 GLY A 2 -12.139 -16.858 9.381 1.00 52.12 H new ATOM 0 HA3 GLY A 2 -13.299 -18.172 9.359 1.00 52.12 H new ATOM 8 N SER A 3 -13.893 -15.072 10.264 1.00 72.31 N ATOM 9 CA SER A 3 -14.870 -14.021 10.254 1.00 54.31 C ATOM 10 C SER A 3 -15.207 -13.617 8.805 1.00 13.45 C ATOM 11 O SER A 3 -16.321 -13.871 8.322 1.00 21.44 O ATOM 12 CB SER A 3 -14.327 -12.843 11.049 1.00 21.32 C ATOM 13 OG SER A 3 -13.940 -13.261 12.357 1.00 21.44 O ATOM 0 H SER A 3 -13.000 -14.806 10.679 1.00 72.31 H new ATOM 0 HA SER A 3 -15.795 -14.364 10.717 1.00 54.31 H new ATOM 0 HB2 SER A 3 -13.471 -12.410 10.531 1.00 21.32 H new ATOM 0 HB3 SER A 3 -15.085 -12.063 11.119 1.00 21.32 H new ATOM 0 HG SER A 3 -13.591 -12.493 12.856 1.00 21.44 H new ATOM 19 N GLU A 4 -14.242 -13.028 8.124 1.00 23.52 N ATOM 20 CA GLU A 4 -14.409 -12.630 6.743 1.00 15.43 C ATOM 21 C GLU A 4 -13.665 -13.626 5.860 1.00 74.33 C ATOM 22 O GLU A 4 -14.275 -14.394 5.115 1.00 23.23 O ATOM 23 CB GLU A 4 -13.841 -11.214 6.515 1.00 74.14 C ATOM 24 CG GLU A 4 -14.474 -10.114 7.370 1.00 21.30 C ATOM 25 CD GLU A 4 -15.936 -9.894 7.072 1.00 41.51 C ATOM 26 OE1 GLU A 4 -16.253 -9.127 6.140 1.00 54.33 O ATOM 27 OE2 GLU A 4 -16.794 -10.479 7.754 1.00 44.41 O ATOM 0 H GLU A 4 -13.324 -12.813 8.513 1.00 23.52 H new ATOM 0 HA GLU A 4 -15.470 -12.619 6.494 1.00 15.43 H new ATOM 0 HB2 GLU A 4 -12.769 -11.234 6.712 1.00 74.14 H new ATOM 0 HB3 GLU A 4 -13.968 -10.954 5.464 1.00 74.14 H new ATOM 0 HG2 GLU A 4 -14.360 -10.371 8.423 1.00 21.30 H new ATOM 0 HG3 GLU A 4 -13.933 -9.182 7.209 1.00 21.30 H new ATOM 34 N VAL A 5 -12.341 -13.621 6.005 1.00 23.20 N ATOM 35 CA VAL A 5 -11.415 -14.468 5.247 1.00 15.44 C ATOM 36 C VAL A 5 -11.639 -14.356 3.736 1.00 3.11 C ATOM 37 O VAL A 5 -12.272 -15.214 3.097 1.00 3.34 O ATOM 38 CB VAL A 5 -11.364 -15.952 5.729 1.00 52.13 C ATOM 39 CG1 VAL A 5 -10.333 -16.760 4.939 1.00 10.23 C ATOM 40 CG2 VAL A 5 -11.041 -16.009 7.210 1.00 4.02 C ATOM 0 H VAL A 5 -11.867 -13.011 6.671 1.00 23.20 H new ATOM 0 HA VAL A 5 -10.423 -14.069 5.461 1.00 15.44 H new ATOM 0 HB VAL A 5 -12.345 -16.394 5.555 1.00 52.13 H new ATOM 0 HG11 VAL A 5 -10.323 -17.789 5.300 1.00 10.23 H new ATOM 0 HG12 VAL A 5 -10.595 -16.749 3.881 1.00 10.23 H new ATOM 0 HG13 VAL A 5 -9.345 -16.319 5.073 1.00 10.23 H new ATOM 0 HG21 VAL A 5 -11.008 -17.049 7.535 1.00 4.02 H new ATOM 0 HG22 VAL A 5 -10.073 -15.542 7.389 1.00 4.02 H new ATOM 0 HG23 VAL A 5 -11.810 -15.478 7.771 1.00 4.02 H new ATOM 50 N SER A 6 -11.188 -13.250 3.220 1.00 4.41 N ATOM 51 CA SER A 6 -11.237 -12.901 1.828 1.00 2.32 C ATOM 52 C SER A 6 -10.579 -11.554 1.711 1.00 70.53 C ATOM 53 O SER A 6 -10.480 -10.825 2.720 1.00 63.13 O ATOM 54 CB SER A 6 -12.700 -12.842 1.317 1.00 42.42 C ATOM 55 OG SER A 6 -13.495 -11.938 2.082 1.00 41.41 O ATOM 0 H SER A 6 -10.751 -12.526 3.791 1.00 4.41 H new ATOM 0 HA SER A 6 -10.727 -13.648 1.220 1.00 2.32 H new ATOM 0 HB2 SER A 6 -12.707 -12.536 0.271 1.00 42.42 H new ATOM 0 HB3 SER A 6 -13.140 -13.838 1.360 1.00 42.42 H new ATOM 0 HG SER A 6 -14.409 -11.927 1.729 1.00 41.41 H new ATOM 61 N ASP A 7 -10.105 -11.201 0.555 1.00 42.42 N ATOM 62 CA ASP A 7 -9.501 -9.910 0.421 1.00 52.12 C ATOM 63 C ASP A 7 -10.472 -8.941 -0.191 1.00 64.43 C ATOM 64 O ASP A 7 -10.711 -8.930 -1.409 1.00 24.54 O ATOM 65 CB ASP A 7 -8.179 -9.928 -0.334 1.00 53.42 C ATOM 66 CG ASP A 7 -7.543 -8.556 -0.341 1.00 52.12 C ATOM 67 OD1 ASP A 7 -6.882 -8.189 0.663 1.00 11.42 O ATOM 68 OD2 ASP A 7 -7.702 -7.817 -1.314 1.00 72.15 O ATOM 0 H ASP A 7 -10.123 -11.772 -0.290 1.00 42.42 H new ATOM 0 HA ASP A 7 -9.252 -9.576 1.428 1.00 52.12 H new ATOM 0 HB2 ASP A 7 -7.501 -10.645 0.129 1.00 53.42 H new ATOM 0 HB3 ASP A 7 -8.345 -10.262 -1.358 1.00 53.42 H new ATOM 73 N LYS A 8 -11.072 -8.178 0.657 1.00 33.21 N ATOM 74 CA LYS A 8 -12.020 -7.189 0.266 1.00 45.44 C ATOM 75 C LYS A 8 -11.459 -5.832 0.597 1.00 15.32 C ATOM 76 O LYS A 8 -10.356 -5.746 1.154 1.00 41.00 O ATOM 77 CB LYS A 8 -13.334 -7.427 0.995 1.00 23.54 C ATOM 78 CG LYS A 8 -13.224 -7.408 2.505 1.00 61.33 C ATOM 79 CD LYS A 8 -14.569 -7.613 3.150 1.00 63.01 C ATOM 80 CE LYS A 8 -15.147 -8.988 2.848 1.00 51.43 C ATOM 81 NZ LYS A 8 -16.443 -9.187 3.506 1.00 42.13 N ATOM 0 H LYS A 8 -10.915 -8.224 1.664 1.00 33.21 H new ATOM 0 HA LYS A 8 -12.212 -7.245 -0.805 1.00 45.44 H new ATOM 0 HB2 LYS A 8 -14.050 -6.666 0.685 1.00 23.54 H new ATOM 0 HB3 LYS A 8 -13.738 -8.390 0.684 1.00 23.54 H new ATOM 0 HG2 LYS A 8 -12.538 -8.189 2.832 1.00 61.33 H new ATOM 0 HG3 LYS A 8 -12.803 -6.457 2.830 1.00 61.33 H new ATOM 0 HD2 LYS A 8 -14.476 -7.489 4.229 1.00 63.01 H new ATOM 0 HD3 LYS A 8 -15.259 -6.846 2.799 1.00 63.01 H new ATOM 0 HE2 LYS A 8 -15.264 -9.105 1.771 1.00 51.43 H new ATOM 0 HE3 LYS A 8 -14.449 -9.757 3.179 1.00 51.43 H new ATOM 0 HZ1 LYS A 8 -16.694 -10.196 3.480 1.00 42.13 H new ATOM 0 HZ2 LYS A 8 -16.382 -8.871 4.495 1.00 42.13 H new ATOM 0 HZ3 LYS A 8 -17.172 -8.636 3.010 1.00 42.13 H new ATOM 95 N ARG A 9 -12.168 -4.779 0.263 1.00 64.42 N ATOM 96 CA ARG A 9 -11.696 -3.468 0.611 1.00 64.03 C ATOM 97 C ARG A 9 -11.870 -3.228 2.100 1.00 5.44 C ATOM 98 O ARG A 9 -12.983 -3.016 2.596 1.00 41.44 O ATOM 99 CB ARG A 9 -12.313 -2.342 -0.260 1.00 30.42 C ATOM 100 CG ARG A 9 -13.832 -2.265 -0.265 1.00 24.54 C ATOM 101 CD ARG A 9 -14.322 -1.114 -1.129 1.00 42.45 C ATOM 102 NE ARG A 9 -13.901 -1.251 -2.537 1.00 31.35 N ATOM 103 CZ ARG A 9 -13.712 -0.220 -3.382 1.00 45.11 C ATOM 104 NH1 ARG A 9 -13.921 1.029 -2.967 1.00 32.42 N ATOM 105 NH2 ARG A 9 -13.326 -0.442 -4.642 1.00 25.30 N ATOM 0 H ARG A 9 -13.055 -4.806 -0.239 1.00 64.42 H new ATOM 0 HA ARG A 9 -10.630 -3.431 0.387 1.00 64.03 H new ATOM 0 HB2 ARG A 9 -11.921 -1.385 0.085 1.00 30.42 H new ATOM 0 HB3 ARG A 9 -11.972 -2.474 -1.287 1.00 30.42 H new ATOM 0 HG2 ARG A 9 -14.245 -3.203 -0.636 1.00 24.54 H new ATOM 0 HG3 ARG A 9 -14.196 -2.138 0.755 1.00 24.54 H new ATOM 0 HD2 ARG A 9 -15.410 -1.064 -1.081 1.00 42.45 H new ATOM 0 HD3 ARG A 9 -13.942 -0.174 -0.728 1.00 42.45 H new ATOM 0 HE ARG A 9 -13.742 -2.193 -2.895 1.00 31.35 H new ATOM 0 HH11 ARG A 9 -14.224 1.204 -2.009 1.00 32.42 H new ATOM 0 HH12 ARG A 9 -13.778 1.810 -3.607 1.00 32.42 H new ATOM 0 HH21 ARG A 9 -13.173 -1.396 -4.968 1.00 25.30 H new ATOM 0 HH22 ARG A 9 -13.184 0.343 -5.278 1.00 25.30 H new ATOM 119 N THR A 10 -10.785 -3.315 2.805 1.00 21.04 N ATOM 120 CA THR A 10 -10.774 -3.162 4.225 1.00 42.12 C ATOM 121 C THR A 10 -9.643 -2.238 4.602 1.00 5.00 C ATOM 122 O THR A 10 -8.518 -2.399 4.125 1.00 64.32 O ATOM 123 CB THR A 10 -10.574 -4.528 4.926 1.00 31.12 C ATOM 124 OG1 THR A 10 -11.576 -5.449 4.480 1.00 32.10 O ATOM 125 CG2 THR A 10 -10.667 -4.384 6.441 1.00 44.14 C ATOM 0 H THR A 10 -9.866 -3.498 2.402 1.00 21.04 H new ATOM 0 HA THR A 10 -11.730 -2.748 4.545 1.00 42.12 H new ATOM 0 HB THR A 10 -9.582 -4.900 4.670 1.00 31.12 H new ATOM 0 HG1 THR A 10 -11.447 -6.313 4.924 1.00 32.10 H new ATOM 0 HG21 THR A 10 -10.523 -5.358 6.909 1.00 44.14 H new ATOM 0 HG22 THR A 10 -9.896 -3.697 6.789 1.00 44.14 H new ATOM 0 HG23 THR A 10 -11.649 -3.994 6.710 1.00 44.14 H new ATOM 133 N CYS A 11 -9.934 -1.279 5.417 1.00 41.35 N ATOM 134 CA CYS A 11 -8.951 -0.348 5.833 1.00 41.30 C ATOM 135 C CYS A 11 -8.991 -0.213 7.335 1.00 33.35 C ATOM 136 O CYS A 11 -10.072 -0.298 7.951 1.00 22.32 O ATOM 137 CB CYS A 11 -9.194 1.003 5.173 1.00 34.44 C ATOM 138 SG CYS A 11 -7.919 2.239 5.530 1.00 73.12 S ATOM 0 H CYS A 11 -10.862 -1.123 5.811 1.00 41.35 H new ATOM 0 HA CYS A 11 -7.966 -0.705 5.532 1.00 41.30 H new ATOM 0 HB2 CYS A 11 -9.257 0.862 4.094 1.00 34.44 H new ATOM 0 HB3 CYS A 11 -10.160 1.387 5.501 1.00 34.44 H new ATOM 143 N VAL A 12 -7.840 -0.038 7.927 1.00 41.53 N ATOM 144 CA VAL A 12 -7.732 0.142 9.354 1.00 71.44 C ATOM 145 C VAL A 12 -7.905 1.626 9.653 1.00 2.24 C ATOM 146 O VAL A 12 -8.913 2.056 10.223 1.00 11.42 O ATOM 147 CB VAL A 12 -6.340 -0.325 9.874 1.00 74.32 C ATOM 148 CG1 VAL A 12 -6.256 -0.223 11.384 1.00 2.22 C ATOM 149 CG2 VAL A 12 -6.030 -1.738 9.416 1.00 43.04 C ATOM 0 H VAL A 12 -6.947 -0.016 7.434 1.00 41.53 H new ATOM 0 HA VAL A 12 -8.497 -0.454 9.852 1.00 71.44 H new ATOM 0 HB VAL A 12 -5.591 0.342 9.448 1.00 74.32 H new ATOM 0 HG11 VAL A 12 -5.273 -0.556 11.717 1.00 2.22 H new ATOM 0 HG12 VAL A 12 -6.411 0.812 11.688 1.00 2.22 H new ATOM 0 HG13 VAL A 12 -7.024 -0.852 11.834 1.00 2.22 H new ATOM 0 HG21 VAL A 12 -5.052 -2.037 9.794 1.00 43.04 H new ATOM 0 HG22 VAL A 12 -6.790 -2.419 9.798 1.00 43.04 H new ATOM 0 HG23 VAL A 12 -6.024 -1.774 8.327 1.00 43.04 H new ATOM 159 N SER A 13 -6.933 2.384 9.214 1.00 40.23 N ATOM 160 CA SER A 13 -6.877 3.812 9.344 1.00 0.21 C ATOM 161 C SER A 13 -5.629 4.274 8.645 1.00 31.34 C ATOM 162 O SER A 13 -4.754 3.444 8.338 1.00 33.00 O ATOM 163 CB SER A 13 -6.853 4.234 10.815 1.00 62.35 C ATOM 164 OG SER A 13 -5.796 3.595 11.529 1.00 5.22 O ATOM 0 H SER A 13 -6.120 2.000 8.733 1.00 40.23 H new ATOM 0 HA SER A 13 -7.763 4.264 8.899 1.00 0.21 H new ATOM 0 HB2 SER A 13 -6.736 5.316 10.882 1.00 62.35 H new ATOM 0 HB3 SER A 13 -7.808 3.988 11.280 1.00 62.35 H new ATOM 0 HG SER A 13 -5.809 3.888 12.464 1.00 5.22 H new ATOM 170 N LEU A 14 -5.526 5.550 8.378 1.00 14.32 N ATOM 171 CA LEU A 14 -4.384 6.065 7.682 1.00 21.31 C ATOM 172 C LEU A 14 -3.190 6.218 8.587 1.00 32.51 C ATOM 173 O LEU A 14 -3.093 7.149 9.397 1.00 32.12 O ATOM 174 CB LEU A 14 -4.677 7.341 6.889 1.00 22.35 C ATOM 175 CG LEU A 14 -5.685 7.194 5.731 1.00 43.23 C ATOM 176 CD1 LEU A 14 -7.109 6.992 6.213 1.00 33.13 C ATOM 177 CD2 LEU A 14 -5.583 8.341 4.754 1.00 2.20 C ATOM 0 H LEU A 14 -6.222 6.250 8.634 1.00 14.32 H new ATOM 0 HA LEU A 14 -4.128 5.311 6.938 1.00 21.31 H new ATOM 0 HB2 LEU A 14 -5.052 8.097 7.579 1.00 22.35 H new ATOM 0 HB3 LEU A 14 -3.738 7.718 6.483 1.00 22.35 H new ATOM 0 HG LEU A 14 -5.410 6.283 5.199 1.00 43.23 H new ATOM 0 HD11 LEU A 14 -7.773 6.895 5.354 1.00 33.13 H new ATOM 0 HD12 LEU A 14 -7.163 6.087 6.818 1.00 33.13 H new ATOM 0 HD13 LEU A 14 -7.415 7.849 6.813 1.00 33.13 H new ATOM 0 HD21 LEU A 14 -6.309 8.202 3.953 1.00 2.20 H new ATOM 0 HD22 LEU A 14 -5.788 9.278 5.271 1.00 2.20 H new ATOM 0 HD23 LEU A 14 -4.578 8.372 4.332 1.00 2.20 H new ATOM 189 N THR A 15 -2.318 5.288 8.443 1.00 44.14 N ATOM 190 CA THR A 15 -1.123 5.182 9.150 1.00 1.22 C ATOM 191 C THR A 15 -0.093 6.137 8.564 1.00 61.54 C ATOM 192 O THR A 15 0.190 6.111 7.360 1.00 45.40 O ATOM 193 CB THR A 15 -0.647 3.733 9.020 1.00 14.25 C ATOM 194 OG1 THR A 15 -1.658 2.855 9.558 1.00 14.44 O ATOM 195 CG2 THR A 15 0.641 3.521 9.735 1.00 44.33 C ATOM 0 H THR A 15 -2.444 4.530 7.773 1.00 44.14 H new ATOM 0 HA THR A 15 -1.262 5.443 10.199 1.00 1.22 H new ATOM 0 HB THR A 15 -0.483 3.513 7.965 1.00 14.25 H new ATOM 0 HG1 THR A 15 -2.324 2.660 8.866 1.00 14.44 H new ATOM 0 HG21 THR A 15 0.952 2.482 9.624 1.00 44.33 H new ATOM 0 HG22 THR A 15 1.404 4.175 9.313 1.00 44.33 H new ATOM 0 HG23 THR A 15 0.512 3.750 10.793 1.00 44.33 H new ATOM 203 N THR A 16 0.434 6.999 9.394 1.00 2.12 N ATOM 204 CA THR A 16 1.415 7.932 8.950 1.00 34.05 C ATOM 205 C THR A 16 2.828 7.528 9.375 1.00 74.41 C ATOM 206 O THR A 16 3.807 8.168 8.959 1.00 20.01 O ATOM 207 CB THR A 16 1.079 9.360 9.412 1.00 35.42 C ATOM 208 OG1 THR A 16 0.879 9.371 10.832 1.00 1.00 O ATOM 209 CG2 THR A 16 -0.180 9.866 8.720 1.00 22.22 C ATOM 0 H THR A 16 0.194 7.068 10.383 1.00 2.12 H new ATOM 0 HA THR A 16 1.395 7.920 7.860 1.00 34.05 H new ATOM 0 HB THR A 16 1.910 10.015 9.150 1.00 35.42 H new ATOM 0 HG1 THR A 16 0.667 10.282 11.125 1.00 1.00 H new ATOM 0 HG21 THR A 16 -0.401 10.878 9.060 1.00 22.22 H new ATOM 0 HG22 THR A 16 -0.025 9.872 7.641 1.00 22.22 H new ATOM 0 HG23 THR A 16 -1.017 9.211 8.963 1.00 22.22 H new ATOM 217 N GLN A 17 2.947 6.466 10.199 1.00 2.34 N ATOM 218 CA GLN A 17 4.274 5.986 10.584 1.00 0.11 C ATOM 219 C GLN A 17 4.902 5.348 9.369 1.00 13.55 C ATOM 220 O GLN A 17 4.214 4.696 8.588 1.00 44.54 O ATOM 221 CB GLN A 17 4.257 4.990 11.768 1.00 52.34 C ATOM 222 CG GLN A 17 3.598 3.650 11.481 1.00 65.45 C ATOM 223 CD GLN A 17 3.730 2.684 12.635 1.00 61.02 C ATOM 224 OE1 GLN A 17 4.705 1.928 12.716 1.00 43.32 O ATOM 225 NE2 GLN A 17 2.762 2.677 13.517 1.00 42.21 N ATOM 0 H GLN A 17 2.164 5.945 10.595 1.00 2.34 H new ATOM 0 HA GLN A 17 4.854 6.839 10.934 1.00 0.11 H new ATOM 0 HB2 GLN A 17 5.284 4.810 12.085 1.00 52.34 H new ATOM 0 HB3 GLN A 17 3.742 5.457 12.607 1.00 52.34 H new ATOM 0 HG2 GLN A 17 2.542 3.807 11.261 1.00 65.45 H new ATOM 0 HG3 GLN A 17 4.047 3.211 10.590 1.00 65.45 H new ATOM 0 HE21 GLN A 17 1.974 3.317 13.415 1.00 42.21 H new ATOM 0 HE22 GLN A 17 2.796 2.032 14.306 1.00 42.21 H new ATOM 234 N ARG A 18 6.169 5.518 9.206 1.00 75.42 N ATOM 235 CA ARG A 18 6.800 5.106 7.991 1.00 45.22 C ATOM 236 C ARG A 18 7.277 3.671 8.021 1.00 31.14 C ATOM 237 O ARG A 18 8.028 3.270 8.909 1.00 44.21 O ATOM 238 CB ARG A 18 7.954 6.014 7.660 1.00 30.13 C ATOM 239 CG ARG A 18 7.566 7.465 7.620 1.00 42.11 C ATOM 240 CD ARG A 18 8.667 8.305 7.056 1.00 4.11 C ATOM 241 NE ARG A 18 9.897 8.243 7.867 1.00 65.13 N ATOM 242 CZ ARG A 18 10.986 9.006 7.687 1.00 50.42 C ATOM 243 NH1 ARG A 18 11.011 9.938 6.727 1.00 70.30 N ATOM 244 NH2 ARG A 18 12.048 8.843 8.480 1.00 52.55 N ATOM 0 H ARG A 18 6.792 5.939 9.896 1.00 75.42 H new ATOM 0 HA ARG A 18 6.036 5.174 7.216 1.00 45.22 H new ATOM 0 HB2 ARG A 18 8.743 5.875 8.399 1.00 30.13 H new ATOM 0 HB3 ARG A 18 8.369 5.728 6.694 1.00 30.13 H new ATOM 0 HG2 ARG A 18 6.667 7.587 7.016 1.00 42.11 H new ATOM 0 HG3 ARG A 18 7.323 7.807 8.626 1.00 42.11 H new ATOM 0 HD2 ARG A 18 8.888 7.975 6.041 1.00 4.11 H new ATOM 0 HD3 ARG A 18 8.332 9.340 6.989 1.00 4.11 H new ATOM 0 HE ARG A 18 9.922 7.564 8.628 1.00 65.13 H new ATOM 0 HH11 ARG A 18 10.198 10.073 6.126 1.00 70.30 H new ATOM 0 HH12 ARG A 18 11.843 10.514 6.597 1.00 70.30 H new ATOM 0 HH21 ARG A 18 12.029 8.140 9.219 1.00 52.55 H new ATOM 0 HH22 ARG A 18 12.878 9.421 8.346 1.00 52.55 H new ATOM 258 N LEU A 19 6.821 2.908 7.061 1.00 31.22 N ATOM 259 CA LEU A 19 7.293 1.567 6.841 1.00 72.22 C ATOM 260 C LEU A 19 8.238 1.612 5.655 1.00 22.33 C ATOM 261 O LEU A 19 7.966 2.317 4.685 1.00 60.11 O ATOM 262 CB LEU A 19 6.146 0.563 6.515 1.00 51.32 C ATOM 263 CG LEU A 19 5.102 0.228 7.608 1.00 2.04 C ATOM 264 CD1 LEU A 19 4.230 1.424 7.964 1.00 24.12 C ATOM 265 CD2 LEU A 19 4.244 -0.946 7.160 1.00 31.14 C ATOM 0 H LEU A 19 6.102 3.206 6.402 1.00 31.22 H new ATOM 0 HA LEU A 19 7.774 1.220 7.755 1.00 72.22 H new ATOM 0 HB2 LEU A 19 5.605 0.952 5.653 1.00 51.32 H new ATOM 0 HB3 LEU A 19 6.608 -0.374 6.205 1.00 51.32 H new ATOM 0 HG LEU A 19 5.647 -0.044 8.512 1.00 2.04 H new ATOM 0 HD11 LEU A 19 3.515 1.136 8.735 1.00 24.12 H new ATOM 0 HD12 LEU A 19 4.858 2.234 8.336 1.00 24.12 H new ATOM 0 HD13 LEU A 19 3.692 1.759 7.077 1.00 24.12 H new ATOM 0 HD21 LEU A 19 3.511 -1.177 7.933 1.00 31.14 H new ATOM 0 HD22 LEU A 19 3.727 -0.687 6.236 1.00 31.14 H new ATOM 0 HD23 LEU A 19 4.878 -1.816 6.989 1.00 31.14 H new ATOM 277 N PRO A 20 9.362 0.902 5.711 1.00 31.55 N ATOM 278 CA PRO A 20 10.306 0.859 4.598 1.00 61.31 C ATOM 279 C PRO A 20 9.683 0.204 3.385 1.00 14.02 C ATOM 280 O PRO A 20 8.920 -0.776 3.511 1.00 3.14 O ATOM 281 CB PRO A 20 11.472 0.021 5.135 1.00 14.54 C ATOM 282 CG PRO A 20 10.894 -0.758 6.267 1.00 63.13 C ATOM 283 CD PRO A 20 9.806 0.091 6.850 1.00 42.12 C ATOM 0 HA PRO A 20 10.617 1.852 4.273 1.00 61.31 H new ATOM 0 HB2 PRO A 20 11.872 -0.639 4.365 1.00 14.54 H new ATOM 0 HB3 PRO A 20 12.293 0.655 5.470 1.00 14.54 H new ATOM 0 HG2 PRO A 20 10.498 -1.713 5.920 1.00 63.13 H new ATOM 0 HG3 PRO A 20 11.656 -0.981 7.014 1.00 63.13 H new ATOM 0 HD2 PRO A 20 8.995 -0.516 7.252 1.00 42.12 H new ATOM 0 HD3 PRO A 20 10.175 0.712 7.666 1.00 42.12 H new ATOM 291 N CYS A 21 10.009 0.722 2.221 1.00 33.24 N ATOM 292 CA CYS A 21 9.456 0.244 0.970 1.00 4.33 C ATOM 293 C CYS A 21 9.792 -1.237 0.748 1.00 71.35 C ATOM 294 O CYS A 21 9.088 -1.944 0.029 1.00 30.04 O ATOM 295 CB CYS A 21 9.969 1.079 -0.193 1.00 33.11 C ATOM 296 SG CYS A 21 9.638 2.885 -0.081 1.00 23.42 S ATOM 0 H CYS A 21 10.670 1.492 2.114 1.00 33.24 H new ATOM 0 HA CYS A 21 8.372 0.343 1.023 1.00 4.33 H new ATOM 0 HB2 CYS A 21 11.045 0.930 -0.277 1.00 33.11 H new ATOM 0 HB3 CYS A 21 9.522 0.702 -1.113 1.00 33.11 H new ATOM 301 N SER A 22 10.849 -1.698 1.403 1.00 53.04 N ATOM 302 CA SER A 22 11.289 -3.079 1.338 1.00 52.24 C ATOM 303 C SER A 22 10.236 -4.039 1.942 1.00 10.04 C ATOM 304 O SER A 22 10.237 -5.233 1.662 1.00 60.43 O ATOM 305 CB SER A 22 12.596 -3.207 2.107 1.00 43.31 C ATOM 306 OG SER A 22 13.540 -2.251 1.646 1.00 42.15 O ATOM 0 H SER A 22 11.431 -1.112 2.002 1.00 53.04 H new ATOM 0 HA SER A 22 11.428 -3.354 0.292 1.00 52.24 H new ATOM 0 HB2 SER A 22 12.414 -3.063 3.172 1.00 43.31 H new ATOM 0 HB3 SER A 22 12.999 -4.212 1.986 1.00 43.31 H new ATOM 0 HG SER A 22 14.374 -2.345 2.151 1.00 42.15 H new ATOM 312 N ARG A 23 9.344 -3.509 2.770 1.00 40.32 N ATOM 313 CA ARG A 23 8.329 -4.330 3.408 1.00 63.52 C ATOM 314 C ARG A 23 6.964 -4.126 2.766 1.00 3.44 C ATOM 315 O ARG A 23 5.957 -4.686 3.227 1.00 12.40 O ATOM 316 CB ARG A 23 8.279 -4.088 4.921 1.00 34.13 C ATOM 317 CG ARG A 23 9.577 -4.442 5.630 1.00 51.44 C ATOM 318 CD ARG A 23 9.467 -4.273 7.132 1.00 12.42 C ATOM 319 NE ARG A 23 10.739 -4.573 7.814 1.00 32.24 N ATOM 320 CZ ARG A 23 10.859 -4.876 9.122 1.00 32.13 C ATOM 321 NH1 ARG A 23 9.774 -5.060 9.874 1.00 55.23 N ATOM 322 NH2 ARG A 23 12.064 -5.026 9.661 1.00 2.41 N ATOM 0 H ARG A 23 9.305 -2.519 3.013 1.00 40.32 H new ATOM 0 HA ARG A 23 8.610 -5.372 3.255 1.00 63.52 H new ATOM 0 HB2 ARG A 23 8.046 -3.040 5.107 1.00 34.13 H new ATOM 0 HB3 ARG A 23 7.467 -4.676 5.349 1.00 34.13 H new ATOM 0 HG2 ARG A 23 9.847 -5.473 5.400 1.00 51.44 H new ATOM 0 HG3 ARG A 23 10.381 -3.810 5.252 1.00 51.44 H new ATOM 0 HD2 ARG A 23 9.165 -3.251 7.361 1.00 12.42 H new ATOM 0 HD3 ARG A 23 8.686 -4.930 7.515 1.00 12.42 H new ATOM 0 HE ARG A 23 11.592 -4.550 7.255 1.00 32.24 H new ATOM 0 HH11 ARG A 23 8.846 -4.972 9.460 1.00 55.23 H new ATOM 0 HH12 ARG A 23 9.872 -5.289 10.863 1.00 55.23 H new ATOM 0 HH21 ARG A 23 12.898 -4.912 9.085 1.00 2.41 H new ATOM 0 HH22 ARG A 23 12.155 -5.255 10.651 1.00 2.41 H new ATOM 336 N ILE A 24 6.938 -3.330 1.710 1.00 41.32 N ATOM 337 CA ILE A 24 5.734 -3.110 0.936 1.00 73.23 C ATOM 338 C ILE A 24 5.563 -4.277 -0.040 1.00 42.43 C ATOM 339 O ILE A 24 6.494 -4.626 -0.775 1.00 20.24 O ATOM 340 CB ILE A 24 5.803 -1.792 0.106 1.00 5.21 C ATOM 341 CG1 ILE A 24 5.953 -0.541 1.009 1.00 2.25 C ATOM 342 CG2 ILE A 24 4.560 -1.680 -0.764 1.00 32.24 C ATOM 343 CD1 ILE A 24 4.728 -0.169 1.810 1.00 4.25 C ATOM 0 H ILE A 24 7.752 -2.820 1.368 1.00 41.32 H new ATOM 0 HA ILE A 24 4.898 -3.035 1.631 1.00 73.23 H new ATOM 0 HB ILE A 24 6.691 -1.833 -0.525 1.00 5.21 H new ATOM 0 HG12 ILE A 24 6.780 -0.709 1.699 1.00 2.25 H new ATOM 0 HG13 ILE A 24 6.228 0.307 0.382 1.00 2.25 H new ATOM 0 HG21 ILE A 24 4.605 -0.759 -1.346 1.00 32.24 H new ATOM 0 HG22 ILE A 24 4.510 -2.534 -1.439 1.00 32.24 H new ATOM 0 HG23 ILE A 24 3.673 -1.666 -0.131 1.00 32.24 H new ATOM 0 HD11 ILE A 24 4.939 0.718 2.407 1.00 4.25 H new ATOM 0 HD12 ILE A 24 3.899 0.038 1.133 1.00 4.25 H new ATOM 0 HD13 ILE A 24 4.460 -0.994 2.470 1.00 4.25 H new ATOM 355 N LYS A 25 4.408 -4.882 -0.034 1.00 31.33 N ATOM 356 CA LYS A 25 4.131 -5.970 -0.932 1.00 30.33 C ATOM 357 C LYS A 25 3.373 -5.425 -2.141 1.00 75.34 C ATOM 358 O LYS A 25 3.702 -5.735 -3.282 1.00 61.34 O ATOM 359 CB LYS A 25 3.324 -7.042 -0.176 1.00 73.32 C ATOM 360 CG LYS A 25 3.118 -8.406 -0.877 1.00 10.45 C ATOM 361 CD LYS A 25 2.188 -8.347 -2.084 1.00 23.33 C ATOM 362 CE LYS A 25 2.000 -9.723 -2.690 1.00 51.13 C ATOM 363 NZ LYS A 25 1.108 -9.707 -3.863 1.00 20.55 N ATOM 0 H LYS A 25 3.637 -4.638 0.588 1.00 31.33 H new ATOM 0 HA LYS A 25 5.050 -6.433 -1.292 1.00 30.33 H new ATOM 0 HB2 LYS A 25 3.819 -7.225 0.778 1.00 73.32 H new ATOM 0 HB3 LYS A 25 2.341 -6.627 0.049 1.00 73.32 H new ATOM 0 HG2 LYS A 25 4.087 -8.789 -1.196 1.00 10.45 H new ATOM 0 HG3 LYS A 25 2.716 -9.117 -0.155 1.00 10.45 H new ATOM 0 HD2 LYS A 25 1.221 -7.942 -1.784 1.00 23.33 H new ATOM 0 HD3 LYS A 25 2.599 -7.669 -2.832 1.00 23.33 H new ATOM 0 HE2 LYS A 25 2.971 -10.124 -2.982 1.00 51.13 H new ATOM 0 HE3 LYS A 25 1.591 -10.396 -1.936 1.00 51.13 H new ATOM 0 HZ1 LYS A 25 1.013 -10.672 -4.240 1.00 20.55 H new ATOM 0 HZ2 LYS A 25 0.172 -9.351 -3.583 1.00 20.55 H new ATOM 0 HZ3 LYS A 25 1.509 -9.087 -4.596 1.00 20.55 H new ATOM 377 N THR A 26 2.372 -4.618 -1.881 1.00 70.44 N ATOM 378 CA THR A 26 1.575 -4.034 -2.925 1.00 51.42 C ATOM 379 C THR A 26 0.772 -2.894 -2.318 1.00 12.35 C ATOM 380 O THR A 26 0.692 -2.784 -1.081 1.00 71.43 O ATOM 381 CB THR A 26 0.616 -5.096 -3.577 1.00 32.15 C ATOM 382 OG1 THR A 26 -0.044 -4.548 -4.728 1.00 43.32 O ATOM 383 CG2 THR A 26 -0.435 -5.582 -2.584 1.00 43.14 C ATOM 0 H THR A 26 2.090 -4.350 -0.938 1.00 70.44 H new ATOM 0 HA THR A 26 2.225 -3.664 -3.717 1.00 51.42 H new ATOM 0 HB THR A 26 1.233 -5.942 -3.879 1.00 32.15 H new ATOM 0 HG1 THR A 26 -0.634 -5.225 -5.120 1.00 43.32 H new ATOM 0 HG21 THR A 26 -1.081 -6.315 -3.067 1.00 43.14 H new ATOM 0 HG22 THR A 26 0.059 -6.042 -1.728 1.00 43.14 H new ATOM 0 HG23 THR A 26 -1.035 -4.737 -2.246 1.00 43.14 H new ATOM 391 N TYR A 27 0.207 -2.052 -3.148 1.00 12.43 N ATOM 392 CA TYR A 27 -0.602 -0.959 -2.673 1.00 3.52 C ATOM 393 C TYR A 27 -1.883 -0.888 -3.481 1.00 51.41 C ATOM 394 O TYR A 27 -1.969 -1.442 -4.568 1.00 51.01 O ATOM 395 CB TYR A 27 0.135 0.400 -2.782 1.00 25.03 C ATOM 396 CG TYR A 27 0.369 0.879 -4.190 1.00 74.12 C ATOM 397 CD1 TYR A 27 -0.638 1.534 -4.877 1.00 44.20 C ATOM 398 CD2 TYR A 27 1.577 0.689 -4.827 1.00 72.12 C ATOM 399 CE1 TYR A 27 -0.468 1.977 -6.144 1.00 75.11 C ATOM 400 CE2 TYR A 27 1.765 1.143 -6.122 1.00 32.14 C ATOM 401 CZ TYR A 27 0.732 1.785 -6.774 1.00 21.25 C ATOM 402 OH TYR A 27 0.906 2.227 -8.064 1.00 73.34 O ATOM 0 H TYR A 27 0.294 -2.105 -4.163 1.00 12.43 H new ATOM 0 HA TYR A 27 -0.819 -1.145 -1.621 1.00 3.52 H new ATOM 0 HB2 TYR A 27 -0.442 1.154 -2.248 1.00 25.03 H new ATOM 0 HB3 TYR A 27 1.097 0.317 -2.276 1.00 25.03 H new ATOM 0 HD1 TYR A 27 -1.587 1.696 -4.388 1.00 44.20 H new ATOM 0 HD2 TYR A 27 2.381 0.183 -4.313 1.00 72.12 H new ATOM 0 HE1 TYR A 27 -1.275 2.480 -6.656 1.00 75.11 H new ATOM 0 HE2 TYR A 27 2.713 0.996 -6.618 1.00 32.14 H new ATOM 0 HH TYR A 27 0.345 3.016 -8.218 1.00 73.34 H new ATOM 412 N THR A 28 -2.843 -0.219 -2.952 1.00 30.55 N ATOM 413 CA THR A 28 -4.077 0.041 -3.620 1.00 31.43 C ATOM 414 C THR A 28 -4.471 1.474 -3.290 1.00 70.14 C ATOM 415 O THR A 28 -4.667 1.803 -2.121 1.00 1.12 O ATOM 416 CB THR A 28 -5.182 -0.908 -3.120 1.00 10.01 C ATOM 417 OG1 THR A 28 -4.722 -2.270 -3.189 1.00 42.53 O ATOM 418 CG2 THR A 28 -6.442 -0.766 -3.969 1.00 33.14 C ATOM 0 H THR A 28 -2.795 0.177 -2.013 1.00 30.55 H new ATOM 0 HA THR A 28 -3.958 -0.111 -4.693 1.00 31.43 H new ATOM 0 HB THR A 28 -5.417 -0.645 -2.089 1.00 10.01 H new ATOM 0 HG1 THR A 28 -5.427 -2.870 -2.869 1.00 42.53 H new ATOM 0 HG21 THR A 28 -7.209 -1.446 -3.598 1.00 33.14 H new ATOM 0 HG22 THR A 28 -6.807 0.260 -3.910 1.00 33.14 H new ATOM 0 HG23 THR A 28 -6.212 -1.010 -5.006 1.00 33.14 H new ATOM 426 N ILE A 29 -4.550 2.313 -4.268 1.00 13.03 N ATOM 427 CA ILE A 29 -4.955 3.684 -4.033 1.00 1.34 C ATOM 428 C ILE A 29 -6.455 3.780 -4.192 1.00 63.24 C ATOM 429 O ILE A 29 -7.022 3.241 -5.149 1.00 43.32 O ATOM 430 CB ILE A 29 -4.231 4.697 -4.976 1.00 1.35 C ATOM 431 CG1 ILE A 29 -2.714 4.631 -4.751 1.00 71.24 C ATOM 432 CG2 ILE A 29 -4.744 6.125 -4.742 1.00 64.33 C ATOM 433 CD1 ILE A 29 -1.913 5.554 -5.650 1.00 64.23 C ATOM 0 H ILE A 29 -4.343 2.087 -5.241 1.00 13.03 H new ATOM 0 HA ILE A 29 -4.665 3.957 -3.018 1.00 1.34 H new ATOM 0 HB ILE A 29 -4.449 4.424 -6.009 1.00 1.35 H new ATOM 0 HG12 ILE A 29 -2.501 4.879 -3.711 1.00 71.24 H new ATOM 0 HG13 ILE A 29 -2.378 3.606 -4.909 1.00 71.24 H new ATOM 0 HG21 ILE A 29 -4.225 6.812 -5.410 1.00 64.33 H new ATOM 0 HG22 ILE A 29 -5.815 6.164 -4.942 1.00 64.33 H new ATOM 0 HG23 ILE A 29 -4.557 6.414 -3.708 1.00 64.33 H new ATOM 0 HD11 ILE A 29 -0.851 5.447 -5.428 1.00 64.23 H new ATOM 0 HD12 ILE A 29 -2.094 5.293 -6.693 1.00 64.23 H new ATOM 0 HD13 ILE A 29 -2.218 6.586 -5.476 1.00 64.23 H new ATOM 445 N THR A 30 -7.091 4.411 -3.259 1.00 2.14 N ATOM 446 CA THR A 30 -8.510 4.533 -3.283 1.00 21.31 C ATOM 447 C THR A 30 -8.935 5.977 -3.482 1.00 11.35 C ATOM 448 O THR A 30 -8.276 6.902 -3.000 1.00 21.12 O ATOM 449 CB THR A 30 -9.124 3.955 -1.990 1.00 52.04 C ATOM 450 OG1 THR A 30 -8.451 4.502 -0.838 1.00 63.14 O ATOM 451 CG2 THR A 30 -9.018 2.434 -1.968 1.00 42.43 C ATOM 0 H THR A 30 -6.640 4.856 -2.459 1.00 2.14 H new ATOM 0 HA THR A 30 -8.883 3.958 -4.130 1.00 21.31 H new ATOM 0 HB THR A 30 -10.178 4.230 -1.963 1.00 52.04 H new ATOM 0 HG1 THR A 30 -7.490 4.320 -0.903 1.00 63.14 H new ATOM 0 HG21 THR A 30 -9.458 2.052 -1.047 1.00 42.43 H new ATOM 0 HG22 THR A 30 -9.551 2.020 -2.824 1.00 42.43 H new ATOM 0 HG23 THR A 30 -7.969 2.142 -2.018 1.00 42.43 H new ATOM 459 N GLU A 31 -9.999 6.160 -4.230 1.00 50.43 N ATOM 460 CA GLU A 31 -10.570 7.458 -4.447 1.00 11.50 C ATOM 461 C GLU A 31 -12.084 7.352 -4.448 1.00 53.42 C ATOM 462 O GLU A 31 -12.651 6.353 -4.920 1.00 22.44 O ATOM 463 CB GLU A 31 -10.047 8.123 -5.739 1.00 43.32 C ATOM 464 CG GLU A 31 -10.271 7.321 -7.013 1.00 14.14 C ATOM 465 CD GLU A 31 -9.844 8.072 -8.254 1.00 65.43 C ATOM 466 OE1 GLU A 31 -10.683 8.789 -8.837 1.00 11.41 O ATOM 467 OE2 GLU A 31 -8.680 7.950 -8.675 1.00 5.32 O ATOM 0 H GLU A 31 -10.491 5.404 -4.705 1.00 50.43 H new ATOM 0 HA GLU A 31 -10.259 8.107 -3.629 1.00 11.50 H new ATOM 0 HB2 GLU A 31 -10.529 9.094 -5.850 1.00 43.32 H new ATOM 0 HB3 GLU A 31 -8.979 8.308 -5.627 1.00 43.32 H new ATOM 0 HG2 GLU A 31 -9.717 6.384 -6.951 1.00 14.14 H new ATOM 0 HG3 GLU A 31 -11.327 7.062 -7.094 1.00 14.14 H new ATOM 474 N GLY A 32 -12.716 8.350 -3.901 1.00 11.12 N ATOM 475 CA GLY A 32 -14.145 8.401 -3.795 1.00 0.24 C ATOM 476 C GLY A 32 -14.518 9.211 -2.589 1.00 44.53 C ATOM 477 O GLY A 32 -14.511 10.441 -2.628 1.00 34.33 O ATOM 0 H GLY A 32 -12.244 9.165 -3.509 1.00 11.12 H new ATOM 0 HA2 GLY A 32 -14.573 8.845 -4.694 1.00 0.24 H new ATOM 0 HA3 GLY A 32 -14.552 7.393 -3.712 1.00 0.24 H new ATOM 481 N SER A 33 -14.808 8.544 -1.525 1.00 51.22 N ATOM 482 CA SER A 33 -15.087 9.203 -0.286 1.00 13.53 C ATOM 483 C SER A 33 -13.841 9.114 0.599 1.00 72.31 C ATOM 484 O SER A 33 -13.506 10.048 1.327 1.00 44.11 O ATOM 485 CB SER A 33 -16.309 8.572 0.403 1.00 11.13 C ATOM 486 OG SER A 33 -16.670 9.285 1.582 1.00 73.50 O ATOM 0 H SER A 33 -14.860 7.526 -1.485 1.00 51.22 H new ATOM 0 HA SER A 33 -15.329 10.250 -0.466 1.00 13.53 H new ATOM 0 HB2 SER A 33 -17.152 8.560 -0.288 1.00 11.13 H new ATOM 0 HB3 SER A 33 -16.090 7.535 0.657 1.00 11.13 H new ATOM 0 HG SER A 33 -17.450 8.860 1.995 1.00 73.50 H new ATOM 492 N LEU A 34 -13.145 8.008 0.499 1.00 24.43 N ATOM 493 CA LEU A 34 -11.938 7.800 1.256 1.00 54.13 C ATOM 494 C LEU A 34 -10.775 7.676 0.299 1.00 21.41 C ATOM 495 O LEU A 34 -10.835 6.897 -0.658 1.00 44.33 O ATOM 496 CB LEU A 34 -12.053 6.523 2.101 1.00 34.11 C ATOM 497 CG LEU A 34 -10.851 6.168 2.970 1.00 2.42 C ATOM 498 CD1 LEU A 34 -10.607 7.221 4.046 1.00 72.10 C ATOM 499 CD2 LEU A 34 -11.006 4.785 3.578 1.00 1.15 C ATOM 0 H LEU A 34 -13.400 7.229 -0.108 1.00 24.43 H new ATOM 0 HA LEU A 34 -11.780 8.646 1.925 1.00 54.13 H new ATOM 0 HB2 LEU A 34 -12.924 6.620 2.748 1.00 34.11 H new ATOM 0 HB3 LEU A 34 -12.247 5.687 1.429 1.00 34.11 H new ATOM 0 HG LEU A 34 -9.972 6.153 2.325 1.00 2.42 H new ATOM 0 HD11 LEU A 34 -9.743 6.935 4.646 1.00 72.10 H new ATOM 0 HD12 LEU A 34 -10.418 8.186 3.575 1.00 72.10 H new ATOM 0 HD13 LEU A 34 -11.485 7.296 4.687 1.00 72.10 H new ATOM 0 HD21 LEU A 34 -10.135 4.558 4.193 1.00 1.15 H new ATOM 0 HD22 LEU A 34 -11.903 4.758 4.196 1.00 1.15 H new ATOM 0 HD23 LEU A 34 -11.091 4.045 2.782 1.00 1.15 H new ATOM 511 N ARG A 35 -9.754 8.469 0.512 1.00 33.42 N ATOM 512 CA ARG A 35 -8.554 8.373 -0.280 1.00 73.32 C ATOM 513 C ARG A 35 -7.418 7.931 0.597 1.00 2.42 C ATOM 514 O ARG A 35 -6.940 8.688 1.443 1.00 65.22 O ATOM 515 CB ARG A 35 -8.201 9.706 -0.948 1.00 12.43 C ATOM 516 CG ARG A 35 -9.235 10.202 -1.931 1.00 74.31 C ATOM 517 CD ARG A 35 -8.799 11.499 -2.580 1.00 21.15 C ATOM 518 NE ARG A 35 -9.813 12.021 -3.504 1.00 35.55 N ATOM 519 CZ ARG A 35 -9.566 12.852 -4.523 1.00 64.12 C ATOM 520 NH1 ARG A 35 -8.320 13.217 -4.811 1.00 2.21 N ATOM 521 NH2 ARG A 35 -10.566 13.304 -5.253 1.00 60.05 N ATOM 0 H ARG A 35 -9.731 9.192 1.231 1.00 33.42 H new ATOM 0 HA ARG A 35 -8.729 7.644 -1.072 1.00 73.32 H new ATOM 0 HB2 ARG A 35 -8.061 10.461 -0.174 1.00 12.43 H new ATOM 0 HB3 ARG A 35 -7.247 9.599 -1.465 1.00 12.43 H new ATOM 0 HG2 ARG A 35 -9.402 9.447 -2.699 1.00 74.31 H new ATOM 0 HG3 ARG A 35 -10.185 10.351 -1.418 1.00 74.31 H new ATOM 0 HD2 ARG A 35 -8.597 12.241 -1.807 1.00 21.15 H new ATOM 0 HD3 ARG A 35 -7.866 11.338 -3.120 1.00 21.15 H new ATOM 0 HE ARG A 35 -10.779 11.728 -3.358 1.00 35.55 H new ATOM 0 HH11 ARG A 35 -7.543 12.863 -4.253 1.00 2.21 H new ATOM 0 HH12 ARG A 35 -8.141 13.851 -5.590 1.00 2.21 H new ATOM 0 HH21 ARG A 35 -11.522 13.020 -5.040 1.00 60.05 H new ATOM 0 HH22 ARG A 35 -10.384 13.938 -6.031 1.00 60.05 H new ATOM 535 N ALA A 36 -7.005 6.714 0.417 1.00 51.04 N ATOM 536 CA ALA A 36 -5.905 6.161 1.153 1.00 42.13 C ATOM 537 C ALA A 36 -5.139 5.210 0.275 1.00 72.41 C ATOM 538 O ALA A 36 -5.714 4.617 -0.654 1.00 4.03 O ATOM 539 CB ALA A 36 -6.410 5.432 2.391 1.00 13.02 C ATOM 0 H ALA A 36 -7.425 6.068 -0.252 1.00 51.04 H new ATOM 0 HA ALA A 36 -5.248 6.971 1.470 1.00 42.13 H new ATOM 0 HB1 ALA A 36 -5.564 5.018 2.940 1.00 13.02 H new ATOM 0 HB2 ALA A 36 -6.950 6.131 3.030 1.00 13.02 H new ATOM 0 HB3 ALA A 36 -7.078 4.625 2.091 1.00 13.02 H new ATOM 545 N VAL A 37 -3.860 5.079 0.516 1.00 51.41 N ATOM 546 CA VAL A 37 -3.094 4.095 -0.168 1.00 3.13 C ATOM 547 C VAL A 37 -3.029 2.900 0.760 1.00 33.30 C ATOM 548 O VAL A 37 -2.456 2.985 1.837 1.00 24.04 O ATOM 549 CB VAL A 37 -1.652 4.564 -0.454 1.00 74.43 C ATOM 550 CG1 VAL A 37 -0.943 3.569 -1.334 1.00 32.22 C ATOM 551 CG2 VAL A 37 -1.615 5.948 -1.066 1.00 45.13 C ATOM 0 H VAL A 37 -3.336 5.646 1.183 1.00 51.41 H new ATOM 0 HA VAL A 37 -3.559 3.876 -1.129 1.00 3.13 H new ATOM 0 HB VAL A 37 -1.130 4.624 0.501 1.00 74.43 H new ATOM 0 HG11 VAL A 37 0.073 3.913 -1.527 1.00 32.22 H new ATOM 0 HG12 VAL A 37 -0.909 2.601 -0.835 1.00 32.22 H new ATOM 0 HG13 VAL A 37 -1.479 3.472 -2.278 1.00 32.22 H new ATOM 0 HG21 VAL A 37 -0.580 6.237 -1.250 1.00 45.13 H new ATOM 0 HG22 VAL A 37 -2.164 5.944 -2.008 1.00 45.13 H new ATOM 0 HG23 VAL A 37 -2.074 6.661 -0.381 1.00 45.13 H new ATOM 561 N ILE A 38 -3.627 1.829 0.377 1.00 14.42 N ATOM 562 CA ILE A 38 -3.646 0.658 1.211 1.00 31.35 C ATOM 563 C ILE A 38 -2.491 -0.249 0.835 1.00 50.51 C ATOM 564 O ILE A 38 -2.457 -0.806 -0.260 1.00 10.42 O ATOM 565 CB ILE A 38 -5.008 -0.093 1.118 1.00 41.41 C ATOM 566 CG1 ILE A 38 -6.152 0.868 1.496 1.00 52.35 C ATOM 567 CG2 ILE A 38 -5.022 -1.324 2.036 1.00 40.44 C ATOM 568 CD1 ILE A 38 -7.536 0.256 1.415 1.00 33.24 C ATOM 0 H ILE A 38 -4.116 1.729 -0.513 1.00 14.42 H new ATOM 0 HA ILE A 38 -3.530 0.969 2.249 1.00 31.35 H new ATOM 0 HB ILE A 38 -5.147 -0.438 0.093 1.00 41.41 H new ATOM 0 HG12 ILE A 38 -5.986 1.229 2.511 1.00 52.35 H new ATOM 0 HG13 ILE A 38 -6.113 1.736 0.838 1.00 52.35 H new ATOM 0 HG21 ILE A 38 -5.984 -1.830 1.952 1.00 40.44 H new ATOM 0 HG22 ILE A 38 -4.226 -2.007 1.741 1.00 40.44 H new ATOM 0 HG23 ILE A 38 -4.866 -1.010 3.068 1.00 40.44 H new ATOM 0 HD11 ILE A 38 -8.280 1.001 1.697 1.00 33.24 H new ATOM 0 HD12 ILE A 38 -7.727 -0.079 0.395 1.00 33.24 H new ATOM 0 HD13 ILE A 38 -7.598 -0.594 2.094 1.00 33.24 H new ATOM 580 N PHE A 39 -1.547 -0.353 1.726 1.00 51.45 N ATOM 581 CA PHE A 39 -0.376 -1.150 1.526 1.00 54.13 C ATOM 582 C PHE A 39 -0.495 -2.430 2.239 1.00 64.21 C ATOM 583 O PHE A 39 -0.864 -2.476 3.412 1.00 41.33 O ATOM 584 CB PHE A 39 0.887 -0.464 2.031 1.00 4.10 C ATOM 585 CG PHE A 39 1.333 0.698 1.235 1.00 23.52 C ATOM 586 CD1 PHE A 39 1.937 0.500 0.019 1.00 25.42 C ATOM 587 CD2 PHE A 39 1.183 1.975 1.702 1.00 41.14 C ATOM 588 CE1 PHE A 39 2.384 1.553 -0.728 1.00 24.20 C ATOM 589 CE2 PHE A 39 1.625 3.039 0.961 1.00 3.21 C ATOM 590 CZ PHE A 39 2.229 2.819 -0.265 1.00 60.23 C ATOM 0 H PHE A 39 -1.572 0.123 2.628 1.00 51.45 H new ATOM 0 HA PHE A 39 -0.297 -1.304 0.450 1.00 54.13 H new ATOM 0 HB2 PHE A 39 0.718 -0.138 3.057 1.00 4.10 H new ATOM 0 HB3 PHE A 39 1.693 -1.197 2.058 1.00 4.10 H new ATOM 0 HD1 PHE A 39 2.061 -0.506 -0.354 1.00 25.42 H new ATOM 0 HD2 PHE A 39 0.714 2.145 2.660 1.00 41.14 H new ATOM 0 HE1 PHE A 39 2.858 1.379 -1.682 1.00 24.20 H new ATOM 0 HE2 PHE A 39 1.503 4.046 1.332 1.00 3.21 H new ATOM 0 HZ PHE A 39 2.577 3.655 -0.853 1.00 60.23 H new ATOM 600 N ILE A 40 -0.194 -3.469 1.567 1.00 71.34 N ATOM 601 CA ILE A 40 -0.143 -4.713 2.213 1.00 1.22 C ATOM 602 C ILE A 40 1.303 -4.950 2.492 1.00 33.24 C ATOM 603 O ILE A 40 2.137 -4.829 1.584 1.00 40.33 O ATOM 604 CB ILE A 40 -0.691 -5.871 1.351 1.00 22.53 C ATOM 605 CG1 ILE A 40 -2.034 -5.482 0.714 1.00 52.41 C ATOM 606 CG2 ILE A 40 -0.869 -7.106 2.236 1.00 35.22 C ATOM 607 CD1 ILE A 40 -3.107 -5.091 1.703 1.00 75.33 C ATOM 0 H ILE A 40 0.021 -3.482 0.570 1.00 71.34 H new ATOM 0 HA ILE A 40 -0.765 -4.689 3.108 1.00 1.22 H new ATOM 0 HB ILE A 40 0.015 -6.088 0.549 1.00 22.53 H new ATOM 0 HG12 ILE A 40 -1.869 -4.651 0.028 1.00 52.41 H new ATOM 0 HG13 ILE A 40 -2.395 -6.320 0.118 1.00 52.41 H new ATOM 0 HG21 ILE A 40 -1.256 -7.930 1.637 1.00 35.22 H new ATOM 0 HG22 ILE A 40 0.093 -7.389 2.664 1.00 35.22 H new ATOM 0 HG23 ILE A 40 -1.571 -6.880 3.039 1.00 35.22 H new ATOM 0 HD11 ILE A 40 -4.020 -4.832 1.166 1.00 75.33 H new ATOM 0 HD12 ILE A 40 -3.305 -5.927 2.374 1.00 75.33 H new ATOM 0 HD13 ILE A 40 -2.771 -4.232 2.283 1.00 75.33 H new ATOM 619 N THR A 41 1.628 -5.213 3.706 1.00 25.11 N ATOM 620 CA THR A 41 2.985 -5.460 4.049 1.00 4.21 C ATOM 621 C THR A 41 3.291 -6.935 3.775 1.00 71.20 C ATOM 622 O THR A 41 2.362 -7.758 3.685 1.00 43.44 O ATOM 623 CB THR A 41 3.286 -5.058 5.533 1.00 41.44 C ATOM 624 OG1 THR A 41 4.671 -5.262 5.847 1.00 23.31 O ATOM 625 CG2 THR A 41 2.428 -5.846 6.504 1.00 73.12 C ATOM 0 H THR A 41 0.970 -5.263 4.484 1.00 25.11 H new ATOM 0 HA THR A 41 3.639 -4.840 3.436 1.00 4.21 H new ATOM 0 HB THR A 41 3.047 -3.999 5.635 1.00 41.44 H new ATOM 0 HG1 THR A 41 5.213 -5.117 5.044 1.00 23.31 H new ATOM 0 HG21 THR A 41 2.662 -5.543 7.525 1.00 73.12 H new ATOM 0 HG22 THR A 41 1.375 -5.651 6.300 1.00 73.12 H new ATOM 0 HG23 THR A 41 2.630 -6.911 6.386 1.00 73.12 H new ATOM 633 N LYS A 42 4.561 -7.275 3.640 1.00 53.40 N ATOM 634 CA LYS A 42 4.965 -8.642 3.342 1.00 41.54 C ATOM 635 C LYS A 42 4.672 -9.594 4.510 1.00 33.23 C ATOM 636 O LYS A 42 4.778 -10.812 4.379 1.00 10.34 O ATOM 637 CB LYS A 42 6.421 -8.699 2.887 1.00 53.02 C ATOM 638 CG LYS A 42 6.665 -7.875 1.627 1.00 65.30 C ATOM 639 CD LYS A 42 8.106 -7.929 1.157 1.00 41.10 C ATOM 640 CE LYS A 42 8.526 -9.337 0.751 1.00 53.32 C ATOM 641 NZ LYS A 42 9.907 -9.367 0.226 1.00 63.30 N ATOM 0 H LYS A 42 5.337 -6.619 3.732 1.00 53.40 H new ATOM 0 HA LYS A 42 4.358 -8.994 2.508 1.00 41.54 H new ATOM 0 HB2 LYS A 42 7.064 -8.334 3.688 1.00 53.02 H new ATOM 0 HB3 LYS A 42 6.701 -9.736 2.701 1.00 53.02 H new ATOM 0 HG2 LYS A 42 6.015 -8.237 0.831 1.00 65.30 H new ATOM 0 HG3 LYS A 42 6.389 -6.838 1.818 1.00 65.30 H new ATOM 0 HD2 LYS A 42 8.236 -7.255 0.311 1.00 41.10 H new ATOM 0 HD3 LYS A 42 8.760 -7.572 1.953 1.00 41.10 H new ATOM 0 HE2 LYS A 42 8.450 -10.002 1.612 1.00 53.32 H new ATOM 0 HE3 LYS A 42 7.841 -9.717 -0.007 1.00 53.32 H new ATOM 0 HZ1 LYS A 42 10.156 -10.341 -0.039 1.00 63.30 H new ATOM 0 HZ2 LYS A 42 9.974 -8.752 -0.610 1.00 63.30 H new ATOM 0 HZ3 LYS A 42 10.564 -9.029 0.958 1.00 63.30 H new ATOM 655 N ARG A 43 4.293 -9.020 5.645 1.00 14.35 N ATOM 656 CA ARG A 43 3.850 -9.788 6.809 1.00 1.43 C ATOM 657 C ARG A 43 2.410 -10.317 6.564 1.00 10.42 C ATOM 658 O ARG A 43 1.888 -11.130 7.319 1.00 23.24 O ATOM 659 CB ARG A 43 3.888 -8.892 8.062 1.00 4.42 C ATOM 660 CG ARG A 43 3.484 -9.588 9.352 1.00 32.14 C ATOM 661 CD ARG A 43 3.509 -8.637 10.525 1.00 41.31 C ATOM 662 NE ARG A 43 3.109 -9.298 11.768 1.00 1.32 N ATOM 663 CZ ARG A 43 3.416 -8.852 12.993 1.00 5.34 C ATOM 664 NH1 ARG A 43 4.094 -7.724 13.147 1.00 40.14 N ATOM 665 NH2 ARG A 43 3.030 -9.523 14.062 1.00 51.21 N ATOM 0 H ARG A 43 4.283 -8.010 5.788 1.00 14.35 H new ATOM 0 HA ARG A 43 4.515 -10.638 6.964 1.00 1.43 H new ATOM 0 HB2 ARG A 43 4.897 -8.496 8.179 1.00 4.42 H new ATOM 0 HB3 ARG A 43 3.228 -8.039 7.903 1.00 4.42 H new ATOM 0 HG2 ARG A 43 2.484 -10.007 9.243 1.00 32.14 H new ATOM 0 HG3 ARG A 43 4.159 -10.422 9.544 1.00 32.14 H new ATOM 0 HD2 ARG A 43 4.512 -8.226 10.638 1.00 41.31 H new ATOM 0 HD3 ARG A 43 2.841 -7.799 10.328 1.00 41.31 H new ATOM 0 HE ARG A 43 2.560 -10.155 11.697 1.00 1.32 H new ATOM 0 HH11 ARG A 43 4.386 -7.189 12.329 1.00 40.14 H new ATOM 0 HH12 ARG A 43 4.324 -7.391 14.083 1.00 40.14 H new ATOM 0 HH21 ARG A 43 2.495 -10.385 13.957 1.00 51.21 H new ATOM 0 HH22 ARG A 43 3.266 -9.179 14.993 1.00 51.21 H new ATOM 679 N GLY A 44 1.783 -9.828 5.503 1.00 33.50 N ATOM 680 CA GLY A 44 0.448 -10.273 5.144 1.00 54.03 C ATOM 681 C GLY A 44 -0.628 -9.430 5.769 1.00 23.23 C ATOM 682 O GLY A 44 -1.802 -9.757 5.695 1.00 35.10 O ATOM 0 H GLY A 44 2.178 -9.125 4.879 1.00 33.50 H new ATOM 0 HA2 GLY A 44 0.340 -10.249 4.060 1.00 54.03 H new ATOM 0 HA3 GLY A 44 0.319 -11.310 5.454 1.00 54.03 H new ATOM 686 N LEU A 45 -0.230 -8.359 6.399 1.00 71.20 N ATOM 687 CA LEU A 45 -1.173 -7.460 7.030 1.00 60.32 C ATOM 688 C LEU A 45 -1.435 -6.286 6.180 1.00 4.15 C ATOM 689 O LEU A 45 -0.609 -5.878 5.357 1.00 31.42 O ATOM 690 CB LEU A 45 -0.741 -7.069 8.425 1.00 41.15 C ATOM 691 CG LEU A 45 -0.610 -8.221 9.418 1.00 51.32 C ATOM 692 CD1 LEU A 45 -0.183 -7.703 10.759 1.00 51.45 C ATOM 693 CD2 LEU A 45 -1.922 -8.978 9.544 1.00 4.11 C ATOM 0 H LEU A 45 0.747 -8.081 6.493 1.00 71.20 H new ATOM 0 HA LEU A 45 -2.114 -7.999 7.142 1.00 60.32 H new ATOM 0 HB2 LEU A 45 0.219 -6.558 8.359 1.00 41.15 H new ATOM 0 HB3 LEU A 45 -1.459 -6.350 8.821 1.00 41.15 H new ATOM 0 HG LEU A 45 0.149 -8.909 9.045 1.00 51.32 H new ATOM 0 HD11 LEU A 45 -0.093 -8.534 11.458 1.00 51.45 H new ATOM 0 HD12 LEU A 45 0.780 -7.202 10.665 1.00 51.45 H new ATOM 0 HD13 LEU A 45 -0.925 -6.996 11.129 1.00 51.45 H new ATOM 0 HD21 LEU A 45 -1.804 -9.794 10.257 1.00 4.11 H new ATOM 0 HD22 LEU A 45 -2.701 -8.300 9.894 1.00 4.11 H new ATOM 0 HD23 LEU A 45 -2.203 -9.383 8.572 1.00 4.11 H new ATOM 705 N LYS A 46 -2.562 -5.753 6.389 1.00 31.35 N ATOM 706 CA LYS A 46 -3.115 -4.781 5.576 1.00 72.34 C ATOM 707 C LYS A 46 -3.116 -3.450 6.300 1.00 73.00 C ATOM 708 O LYS A 46 -3.730 -3.300 7.353 1.00 51.04 O ATOM 709 CB LYS A 46 -4.464 -5.329 5.338 1.00 42.41 C ATOM 710 CG LYS A 46 -5.284 -4.742 4.294 1.00 41.43 C ATOM 711 CD LYS A 46 -6.263 -5.803 3.923 1.00 41.42 C ATOM 712 CE LYS A 46 -7.149 -5.359 2.800 1.00 71.14 C ATOM 713 NZ LYS A 46 -8.032 -6.440 2.318 1.00 63.44 N ATOM 0 H LYS A 46 -3.154 -6.003 7.181 1.00 31.35 H new ATOM 0 HA LYS A 46 -2.585 -4.579 4.645 1.00 72.34 H new ATOM 0 HB2 LYS A 46 -4.354 -6.390 5.114 1.00 42.41 H new ATOM 0 HB3 LYS A 46 -5.019 -5.257 6.273 1.00 42.41 H new ATOM 0 HG2 LYS A 46 -5.791 -3.845 4.649 1.00 41.43 H new ATOM 0 HG3 LYS A 46 -4.679 -4.447 3.437 1.00 41.43 H new ATOM 0 HD2 LYS A 46 -5.729 -6.707 3.632 1.00 41.42 H new ATOM 0 HD3 LYS A 46 -6.872 -6.058 4.790 1.00 41.42 H new ATOM 0 HE2 LYS A 46 -7.757 -4.518 3.132 1.00 71.14 H new ATOM 0 HE3 LYS A 46 -6.533 -5.001 1.975 1.00 71.14 H new ATOM 0 HZ1 LYS A 46 -8.779 -6.036 1.718 1.00 63.44 H new ATOM 0 HZ2 LYS A 46 -7.475 -7.123 1.765 1.00 63.44 H new ATOM 0 HZ3 LYS A 46 -8.464 -6.923 3.131 1.00 63.44 H new ATOM 727 N VAL A 47 -2.411 -2.515 5.729 1.00 54.32 N ATOM 728 CA VAL A 47 -2.175 -1.212 6.312 1.00 53.10 C ATOM 729 C VAL A 47 -2.676 -0.121 5.360 1.00 51.41 C ATOM 730 O VAL A 47 -2.700 -0.315 4.168 1.00 41.34 O ATOM 731 CB VAL A 47 -0.639 -1.004 6.593 1.00 63.23 C ATOM 732 CG1 VAL A 47 -0.347 0.345 7.243 1.00 22.24 C ATOM 733 CG2 VAL A 47 -0.080 -2.138 7.452 1.00 42.11 C ATOM 0 H VAL A 47 -1.969 -2.636 4.818 1.00 54.32 H new ATOM 0 HA VAL A 47 -2.716 -1.149 7.256 1.00 53.10 H new ATOM 0 HB VAL A 47 -0.139 -1.016 5.624 1.00 63.23 H new ATOM 0 HG11 VAL A 47 0.725 0.441 7.417 1.00 22.24 H new ATOM 0 HG12 VAL A 47 -0.681 1.146 6.584 1.00 22.24 H new ATOM 0 HG13 VAL A 47 -0.876 0.413 8.194 1.00 22.24 H new ATOM 0 HG21 VAL A 47 0.982 -1.969 7.631 1.00 42.11 H new ATOM 0 HG22 VAL A 47 -0.608 -2.167 8.405 1.00 42.11 H new ATOM 0 HG23 VAL A 47 -0.214 -3.087 6.934 1.00 42.11 H new ATOM 743 N CYS A 48 -3.081 0.998 5.887 1.00 13.01 N ATOM 744 CA CYS A 48 -3.520 2.095 5.058 1.00 31.12 C ATOM 745 C CYS A 48 -2.621 3.244 5.364 1.00 24.51 C ATOM 746 O CYS A 48 -2.345 3.504 6.506 1.00 2.23 O ATOM 747 CB CYS A 48 -4.940 2.511 5.404 1.00 64.13 C ATOM 748 SG CYS A 48 -6.187 1.204 5.311 1.00 14.01 S ATOM 0 H CYS A 48 -3.118 1.180 6.890 1.00 13.01 H new ATOM 0 HA CYS A 48 -3.492 1.799 4.009 1.00 31.12 H new ATOM 0 HB2 CYS A 48 -4.943 2.919 6.415 1.00 64.13 H new ATOM 0 HB3 CYS A 48 -5.236 3.318 4.734 1.00 64.13 H new ATOM 753 N ALA A 49 -2.152 3.899 4.365 1.00 35.23 N ATOM 754 CA ALA A 49 -1.209 4.963 4.524 1.00 71.42 C ATOM 755 C ALA A 49 -1.693 6.212 3.815 1.00 25.04 C ATOM 756 O ALA A 49 -2.466 6.124 2.838 1.00 33.20 O ATOM 757 CB ALA A 49 0.134 4.527 3.991 1.00 0.31 C ATOM 0 H ALA A 49 -2.412 3.714 3.396 1.00 35.23 H new ATOM 0 HA ALA A 49 -1.108 5.200 5.583 1.00 71.42 H new ATOM 0 HB1 ALA A 49 0.854 5.337 4.111 1.00 0.31 H new ATOM 0 HB2 ALA A 49 0.477 3.651 4.542 1.00 0.31 H new ATOM 0 HB3 ALA A 49 0.042 4.277 2.934 1.00 0.31 H new ATOM 763 N ASP A 50 -1.266 7.359 4.306 1.00 45.22 N ATOM 764 CA ASP A 50 -1.679 8.647 3.750 1.00 10.35 C ATOM 765 C ASP A 50 -0.973 8.918 2.428 1.00 4.31 C ATOM 766 O ASP A 50 0.249 9.004 2.377 1.00 33.12 O ATOM 767 CB ASP A 50 -1.375 9.784 4.727 1.00 55.21 C ATOM 768 CG ASP A 50 -1.705 11.138 4.148 1.00 5.23 C ATOM 769 OD1 ASP A 50 -2.859 11.604 4.281 1.00 60.43 O ATOM 770 OD2 ASP A 50 -0.820 11.760 3.555 1.00 65.34 O ATOM 0 H ASP A 50 -0.626 7.432 5.097 1.00 45.22 H new ATOM 0 HA ASP A 50 -2.754 8.601 3.578 1.00 10.35 H new ATOM 0 HB2 ASP A 50 -1.945 9.634 5.644 1.00 55.21 H new ATOM 0 HB3 ASP A 50 -0.320 9.755 4.999 1.00 55.21 H new ATOM 775 N PRO A 51 -1.752 9.059 1.344 1.00 64.43 N ATOM 776 CA PRO A 51 -1.222 9.250 -0.014 1.00 63.54 C ATOM 777 C PRO A 51 -0.253 10.435 -0.187 1.00 14.31 C ATOM 778 O PRO A 51 0.659 10.350 -1.010 1.00 65.34 O ATOM 779 CB PRO A 51 -2.472 9.478 -0.872 1.00 62.53 C ATOM 780 CG PRO A 51 -3.608 8.920 -0.091 1.00 54.54 C ATOM 781 CD PRO A 51 -3.232 9.024 1.356 1.00 44.52 C ATOM 0 HA PRO A 51 -0.621 8.384 -0.291 1.00 63.54 H new ATOM 0 HB2 PRO A 51 -2.620 10.539 -1.073 1.00 62.53 H new ATOM 0 HB3 PRO A 51 -2.380 8.980 -1.837 1.00 62.53 H new ATOM 0 HG2 PRO A 51 -4.525 9.474 -0.293 1.00 54.54 H new ATOM 0 HG3 PRO A 51 -3.795 7.883 -0.368 1.00 54.54 H new ATOM 0 HD2 PRO A 51 -3.648 9.922 1.812 1.00 44.52 H new ATOM 0 HD3 PRO A 51 -3.606 8.174 1.927 1.00 44.52 H new ATOM 789 N GLN A 52 -0.415 11.517 0.584 1.00 62.32 N ATOM 790 CA GLN A 52 0.412 12.700 0.351 1.00 30.53 C ATOM 791 C GLN A 52 1.680 12.682 1.175 1.00 24.20 C ATOM 792 O GLN A 52 2.523 13.579 1.050 1.00 21.42 O ATOM 793 CB GLN A 52 -0.363 14.025 0.510 1.00 41.21 C ATOM 794 CG GLN A 52 -0.955 14.269 1.879 1.00 51.03 C ATOM 795 CD GLN A 52 -1.754 15.553 1.944 1.00 1.54 C ATOM 796 OE1 GLN A 52 -2.331 15.999 0.950 1.00 24.20 O ATOM 797 NE2 GLN A 52 -1.794 16.154 3.093 1.00 13.21 N ATOM 0 H GLN A 52 -1.087 11.596 1.348 1.00 62.32 H new ATOM 0 HA GLN A 52 0.710 12.651 -0.696 1.00 30.53 H new ATOM 0 HB2 GLN A 52 0.308 14.850 0.271 1.00 41.21 H new ATOM 0 HB3 GLN A 52 -1.168 14.046 -0.224 1.00 41.21 H new ATOM 0 HG2 GLN A 52 -1.598 13.431 2.148 1.00 51.03 H new ATOM 0 HG3 GLN A 52 -0.153 14.306 2.617 1.00 51.03 H new ATOM 0 HE21 GLN A 52 -1.304 15.756 3.894 1.00 13.21 H new ATOM 0 HE22 GLN A 52 -2.315 17.025 3.195 1.00 13.21 H new ATOM 806 N ALA A 53 1.824 11.673 2.015 1.00 0.44 N ATOM 807 CA ALA A 53 3.048 11.489 2.753 1.00 44.40 C ATOM 808 C ALA A 53 4.161 11.168 1.774 1.00 11.13 C ATOM 809 O ALA A 53 4.005 10.299 0.912 1.00 0.41 O ATOM 810 CB ALA A 53 2.895 10.384 3.787 1.00 1.45 C ATOM 0 H ALA A 53 1.106 10.972 2.199 1.00 0.44 H new ATOM 0 HA ALA A 53 3.292 12.404 3.293 1.00 44.40 H new ATOM 0 HB1 ALA A 53 3.831 10.263 4.332 1.00 1.45 H new ATOM 0 HB2 ALA A 53 2.100 10.647 4.485 1.00 1.45 H new ATOM 0 HB3 ALA A 53 2.643 9.449 3.286 1.00 1.45 H new ATOM 816 N THR A 54 5.268 11.868 1.901 1.00 30.31 N ATOM 817 CA THR A 54 6.385 11.740 0.992 1.00 30.01 C ATOM 818 C THR A 54 6.928 10.310 0.970 1.00 71.02 C ATOM 819 O THR A 54 7.350 9.808 -0.081 1.00 73.33 O ATOM 820 CB THR A 54 7.512 12.717 1.377 1.00 15.14 C ATOM 821 OG1 THR A 54 6.986 14.062 1.424 1.00 73.41 O ATOM 822 CG2 THR A 54 8.643 12.661 0.362 1.00 54.01 C ATOM 0 H THR A 54 5.418 12.548 2.646 1.00 30.31 H new ATOM 0 HA THR A 54 6.022 11.985 -0.006 1.00 30.01 H new ATOM 0 HB THR A 54 7.901 12.430 2.354 1.00 15.14 H new ATOM 0 HG1 THR A 54 7.702 14.685 1.671 1.00 73.41 H new ATOM 0 HG21 THR A 54 9.428 13.359 0.653 1.00 54.01 H new ATOM 0 HG22 THR A 54 9.050 11.651 0.326 1.00 54.01 H new ATOM 0 HG23 THR A 54 8.262 12.934 -0.622 1.00 54.01 H new ATOM 830 N TRP A 55 6.877 9.637 2.105 1.00 34.33 N ATOM 831 CA TRP A 55 7.401 8.279 2.151 1.00 63.33 C ATOM 832 C TRP A 55 6.462 7.344 1.395 1.00 22.32 C ATOM 833 O TRP A 55 6.894 6.400 0.733 1.00 62.41 O ATOM 834 CB TRP A 55 7.633 7.790 3.583 1.00 21.20 C ATOM 835 CG TRP A 55 6.401 7.508 4.367 1.00 74.35 C ATOM 836 CD1 TRP A 55 5.663 8.381 5.063 1.00 74.14 C ATOM 837 CD2 TRP A 55 5.781 6.245 4.531 1.00 21.24 C ATOM 838 NE1 TRP A 55 4.624 7.752 5.671 1.00 1.34 N ATOM 839 CE2 TRP A 55 4.672 6.433 5.350 1.00 20.32 C ATOM 840 CE3 TRP A 55 6.063 4.974 4.060 1.00 43.12 C ATOM 841 CZ2 TRP A 55 3.846 5.412 5.713 1.00 32.24 C ATOM 842 CZ3 TRP A 55 5.232 3.937 4.417 1.00 42.43 C ATOM 843 CH2 TRP A 55 4.128 4.162 5.242 1.00 31.51 C ATOM 0 H TRP A 55 6.493 9.990 2.981 1.00 34.33 H new ATOM 0 HA TRP A 55 8.378 8.279 1.667 1.00 63.33 H new ATOM 0 HB2 TRP A 55 8.236 6.883 3.546 1.00 21.20 H new ATOM 0 HB3 TRP A 55 8.218 8.540 4.115 1.00 21.20 H new ATOM 0 HD1 TRP A 55 5.866 9.440 5.132 1.00 74.14 H new ATOM 0 HE1 TRP A 55 3.926 8.195 6.268 1.00 1.34 H new ATOM 0 HE3 TRP A 55 6.919 4.800 3.425 1.00 43.12 H new ATOM 0 HZ2 TRP A 55 2.994 5.586 6.354 1.00 32.24 H new ATOM 0 HZ3 TRP A 55 5.435 2.940 4.056 1.00 42.43 H new ATOM 0 HH2 TRP A 55 3.488 3.335 5.511 1.00 31.51 H new ATOM 854 N VAL A 56 5.167 7.644 1.482 1.00 22.13 N ATOM 855 CA VAL A 56 4.164 6.897 0.772 1.00 72.03 C ATOM 856 C VAL A 56 4.330 7.130 -0.689 1.00 12.43 C ATOM 857 O VAL A 56 4.297 6.194 -1.457 1.00 4.11 O ATOM 858 CB VAL A 56 2.725 7.252 1.224 1.00 72.41 C ATOM 859 CG1 VAL A 56 1.683 6.594 0.331 1.00 74.31 C ATOM 860 CG2 VAL A 56 2.516 6.827 2.656 1.00 4.40 C ATOM 0 H VAL A 56 4.799 8.409 2.047 1.00 22.13 H new ATOM 0 HA VAL A 56 4.304 5.840 1.001 1.00 72.03 H new ATOM 0 HB VAL A 56 2.604 8.332 1.143 1.00 72.41 H new ATOM 0 HG11 VAL A 56 0.685 6.864 0.676 1.00 74.31 H new ATOM 0 HG12 VAL A 56 1.816 6.935 -0.696 1.00 74.31 H new ATOM 0 HG13 VAL A 56 1.800 5.511 0.372 1.00 74.31 H new ATOM 0 HG21 VAL A 56 1.502 7.080 2.966 1.00 4.40 H new ATOM 0 HG22 VAL A 56 2.664 5.750 2.741 1.00 4.40 H new ATOM 0 HG23 VAL A 56 3.231 7.343 3.297 1.00 4.40 H new ATOM 870 N ARG A 57 4.543 8.392 -1.059 1.00 12.45 N ATOM 871 CA ARG A 57 4.822 8.759 -2.438 1.00 54.12 C ATOM 872 C ARG A 57 5.951 7.903 -2.974 1.00 74.24 C ATOM 873 O ARG A 57 5.818 7.288 -4.006 1.00 65.40 O ATOM 874 CB ARG A 57 5.234 10.225 -2.538 1.00 41.42 C ATOM 875 CG ARG A 57 4.158 11.268 -2.256 1.00 11.20 C ATOM 876 CD ARG A 57 3.095 11.325 -3.351 1.00 1.54 C ATOM 877 NE ARG A 57 2.143 10.207 -3.336 1.00 25.34 N ATOM 878 CZ ARG A 57 1.467 9.770 -4.412 1.00 40.24 C ATOM 879 NH1 ARG A 57 1.827 10.154 -5.630 1.00 20.41 N ATOM 880 NH2 ARG A 57 0.457 8.916 -4.267 1.00 71.03 N ATOM 0 H ARG A 57 4.526 9.181 -0.413 1.00 12.45 H new ATOM 0 HA ARG A 57 3.915 8.601 -3.021 1.00 54.12 H new ATOM 0 HB2 ARG A 57 6.058 10.393 -1.845 1.00 41.42 H new ATOM 0 HB3 ARG A 57 5.621 10.400 -3.542 1.00 41.42 H new ATOM 0 HG2 ARG A 57 3.680 11.043 -1.302 1.00 11.20 H new ATOM 0 HG3 ARG A 57 4.624 12.248 -2.156 1.00 11.20 H new ATOM 0 HD2 ARG A 57 2.541 12.259 -3.253 1.00 1.54 H new ATOM 0 HD3 ARG A 57 3.592 11.349 -4.321 1.00 1.54 H new ATOM 0 HE ARG A 57 1.984 9.730 -2.449 1.00 25.34 H new ATOM 0 HH11 ARG A 57 2.620 10.784 -5.753 1.00 20.41 H new ATOM 0 HH12 ARG A 57 1.311 9.820 -6.444 1.00 20.41 H new ATOM 0 HH21 ARG A 57 0.194 8.591 -3.337 1.00 71.03 H new ATOM 0 HH22 ARG A 57 -0.054 8.586 -5.086 1.00 71.03 H new ATOM 894 N ASP A 58 7.047 7.847 -2.228 1.00 2.41 N ATOM 895 CA ASP A 58 8.215 7.072 -2.639 1.00 13.43 C ATOM 896 C ASP A 58 7.944 5.562 -2.703 1.00 62.12 C ATOM 897 O ASP A 58 8.310 4.908 -3.677 1.00 3.13 O ATOM 898 CB ASP A 58 9.437 7.366 -1.773 1.00 4.20 C ATOM 899 CG ASP A 58 10.657 6.578 -2.230 1.00 21.21 C ATOM 900 OD1 ASP A 58 11.182 6.857 -3.328 1.00 11.30 O ATOM 901 OD2 ASP A 58 11.100 5.657 -1.511 1.00 43.13 O ATOM 0 H ASP A 58 7.153 8.328 -1.335 1.00 2.41 H new ATOM 0 HA ASP A 58 8.436 7.400 -3.655 1.00 13.43 H new ATOM 0 HB2 ASP A 58 9.659 8.433 -1.808 1.00 4.20 H new ATOM 0 HB3 ASP A 58 9.214 7.121 -0.735 1.00 4.20 H new ATOM 906 N CYS A 59 7.287 5.003 -1.711 1.00 20.41 N ATOM 907 CA CYS A 59 7.023 3.567 -1.758 1.00 43.30 C ATOM 908 C CYS A 59 5.986 3.215 -2.794 1.00 62.24 C ATOM 909 O CYS A 59 6.132 2.217 -3.522 1.00 4.52 O ATOM 910 CB CYS A 59 6.603 3.001 -0.435 1.00 71.22 C ATOM 911 SG CYS A 59 7.860 3.071 0.893 1.00 71.33 S ATOM 0 H CYS A 59 6.934 5.491 -0.888 1.00 20.41 H new ATOM 0 HA CYS A 59 7.977 3.117 -2.034 1.00 43.30 H new ATOM 0 HB2 CYS A 59 5.715 3.535 -0.098 1.00 71.22 H new ATOM 0 HB3 CYS A 59 6.313 1.960 -0.581 1.00 71.22 H new ATOM 916 N VAL A 60 4.951 4.038 -2.895 1.00 71.12 N ATOM 917 CA VAL A 60 3.883 3.793 -3.826 1.00 31.22 C ATOM 918 C VAL A 60 4.450 3.929 -5.251 1.00 74.12 C ATOM 919 O VAL A 60 3.994 3.279 -6.174 1.00 74.50 O ATOM 920 CB VAL A 60 2.655 4.768 -3.599 1.00 10.42 C ATOM 921 CG1 VAL A 60 2.862 6.126 -4.215 1.00 61.04 C ATOM 922 CG2 VAL A 60 1.365 4.177 -4.079 1.00 5.34 C ATOM 0 H VAL A 60 4.838 4.883 -2.335 1.00 71.12 H new ATOM 0 HA VAL A 60 3.496 2.786 -3.671 1.00 31.22 H new ATOM 0 HB VAL A 60 2.591 4.901 -2.519 1.00 10.42 H new ATOM 0 HG11 VAL A 60 1.987 6.748 -4.026 1.00 61.04 H new ATOM 0 HG12 VAL A 60 3.743 6.594 -3.775 1.00 61.04 H new ATOM 0 HG13 VAL A 60 3.006 6.020 -5.290 1.00 61.04 H new ATOM 0 HG21 VAL A 60 0.553 4.883 -3.902 1.00 5.34 H new ATOM 0 HG22 VAL A 60 1.436 3.966 -5.146 1.00 5.34 H new ATOM 0 HG23 VAL A 60 1.166 3.251 -3.539 1.00 5.34 H new ATOM 932 N ARG A 61 5.511 4.737 -5.396 1.00 34.42 N ATOM 933 CA ARG A 61 6.104 4.936 -6.722 1.00 55.15 C ATOM 934 C ARG A 61 7.079 3.851 -7.048 1.00 31.05 C ATOM 935 O ARG A 61 7.270 3.496 -8.210 1.00 72.41 O ATOM 936 CB ARG A 61 6.687 6.352 -6.960 1.00 52.40 C ATOM 937 CG ARG A 61 7.861 6.820 -6.106 1.00 21.13 C ATOM 938 CD ARG A 61 9.183 6.121 -6.411 1.00 23.20 C ATOM 939 NE ARG A 61 9.585 6.289 -7.803 1.00 75.45 N ATOM 940 CZ ARG A 61 10.582 5.627 -8.398 1.00 54.12 C ATOM 941 NH1 ARG A 61 11.329 4.767 -7.709 1.00 1.24 N ATOM 942 NH2 ARG A 61 10.838 5.841 -9.676 1.00 3.40 N ATOM 0 H ARG A 61 5.963 5.247 -4.637 1.00 34.42 H new ATOM 0 HA ARG A 61 5.277 4.867 -7.428 1.00 55.15 H new ATOM 0 HB2 ARG A 61 6.995 6.410 -8.004 1.00 52.40 H new ATOM 0 HB3 ARG A 61 5.877 7.069 -6.827 1.00 52.40 H new ATOM 0 HG2 ARG A 61 7.991 7.893 -6.246 1.00 21.13 H new ATOM 0 HG3 ARG A 61 7.615 6.663 -5.056 1.00 21.13 H new ATOM 0 HD2 ARG A 61 9.961 6.518 -5.759 1.00 23.20 H new ATOM 0 HD3 ARG A 61 9.091 5.058 -6.187 1.00 23.20 H new ATOM 0 HE ARG A 61 9.066 6.963 -8.365 1.00 75.45 H new ATOM 0 HH11 ARG A 61 11.142 4.609 -6.719 1.00 1.24 H new ATOM 0 HH12 ARG A 61 12.088 4.266 -8.171 1.00 1.24 H new ATOM 0 HH21 ARG A 61 10.276 6.509 -10.204 1.00 3.40 H new ATOM 0 HH22 ARG A 61 11.598 5.339 -10.135 1.00 3.40 H new ATOM 956 N SER A 62 7.698 3.324 -6.013 1.00 11.33 N ATOM 957 CA SER A 62 8.610 2.230 -6.140 1.00 24.54 C ATOM 958 C SER A 62 7.862 1.037 -6.683 1.00 3.23 C ATOM 959 O SER A 62 8.285 0.413 -7.647 1.00 74.52 O ATOM 960 CB SER A 62 9.226 1.900 -4.773 1.00 53.30 C ATOM 961 OG SER A 62 10.136 0.810 -4.860 1.00 23.22 O ATOM 0 H SER A 62 7.575 3.653 -5.055 1.00 11.33 H new ATOM 0 HA SER A 62 9.417 2.495 -6.823 1.00 24.54 H new ATOM 0 HB2 SER A 62 9.744 2.777 -4.385 1.00 53.30 H new ATOM 0 HB3 SER A 62 8.434 1.658 -4.065 1.00 53.30 H new ATOM 0 HG SER A 62 10.512 0.626 -3.974 1.00 23.22 H new ATOM 967 N MET A 63 6.709 0.771 -6.102 1.00 4.50 N ATOM 968 CA MET A 63 5.912 -0.365 -6.514 1.00 62.32 C ATOM 969 C MET A 63 5.287 -0.121 -7.861 1.00 2.32 C ATOM 970 O MET A 63 5.076 -1.053 -8.628 1.00 71.14 O ATOM 971 CB MET A 63 4.874 -0.747 -5.473 1.00 70.15 C ATOM 972 CG MET A 63 5.481 -1.159 -4.147 1.00 4.41 C ATOM 973 SD MET A 63 6.691 -2.502 -4.311 1.00 21.34 S ATOM 974 CE MET A 63 5.680 -3.813 -5.007 1.00 73.43 C ATOM 0 H MET A 63 6.305 1.324 -5.346 1.00 4.50 H new ATOM 0 HA MET A 63 6.584 -1.218 -6.606 1.00 62.32 H new ATOM 0 HB2 MET A 63 4.203 0.097 -5.311 1.00 70.15 H new ATOM 0 HB3 MET A 63 4.268 -1.567 -5.858 1.00 70.15 H new ATOM 0 HG2 MET A 63 5.964 -0.295 -3.690 1.00 4.41 H new ATOM 0 HG3 MET A 63 4.686 -1.474 -3.471 1.00 4.41 H new ATOM 0 HE1 MET A 63 6.118 -4.780 -4.760 1.00 73.43 H new ATOM 0 HE2 MET A 63 4.673 -3.754 -4.594 1.00 73.43 H new ATOM 0 HE3 MET A 63 5.635 -3.701 -6.090 1.00 73.43 H new ATOM 984 N ASP A 64 5.002 1.142 -8.145 1.00 53.24 N ATOM 985 CA ASP A 64 4.501 1.563 -9.451 1.00 41.33 C ATOM 986 C ASP A 64 5.526 1.265 -10.532 1.00 34.55 C ATOM 987 O ASP A 64 5.183 0.900 -11.641 1.00 73.32 O ATOM 988 CB ASP A 64 4.178 3.053 -9.444 1.00 51.32 C ATOM 989 CG ASP A 64 3.797 3.577 -10.809 1.00 62.52 C ATOM 990 OD1 ASP A 64 2.631 3.399 -11.220 1.00 31.34 O ATOM 991 OD2 ASP A 64 4.663 4.166 -11.490 1.00 61.41 O ATOM 0 H ASP A 64 5.111 1.906 -7.478 1.00 53.24 H new ATOM 0 HA ASP A 64 3.589 1.005 -9.663 1.00 41.33 H new ATOM 0 HB2 ASP A 64 3.361 3.239 -8.747 1.00 51.32 H new ATOM 0 HB3 ASP A 64 5.043 3.606 -9.076 1.00 51.32 H new ATOM 996 N ARG A 65 6.785 1.435 -10.189 1.00 62.53 N ATOM 997 CA ARG A 65 7.874 1.140 -11.095 1.00 1.54 C ATOM 998 C ARG A 65 8.104 -0.385 -11.188 1.00 43.42 C ATOM 999 O ARG A 65 8.399 -0.912 -12.268 1.00 11.40 O ATOM 1000 CB ARG A 65 9.147 1.953 -10.678 1.00 34.21 C ATOM 1001 CG ARG A 65 10.419 1.744 -11.524 1.00 53.31 C ATOM 1002 CD ARG A 65 11.121 0.436 -11.192 1.00 14.45 C ATOM 1003 NE ARG A 65 12.277 0.182 -12.037 1.00 64.15 N ATOM 1004 CZ ARG A 65 13.295 -0.609 -11.706 1.00 22.25 C ATOM 1005 NH1 ARG A 65 13.398 -1.095 -10.459 1.00 53.15 N ATOM 1006 NH2 ARG A 65 14.227 -0.877 -12.603 1.00 44.30 N ATOM 0 H ARG A 65 7.082 1.781 -9.276 1.00 62.53 H new ATOM 0 HA ARG A 65 7.621 1.461 -12.105 1.00 1.54 H new ATOM 0 HB2 ARG A 65 8.895 3.013 -10.702 1.00 34.21 H new ATOM 0 HB3 ARG A 65 9.384 1.705 -9.643 1.00 34.21 H new ATOM 0 HG2 ARG A 65 10.156 1.755 -12.582 1.00 53.31 H new ATOM 0 HG3 ARG A 65 11.105 2.575 -11.358 1.00 53.31 H new ATOM 0 HD2 ARG A 65 11.437 0.454 -10.149 1.00 14.45 H new ATOM 0 HD3 ARG A 65 10.414 -0.387 -11.297 1.00 14.45 H new ATOM 0 HE ARG A 65 12.310 0.642 -12.947 1.00 64.15 H new ATOM 0 HH11 ARG A 65 12.694 -0.859 -9.760 1.00 53.15 H new ATOM 0 HH12 ARG A 65 14.180 -1.701 -10.211 1.00 53.15 H new ATOM 0 HH21 ARG A 65 14.163 -0.479 -13.540 1.00 44.30 H new ATOM 0 HH22 ARG A 65 15.011 -1.482 -12.359 1.00 44.30 H new ATOM 1020 N LYS A 66 7.976 -1.081 -10.053 1.00 11.05 N ATOM 1021 CA LYS A 66 8.130 -2.548 -9.998 1.00 24.44 C ATOM 1022 C LYS A 66 7.045 -3.228 -10.832 1.00 41.33 C ATOM 1023 O LYS A 66 7.334 -4.004 -11.748 1.00 53.03 O ATOM 1024 CB LYS A 66 8.039 -3.044 -8.544 1.00 1.44 C ATOM 1025 CG LYS A 66 9.121 -2.500 -7.614 1.00 71.43 C ATOM 1026 CD LYS A 66 10.518 -2.969 -7.999 1.00 2.15 C ATOM 1027 CE LYS A 66 10.655 -4.470 -7.837 1.00 34.24 C ATOM 1028 NZ LYS A 66 12.007 -4.948 -8.178 1.00 62.14 N ATOM 0 H LYS A 66 7.765 -0.653 -9.152 1.00 11.05 H new ATOM 0 HA LYS A 66 9.109 -2.802 -10.404 1.00 24.44 H new ATOM 0 HB2 LYS A 66 7.063 -2.771 -8.142 1.00 1.44 H new ATOM 0 HB3 LYS A 66 8.092 -4.133 -8.542 1.00 1.44 H new ATOM 0 HG2 LYS A 66 9.092 -1.410 -7.627 1.00 71.43 H new ATOM 0 HG3 LYS A 66 8.906 -2.812 -6.592 1.00 71.43 H new ATOM 0 HD2 LYS A 66 10.726 -2.691 -9.032 1.00 2.15 H new ATOM 0 HD3 LYS A 66 11.258 -2.464 -7.378 1.00 2.15 H new ATOM 0 HE2 LYS A 66 10.424 -4.745 -6.808 1.00 34.24 H new ATOM 0 HE3 LYS A 66 9.924 -4.970 -8.472 1.00 34.24 H new ATOM 0 HZ1 LYS A 66 12.053 -5.979 -8.052 1.00 62.14 H new ATOM 0 HZ2 LYS A 66 12.220 -4.710 -9.168 1.00 62.14 H new ATOM 0 HZ3 LYS A 66 12.704 -4.492 -7.555 1.00 62.14 H new ATOM 1042 N SER A 67 5.818 -2.921 -10.522 1.00 64.20 N ATOM 1043 CA SER A 67 4.695 -3.414 -11.254 1.00 22.31 C ATOM 1044 C SER A 67 4.173 -2.223 -12.039 1.00 34.03 C ATOM 1045 O SER A 67 3.374 -1.414 -11.535 1.00 41.40 O ATOM 1046 CB SER A 67 3.631 -3.982 -10.284 1.00 33.25 C ATOM 1047 OG SER A 67 2.559 -4.614 -10.971 1.00 61.02 O ATOM 0 H SER A 67 5.570 -2.312 -9.742 1.00 64.20 H new ATOM 0 HA SER A 67 4.958 -4.233 -11.923 1.00 22.31 H new ATOM 0 HB2 SER A 67 4.102 -4.699 -9.611 1.00 33.25 H new ATOM 0 HB3 SER A 67 3.238 -3.175 -9.666 1.00 33.25 H new ATOM 0 HG SER A 67 1.912 -4.959 -10.321 1.00 61.02 H new ATOM 1053 N ASN A 68 4.696 -2.071 -13.236 1.00 5.11 N ATOM 1054 CA ASN A 68 4.475 -0.878 -14.003 1.00 0.01 C ATOM 1055 C ASN A 68 3.485 -1.065 -15.128 1.00 11.42 C ATOM 1056 O ASN A 68 3.740 -1.796 -16.107 1.00 32.24 O ATOM 1057 CB ASN A 68 5.806 -0.351 -14.553 1.00 31.31 C ATOM 1058 CG ASN A 68 5.691 0.990 -15.266 1.00 12.14 C ATOM 1059 OD1 ASN A 68 4.837 1.867 -14.779 1.00 22.14 O flip ATOM 1060 ND2 ASN A 68 6.408 1.250 -16.217 1.00 30.51 N flip ATOM 0 H ASN A 68 5.281 -2.768 -13.697 1.00 5.11 H new ATOM 0 HA ASN A 68 4.037 -0.147 -13.323 1.00 0.01 H new ATOM 0 HB2 ASN A 68 6.515 -0.255 -13.731 1.00 31.31 H new ATOM 0 HB3 ASN A 68 6.218 -1.085 -15.245 1.00 31.31 H new ATOM 0 HD21 ASN A 68 7.059 0.549 -16.571 1.00 30.51 H new ATOM 0 HD22 ASN A 68 6.357 2.168 -16.658 1.00 30.51 H new ATOM 1067 N THR A 69 2.378 -0.407 -14.985 1.00 24.43 N ATOM 1068 CA THR A 69 1.377 -0.318 -15.978 1.00 60.33 C ATOM 1069 C THR A 69 0.795 1.078 -15.839 1.00 31.40 C ATOM 1070 O THR A 69 0.867 1.665 -14.744 1.00 23.21 O ATOM 1071 CB THR A 69 0.298 -1.416 -15.805 1.00 0.33 C ATOM 1072 OG1 THR A 69 -0.630 -1.405 -16.905 1.00 64.21 O ATOM 1073 CG2 THR A 69 -0.441 -1.241 -14.516 1.00 63.14 C ATOM 0 H THR A 69 2.146 0.102 -14.132 1.00 24.43 H new ATOM 0 HA THR A 69 1.786 -0.480 -16.975 1.00 60.33 H new ATOM 0 HB THR A 69 0.809 -2.379 -15.788 1.00 0.33 H new ATOM 0 HG1 THR A 69 -1.300 -2.108 -16.774 1.00 64.21 H new ATOM 0 HG21 THR A 69 -1.193 -2.024 -14.418 1.00 63.14 H new ATOM 0 HG22 THR A 69 0.260 -1.305 -13.683 1.00 63.14 H new ATOM 0 HG23 THR A 69 -0.929 -0.266 -14.506 1.00 63.14 H new ATOM 1081 N ARG A 70 0.287 1.653 -16.882 1.00 60.13 N ATOM 1082 CA ARG A 70 -0.208 2.986 -16.748 1.00 11.12 C ATOM 1083 C ARG A 70 -1.518 3.175 -17.430 1.00 23.22 C ATOM 1084 O ARG A 70 -1.702 2.788 -18.583 1.00 72.00 O ATOM 1085 CB ARG A 70 0.821 4.039 -17.200 1.00 74.50 C ATOM 1086 CG ARG A 70 1.243 3.971 -18.661 1.00 42.05 C ATOM 1087 CD ARG A 70 2.261 5.050 -18.960 1.00 63.12 C ATOM 1088 NE ARG A 70 2.676 5.073 -20.363 1.00 54.12 N ATOM 1089 CZ ARG A 70 3.694 5.795 -20.837 1.00 43.45 C ATOM 1090 NH1 ARG A 70 4.427 6.544 -20.013 1.00 24.45 N ATOM 1091 NH2 ARG A 70 3.975 5.769 -22.134 1.00 25.40 N ATOM 0 H ARG A 70 0.205 1.237 -17.810 1.00 60.13 H new ATOM 0 HA ARG A 70 -0.378 3.141 -15.683 1.00 11.12 H new ATOM 0 HB2 ARG A 70 0.408 5.029 -17.007 1.00 74.50 H new ATOM 0 HB3 ARG A 70 1.711 3.939 -16.579 1.00 74.50 H new ATOM 0 HG2 ARG A 70 1.666 2.991 -18.880 1.00 42.05 H new ATOM 0 HG3 ARG A 70 0.372 4.093 -19.305 1.00 42.05 H new ATOM 0 HD2 ARG A 70 1.842 6.021 -18.695 1.00 63.12 H new ATOM 0 HD3 ARG A 70 3.138 4.899 -18.330 1.00 63.12 H new ATOM 0 HE ARG A 70 2.152 4.499 -21.023 1.00 54.12 H new ATOM 0 HH11 ARG A 70 4.211 6.567 -19.016 1.00 24.45 H new ATOM 0 HH12 ARG A 70 5.204 7.094 -20.379 1.00 24.45 H new ATOM 0 HH21 ARG A 70 3.414 5.198 -22.766 1.00 25.40 H new ATOM 0 HH22 ARG A 70 4.752 6.320 -22.499 1.00 25.40 H new ATOM 1105 N ASN A 71 -2.433 3.734 -16.708 1.00 54.43 N ATOM 1106 CA ASN A 71 -3.708 4.089 -17.235 1.00 1.12 C ATOM 1107 C ASN A 71 -3.573 5.437 -17.881 1.00 54.52 C ATOM 1108 O ASN A 71 -3.271 6.423 -17.196 1.00 33.42 O ATOM 1109 CB ASN A 71 -4.758 4.135 -16.114 1.00 62.21 C ATOM 1110 CG ASN A 71 -6.141 4.533 -16.602 1.00 51.44 C ATOM 1111 OD1 ASN A 71 -6.933 3.685 -17.013 1.00 41.21 O ATOM 1112 ND2 ASN A 71 -6.457 5.807 -16.538 1.00 31.53 N ATOM 0 H ASN A 71 -2.313 3.960 -15.721 1.00 54.43 H new ATOM 0 HA ASN A 71 -4.037 3.349 -17.964 1.00 1.12 H new ATOM 0 HB2 ASN A 71 -4.816 3.155 -15.639 1.00 62.21 H new ATOM 0 HB3 ASN A 71 -4.433 4.841 -15.350 1.00 62.21 H new ATOM 0 HD21 ASN A 71 -7.382 6.118 -16.834 1.00 31.53 H new ATOM 0 HD22 ASN A 71 -5.777 6.484 -16.192 1.00 31.53 H new ATOM 1119 N ASN A 72 -3.724 5.483 -19.186 1.00 2.30 N ATOM 1120 CA ASN A 72 -3.619 6.736 -19.922 1.00 35.14 C ATOM 1121 C ASN A 72 -4.633 7.716 -19.417 1.00 53.41 C ATOM 1122 O ASN A 72 -5.826 7.403 -19.342 1.00 4.31 O ATOM 1123 CB ASN A 72 -3.788 6.542 -21.440 1.00 64.25 C ATOM 1124 CG ASN A 72 -2.660 5.757 -22.094 1.00 74.43 C ATOM 1125 OD1 ASN A 72 -2.038 4.886 -21.484 1.00 10.12 O ATOM 1126 ND2 ASN A 72 -2.395 6.057 -23.336 1.00 74.35 N ATOM 0 H ASN A 72 -3.921 4.668 -19.766 1.00 2.30 H new ATOM 0 HA ASN A 72 -2.614 7.124 -19.754 1.00 35.14 H new ATOM 0 HB2 ASN A 72 -4.731 6.028 -21.627 1.00 64.25 H new ATOM 0 HB3 ASN A 72 -3.859 7.520 -21.915 1.00 64.25 H new ATOM 0 HD21 ASN A 72 -1.652 5.564 -23.832 1.00 74.35 H new ATOM 0 HD22 ASN A 72 -2.930 6.784 -23.810 1.00 74.35 H new ATOM 1133 N MET A 73 -4.161 8.884 -19.039 1.00 61.32 N ATOM 1134 CA MET A 73 -5.012 9.916 -18.500 1.00 41.10 C ATOM 1135 C MET A 73 -6.075 10.318 -19.508 1.00 62.41 C ATOM 1136 O MET A 73 -5.774 10.736 -20.635 1.00 10.42 O ATOM 1137 CB MET A 73 -4.188 11.129 -18.006 1.00 34.05 C ATOM 1138 CG MET A 73 -3.321 11.803 -19.067 1.00 73.31 C ATOM 1139 SD MET A 73 -2.335 13.162 -18.400 1.00 12.11 S ATOM 1140 CE MET A 73 -1.483 13.704 -19.883 1.00 43.24 C ATOM 0 H MET A 73 -3.176 9.143 -19.098 1.00 61.32 H new ATOM 0 HA MET A 73 -5.526 9.512 -17.628 1.00 41.10 H new ATOM 0 HB2 MET A 73 -4.874 11.870 -17.596 1.00 34.05 H new ATOM 0 HB3 MET A 73 -3.545 10.802 -17.189 1.00 34.05 H new ATOM 0 HG2 MET A 73 -2.657 11.062 -19.512 1.00 73.31 H new ATOM 0 HG3 MET A 73 -3.959 12.180 -19.866 1.00 73.31 H new ATOM 0 HE1 MET A 73 -1.090 14.709 -19.730 1.00 43.24 H new ATOM 0 HE2 MET A 73 -0.661 13.022 -20.100 1.00 43.24 H new ATOM 0 HE3 MET A 73 -2.180 13.710 -20.721 1.00 43.24 H new ATOM 1150 N ILE A 74 -7.308 10.134 -19.127 1.00 13.14 N ATOM 1151 CA ILE A 74 -8.408 10.469 -19.975 1.00 21.52 C ATOM 1152 C ILE A 74 -8.777 11.928 -19.809 1.00 5.21 C ATOM 1153 O ILE A 74 -9.293 12.348 -18.776 1.00 42.22 O ATOM 1154 CB ILE A 74 -9.643 9.532 -19.761 1.00 34.31 C ATOM 1155 CG1 ILE A 74 -10.108 9.528 -18.288 1.00 24.53 C ATOM 1156 CG2 ILE A 74 -9.316 8.118 -20.229 1.00 31.22 C ATOM 1157 CD1 ILE A 74 -11.344 8.692 -18.033 1.00 62.35 C ATOM 0 H ILE A 74 -7.574 9.748 -18.221 1.00 13.14 H new ATOM 0 HA ILE A 74 -8.086 10.309 -21.004 1.00 21.52 H new ATOM 0 HB ILE A 74 -10.467 9.920 -20.359 1.00 34.31 H new ATOM 0 HG12 ILE A 74 -9.296 9.157 -17.663 1.00 24.53 H new ATOM 0 HG13 ILE A 74 -10.306 10.554 -17.978 1.00 24.53 H new ATOM 0 HG21 ILE A 74 -10.182 7.474 -20.075 1.00 31.22 H new ATOM 0 HG22 ILE A 74 -9.060 8.135 -21.288 1.00 31.22 H new ATOM 0 HG23 ILE A 74 -8.472 7.732 -19.658 1.00 31.22 H new ATOM 0 HD11 ILE A 74 -11.605 8.742 -16.976 1.00 62.35 H new ATOM 0 HD12 ILE A 74 -12.172 9.075 -18.630 1.00 62.35 H new ATOM 0 HD13 ILE A 74 -11.146 7.656 -18.310 1.00 62.35 H new ATOM 1169 N GLN A 75 -8.462 12.706 -20.798 1.00 13.51 N ATOM 1170 CA GLN A 75 -8.775 14.102 -20.774 1.00 73.40 C ATOM 1171 C GLN A 75 -9.814 14.367 -21.823 1.00 52.34 C ATOM 1172 O GLN A 75 -9.455 14.548 -22.999 1.00 36.90 O ATOM 1173 CB GLN A 75 -7.522 14.946 -21.007 1.00 45.14 C ATOM 1174 CG GLN A 75 -6.432 14.707 -19.976 1.00 43.32 C ATOM 1175 CD GLN A 75 -5.210 15.553 -20.217 1.00 15.24 C ATOM 1176 OE1 GLN A 75 -4.298 15.154 -20.924 1.00 70.21 O ATOM 1177 NE2 GLN A 75 -5.172 16.711 -19.621 1.00 30.34 N ATOM 0 H GLN A 75 -7.982 12.393 -21.642 1.00 13.51 H new ATOM 0 HA GLN A 75 -9.165 14.380 -19.795 1.00 73.40 H new ATOM 0 HB2 GLN A 75 -7.127 14.729 -21.999 1.00 45.14 H new ATOM 0 HB3 GLN A 75 -7.797 16.001 -20.996 1.00 45.14 H new ATOM 0 HG2 GLN A 75 -6.825 14.919 -18.982 1.00 43.32 H new ATOM 0 HG3 GLN A 75 -6.149 13.654 -19.990 1.00 43.32 H new ATOM 0 HE21 GLN A 75 -5.954 17.010 -19.038 1.00 30.34 H new ATOM 0 HE22 GLN A 75 -4.361 17.318 -19.738 1.00 30.34 H new TER 1186 GLN A 75