USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 494 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= -0.0295 (180deg=-0.406) USER MOD Single : A 6 SER OG : rot -2:sc= 0.623! USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -132:sc= -0.757 (180deg=-2.55!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 168:sc= -3.31! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 158:sc= -0.0436 (180deg=-0.297) USER MOD Single : A 31 GLN :FLIP amide:sc= -6.78! C(o=-9.3!,f=-6.8!) USER MOD Single : A 32 ASN : amide:sc= -0.0328 X(o=-0.033,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0512 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 145:sc= -0.19 (180deg=-0.889) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.00323 X(o=0.0032,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.827 1.071 -3.010 1.00 54.23 N ATOM 2 CA MET A 1 -0.410 0.066 -2.040 1.00 2.24 C ATOM 3 C MET A 1 -0.145 -1.272 -2.722 1.00 73.02 C ATOM 4 O MET A 1 -1.049 -2.096 -2.864 1.00 63.31 O ATOM 5 CB MET A 1 -1.477 -0.102 -0.957 1.00 33.52 C ATOM 6 CG MET A 1 -1.718 1.156 -0.139 1.00 44.21 C ATOM 7 SD MET A 1 -3.463 1.596 -0.038 1.00 33.00 S ATOM 8 CE MET A 1 -3.368 3.382 -0.131 1.00 14.23 C ATOM 0 H1 MET A 1 -0.553 2.015 -2.671 1.00 54.23 H new ATOM 0 H2 MET A 1 -0.366 0.884 -3.924 1.00 54.23 H new ATOM 0 H3 MET A 1 -1.859 1.032 -3.128 1.00 54.23 H new ATOM 0 HA MET A 1 0.516 0.407 -1.577 1.00 2.24 H new ATOM 0 HB2 MET A 1 -2.413 -0.406 -1.425 1.00 33.52 H new ATOM 0 HB3 MET A 1 -1.179 -0.909 -0.288 1.00 33.52 H new ATOM 0 HG2 MET A 1 -1.325 1.011 0.867 1.00 44.21 H new ATOM 0 HG3 MET A 1 -1.164 1.984 -0.581 1.00 44.21 H new ATOM 0 HE1 MET A 1 -4.372 3.803 -0.081 1.00 14.23 H new ATOM 0 HE2 MET A 1 -2.775 3.759 0.702 1.00 14.23 H new ATOM 0 HE3 MET A 1 -2.899 3.673 -1.071 1.00 14.23 H new ATOM 18 N ASP A 2 1.097 -1.481 -3.143 1.00 22.11 N ATOM 19 CA ASP A 2 1.480 -2.720 -3.810 1.00 44.11 C ATOM 20 C ASP A 2 2.966 -2.714 -4.156 1.00 2.13 C ATOM 21 O ASP A 2 3.570 -1.654 -4.324 1.00 52.04 O ATOM 22 CB ASP A 2 0.650 -2.919 -5.079 1.00 13.11 C ATOM 23 CG ASP A 2 0.009 -4.291 -5.142 1.00 60.41 C ATOM 24 OD1 ASP A 2 0.703 -5.253 -5.533 1.00 62.24 O ATOM 25 OD2 ASP A 2 -1.186 -4.404 -4.799 1.00 73.04 O ATOM 0 H ASP A 2 1.856 -0.809 -3.034 1.00 22.11 H new ATOM 0 HA ASP A 2 1.287 -3.546 -3.126 1.00 44.11 H new ATOM 0 HB2 ASP A 2 -0.127 -2.156 -5.125 1.00 13.11 H new ATOM 0 HB3 ASP A 2 1.287 -2.778 -5.952 1.00 13.11 H new ATOM 30 N ILE A 3 3.549 -3.903 -4.258 1.00 63.43 N ATOM 31 CA ILE A 3 4.964 -4.035 -4.584 1.00 0.44 C ATOM 32 C ILE A 3 5.158 -4.434 -6.043 1.00 10.15 C ATOM 33 O ILE A 3 4.228 -4.907 -6.696 1.00 63.50 O ATOM 34 CB ILE A 3 5.655 -5.075 -3.682 1.00 51.12 C ATOM 35 CG1 ILE A 3 5.066 -5.030 -2.271 1.00 31.22 C ATOM 36 CG2 ILE A 3 7.156 -4.829 -3.644 1.00 12.03 C ATOM 37 CD1 ILE A 3 5.674 -6.046 -1.330 1.00 21.42 C ATOM 0 H ILE A 3 3.064 -4.789 -4.120 1.00 63.43 H new ATOM 0 HA ILE A 3 5.419 -3.059 -4.414 1.00 0.44 H new ATOM 0 HB ILE A 3 5.480 -6.068 -4.097 1.00 51.12 H new ATOM 0 HG12 ILE A 3 5.210 -4.032 -1.857 1.00 31.22 H new ATOM 0 HG13 ILE A 3 3.991 -5.199 -2.329 1.00 31.22 H new ATOM 0 HG21 ILE A 3 7.630 -5.572 -3.003 1.00 12.03 H new ATOM 0 HG22 ILE A 3 7.563 -4.907 -4.652 1.00 12.03 H new ATOM 0 HG23 ILE A 3 7.351 -3.832 -3.250 1.00 12.03 H new ATOM 0 HD11 ILE A 3 5.209 -5.957 -0.348 1.00 21.42 H new ATOM 0 HD12 ILE A 3 5.507 -7.050 -1.721 1.00 21.42 H new ATOM 0 HD13 ILE A 3 6.745 -5.865 -1.242 1.00 21.42 H new ATOM 49 N ASP A 4 6.372 -4.241 -6.546 1.00 71.14 N ATOM 50 CA ASP A 4 6.690 -4.584 -7.928 1.00 14.22 C ATOM 51 C ASP A 4 8.195 -4.748 -8.115 1.00 33.04 C ATOM 52 O ASP A 4 8.984 -3.941 -7.623 1.00 55.51 O ATOM 53 CB ASP A 4 6.160 -3.508 -8.877 1.00 74.33 C ATOM 54 CG ASP A 4 4.731 -3.772 -9.311 1.00 10.31 C ATOM 55 OD1 ASP A 4 4.515 -4.712 -10.104 1.00 30.43 O ATOM 56 OD2 ASP A 4 3.829 -3.038 -8.857 1.00 12.33 O ATOM 0 H ASP A 4 7.152 -3.849 -6.018 1.00 71.14 H new ATOM 0 HA ASP A 4 6.208 -5.533 -8.161 1.00 14.22 H new ATOM 0 HB2 ASP A 4 6.214 -2.536 -8.386 1.00 74.33 H new ATOM 0 HB3 ASP A 4 6.801 -3.457 -9.757 1.00 74.33 H new ATOM 61 N PHE A 5 8.586 -5.799 -8.827 1.00 22.30 N ATOM 62 CA PHE A 5 9.997 -6.071 -9.077 1.00 51.00 C ATOM 63 C PHE A 5 10.626 -4.958 -9.910 1.00 11.22 C ATOM 64 O PHE A 5 11.834 -4.729 -9.849 1.00 71.42 O ATOM 65 CB PHE A 5 10.161 -7.413 -9.793 1.00 34.43 C ATOM 66 CG PHE A 5 11.572 -7.697 -10.220 1.00 44.41 C ATOM 67 CD1 PHE A 5 12.538 -8.037 -9.287 1.00 32.25 C ATOM 68 CD2 PHE A 5 11.934 -7.622 -11.556 1.00 1.34 C ATOM 69 CE1 PHE A 5 13.838 -8.299 -9.676 1.00 52.15 C ATOM 70 CE2 PHE A 5 13.232 -7.883 -11.951 1.00 43.45 C ATOM 71 CZ PHE A 5 14.186 -8.220 -11.011 1.00 34.43 C ATOM 0 H PHE A 5 7.946 -6.477 -9.241 1.00 22.30 H new ATOM 0 HA PHE A 5 10.508 -6.115 -8.115 1.00 51.00 H new ATOM 0 HB2 PHE A 5 9.822 -8.211 -9.133 1.00 34.43 H new ATOM 0 HB3 PHE A 5 9.514 -7.429 -10.670 1.00 34.43 H new ATOM 0 HD1 PHE A 5 12.272 -8.098 -8.242 1.00 32.25 H new ATOM 0 HD2 PHE A 5 11.193 -7.357 -12.296 1.00 1.34 H new ATOM 0 HE1 PHE A 5 14.580 -8.565 -8.938 1.00 52.15 H new ATOM 0 HE2 PHE A 5 13.501 -7.823 -12.995 1.00 43.45 H new ATOM 0 HZ PHE A 5 15.202 -8.421 -11.319 1.00 34.43 H new ATOM 81 N SER A 6 9.797 -4.268 -10.688 1.00 22.54 N ATOM 82 CA SER A 6 10.272 -3.182 -11.536 1.00 53.15 C ATOM 83 C SER A 6 9.851 -1.828 -10.972 1.00 70.32 C ATOM 84 O SER A 6 8.661 -1.540 -10.837 1.00 62.45 O ATOM 85 CB SER A 6 9.732 -3.344 -12.959 1.00 34.54 C ATOM 86 OG SER A 6 8.386 -2.909 -13.046 1.00 11.00 O ATOM 0 H SER A 6 8.794 -4.442 -10.748 1.00 22.54 H new ATOM 0 HA SER A 6 11.361 -3.223 -11.561 1.00 53.15 H new ATOM 0 HB2 SER A 6 10.348 -2.772 -13.653 1.00 34.54 H new ATOM 0 HB3 SER A 6 9.800 -4.389 -13.260 1.00 34.54 H new ATOM 0 HG SER A 6 8.076 -2.624 -12.161 1.00 11.00 H new ATOM 92 N THR A 7 10.837 -0.999 -10.643 1.00 73.11 N ATOM 93 CA THR A 7 10.571 0.324 -10.092 1.00 71.32 C ATOM 94 C THR A 7 11.497 1.370 -10.702 1.00 71.34 C ATOM 95 O THR A 7 11.540 2.515 -10.251 1.00 61.40 O ATOM 96 CB THR A 7 10.737 0.338 -8.561 1.00 11.31 C ATOM 97 OG1 THR A 7 11.578 -0.745 -8.149 1.00 42.30 O ATOM 98 CG2 THR A 7 9.386 0.230 -7.869 1.00 64.41 C ATOM 0 H THR A 7 11.827 -1.221 -10.749 1.00 73.11 H new ATOM 0 HA THR A 7 9.538 0.568 -10.340 1.00 71.32 H new ATOM 0 HB THR A 7 11.198 1.284 -8.277 1.00 11.31 H new ATOM 0 HG1 THR A 7 11.680 -0.728 -7.174 1.00 42.30 H new ATOM 0 HG21 THR A 7 9.529 0.242 -6.788 1.00 64.41 H new ATOM 0 HG22 THR A 7 8.759 1.072 -8.162 1.00 64.41 H new ATOM 0 HG23 THR A 7 8.901 -0.702 -8.161 1.00 64.41 H new ATOM 106 N CYS A 8 12.237 0.970 -11.731 1.00 54.03 N ATOM 107 CA CYS A 8 13.163 1.873 -12.405 1.00 35.25 C ATOM 108 C CYS A 8 13.065 1.721 -13.920 1.00 2.02 C ATOM 109 O CYS A 8 12.651 0.678 -14.424 1.00 72.21 O ATOM 110 CB CYS A 8 14.596 1.602 -11.945 1.00 5.11 C ATOM 111 SG CYS A 8 15.778 2.919 -12.381 1.00 31.54 S ATOM 0 H CYS A 8 12.213 0.026 -12.116 1.00 54.03 H new ATOM 0 HA CYS A 8 12.891 2.895 -12.143 1.00 35.25 H new ATOM 0 HB2 CYS A 8 14.600 1.468 -10.863 1.00 5.11 H new ATOM 0 HB3 CYS A 8 14.936 0.664 -12.383 1.00 5.11 H new ATOM 116 N ALA A 9 13.450 2.770 -14.640 1.00 25.51 N ATOM 117 CA ALA A 9 13.409 2.753 -16.097 1.00 21.52 C ATOM 118 C ALA A 9 14.492 1.842 -16.666 1.00 73.11 C ATOM 119 O ALA A 9 14.453 1.475 -17.841 1.00 2.42 O ATOM 120 CB ALA A 9 13.561 4.163 -16.646 1.00 1.54 C ATOM 0 H ALA A 9 13.794 3.642 -14.238 1.00 25.51 H new ATOM 0 HA ALA A 9 12.440 2.358 -16.404 1.00 21.52 H new ATOM 0 HB1 ALA A 9 13.529 4.135 -17.735 1.00 1.54 H new ATOM 0 HB2 ALA A 9 12.748 4.788 -16.275 1.00 1.54 H new ATOM 0 HB3 ALA A 9 14.515 4.579 -16.322 1.00 1.54 H new ATOM 126 N ARG A 10 15.457 1.481 -15.827 1.00 34.05 N ATOM 127 CA ARG A 10 16.551 0.615 -16.247 1.00 61.34 C ATOM 128 C ARG A 10 16.234 -0.847 -15.946 1.00 22.22 C ATOM 129 O ARG A 10 17.137 -1.666 -15.779 1.00 62.51 O ATOM 130 CB ARG A 10 17.849 1.021 -15.548 1.00 4.02 C ATOM 131 CG ARG A 10 18.125 2.515 -15.595 1.00 13.14 C ATOM 132 CD ARG A 10 18.242 3.015 -17.026 1.00 4.21 C ATOM 133 NE ARG A 10 19.307 4.004 -17.175 1.00 23.45 N ATOM 134 CZ ARG A 10 20.600 3.704 -17.126 1.00 64.53 C ATOM 135 NH1 ARG A 10 20.987 2.450 -16.935 1.00 33.31 N ATOM 136 NH2 ARG A 10 21.510 4.659 -17.270 1.00 62.32 N ATOM 0 H ARG A 10 15.503 1.775 -14.851 1.00 34.05 H new ATOM 0 HA ARG A 10 16.676 0.727 -17.324 1.00 61.34 H new ATOM 0 HB2 ARG A 10 17.807 0.701 -14.507 1.00 4.02 H new ATOM 0 HB3 ARG A 10 18.682 0.492 -16.011 1.00 4.02 H new ATOM 0 HG2 ARG A 10 17.324 3.050 -15.086 1.00 13.14 H new ATOM 0 HG3 ARG A 10 19.047 2.733 -15.056 1.00 13.14 H new ATOM 0 HD2 ARG A 10 18.434 2.172 -17.690 1.00 4.21 H new ATOM 0 HD3 ARG A 10 17.294 3.454 -17.335 1.00 4.21 H new ATOM 0 HE ARG A 10 19.043 4.978 -17.325 1.00 23.45 H new ATOM 0 HH11 ARG A 10 20.291 1.713 -16.825 1.00 33.31 H new ATOM 0 HH12 ARG A 10 21.981 2.223 -16.898 1.00 33.31 H new ATOM 0 HH21 ARG A 10 21.217 5.625 -17.418 1.00 62.32 H new ATOM 0 HH22 ARG A 10 22.503 4.427 -17.232 1.00 62.32 H new ATOM 150 N MET A 11 14.946 -1.166 -15.877 1.00 12.11 N ATOM 151 CA MET A 11 14.510 -2.529 -15.596 1.00 22.00 C ATOM 152 C MET A 11 14.443 -3.353 -16.878 1.00 30.33 C ATOM 153 O MET A 11 15.226 -4.283 -17.071 1.00 23.35 O ATOM 154 CB MET A 11 13.143 -2.519 -14.910 1.00 32.01 C ATOM 155 CG MET A 11 12.810 -3.821 -14.199 1.00 41.21 C ATOM 156 SD MET A 11 11.763 -4.905 -15.189 1.00 1.20 S ATOM 157 CE MET A 11 12.721 -6.418 -15.162 1.00 43.23 C ATOM 0 H MET A 11 14.186 -0.499 -16.012 1.00 12.11 H new ATOM 0 HA MET A 11 15.240 -2.987 -14.928 1.00 22.00 H new ATOM 0 HB2 MET A 11 13.114 -1.703 -14.188 1.00 32.01 H new ATOM 0 HB3 MET A 11 12.374 -2.314 -15.654 1.00 32.01 H new ATOM 0 HG2 MET A 11 13.735 -4.342 -13.952 1.00 41.21 H new ATOM 0 HG3 MET A 11 12.308 -3.598 -13.257 1.00 41.21 H new ATOM 0 HE1 MET A 11 12.806 -6.813 -16.174 1.00 43.23 H new ATOM 0 HE2 MET A 11 13.716 -6.212 -14.768 1.00 43.23 H new ATOM 0 HE3 MET A 11 12.225 -7.152 -14.527 1.00 43.23 H new ATOM 167 N ASP A 12 13.503 -3.007 -17.750 1.00 41.51 N ATOM 168 CA ASP A 12 13.334 -3.714 -19.014 1.00 24.20 C ATOM 169 C ASP A 12 12.550 -2.867 -20.011 1.00 10.32 C ATOM 170 O ASP A 12 12.846 -2.862 -21.206 1.00 1.23 O ATOM 171 CB ASP A 12 12.620 -5.047 -18.785 1.00 71.03 C ATOM 172 CG ASP A 12 13.138 -6.145 -19.693 1.00 42.02 C ATOM 173 OD1 ASP A 12 13.447 -7.242 -19.182 1.00 34.02 O ATOM 174 OD2 ASP A 12 13.235 -5.908 -20.915 1.00 53.42 O ATOM 0 H ASP A 12 12.846 -2.241 -17.605 1.00 41.51 H new ATOM 0 HA ASP A 12 14.323 -3.907 -19.429 1.00 24.20 H new ATOM 0 HB2 ASP A 12 12.746 -5.350 -17.745 1.00 71.03 H new ATOM 0 HB3 ASP A 12 11.551 -4.916 -18.951 1.00 71.03 H new ATOM 179 N VAL A 13 11.547 -2.151 -19.511 1.00 61.43 N ATOM 180 CA VAL A 13 10.720 -1.300 -20.358 1.00 34.03 C ATOM 181 C VAL A 13 10.967 0.175 -20.063 1.00 2.14 C ATOM 182 O VAL A 13 10.205 0.828 -19.350 1.00 34.44 O ATOM 183 CB VAL A 13 9.222 -1.606 -20.168 1.00 10.10 C ATOM 184 CG1 VAL A 13 8.852 -2.910 -20.857 1.00 73.33 C ATOM 185 CG2 VAL A 13 8.872 -1.657 -18.688 1.00 63.24 C ATOM 0 H VAL A 13 11.288 -2.144 -18.524 1.00 61.43 H new ATOM 0 HA VAL A 13 10.999 -1.513 -21.390 1.00 34.03 H new ATOM 0 HB VAL A 13 8.644 -0.804 -20.627 1.00 10.10 H new ATOM 0 HG11 VAL A 13 7.790 -3.110 -20.712 1.00 73.33 H new ATOM 0 HG12 VAL A 13 9.064 -2.831 -21.923 1.00 73.33 H new ATOM 0 HG13 VAL A 13 9.436 -3.725 -20.430 1.00 73.33 H new ATOM 0 HG21 VAL A 13 7.810 -1.874 -18.573 1.00 63.24 H new ATOM 0 HG22 VAL A 13 9.457 -2.438 -18.202 1.00 63.24 H new ATOM 0 HG23 VAL A 13 9.098 -0.695 -18.227 1.00 63.24 H new ATOM 195 N PRO A 14 12.059 0.716 -20.624 1.00 20.53 N ATOM 196 CA PRO A 14 12.432 2.121 -20.436 1.00 64.40 C ATOM 197 C PRO A 14 11.476 3.074 -21.144 1.00 44.15 C ATOM 198 O PRO A 14 11.553 4.290 -20.967 1.00 0.22 O ATOM 199 CB PRO A 14 13.828 2.203 -21.058 1.00 65.24 C ATOM 200 CG PRO A 14 13.864 1.097 -22.056 1.00 23.11 C ATOM 201 CD PRO A 14 13.013 -0.003 -21.485 1.00 72.31 C ATOM 0 HA PRO A 14 12.400 2.415 -19.387 1.00 64.40 H new ATOM 0 HB2 PRO A 14 13.994 3.170 -21.533 1.00 65.24 H new ATOM 0 HB3 PRO A 14 14.605 2.081 -20.304 1.00 65.24 H new ATOM 0 HG2 PRO A 14 13.478 1.428 -23.020 1.00 23.11 H new ATOM 0 HG3 PRO A 14 14.885 0.754 -22.222 1.00 23.11 H new ATOM 0 HD2 PRO A 14 12.503 -0.564 -22.268 1.00 72.31 H new ATOM 0 HD3 PRO A 14 13.608 -0.717 -20.916 1.00 72.31 H new ATOM 209 N ILE A 15 10.577 2.515 -21.947 1.00 31.13 N ATOM 210 CA ILE A 15 9.605 3.316 -22.680 1.00 42.43 C ATOM 211 C ILE A 15 8.879 4.285 -21.753 1.00 5.21 C ATOM 212 O ILE A 15 8.500 5.384 -22.159 1.00 53.22 O ATOM 213 CB ILE A 15 8.567 2.429 -23.392 1.00 54.52 C ATOM 214 CG1 ILE A 15 9.265 1.430 -24.316 1.00 62.13 C ATOM 215 CG2 ILE A 15 7.586 3.288 -24.177 1.00 13.15 C ATOM 216 CD1 ILE A 15 9.204 0.003 -23.819 1.00 21.40 C ATOM 0 H ILE A 15 10.502 1.510 -22.106 1.00 31.13 H new ATOM 0 HA ILE A 15 10.162 3.881 -23.427 1.00 42.43 H new ATOM 0 HB ILE A 15 8.010 1.871 -22.639 1.00 54.52 H new ATOM 0 HG12 ILE A 15 8.809 1.482 -25.305 1.00 62.13 H new ATOM 0 HG13 ILE A 15 10.309 1.722 -24.431 1.00 62.13 H new ATOM 0 HG21 ILE A 15 6.858 2.647 -24.675 1.00 13.15 H new ATOM 0 HG22 ILE A 15 7.068 3.964 -23.496 1.00 13.15 H new ATOM 0 HG23 ILE A 15 8.128 3.869 -24.923 1.00 13.15 H new ATOM 0 HD11 ILE A 15 9.719 -0.650 -24.524 1.00 21.40 H new ATOM 0 HD12 ILE A 15 9.686 -0.064 -22.844 1.00 21.40 H new ATOM 0 HD13 ILE A 15 8.163 -0.307 -23.731 1.00 21.40 H new ATOM 228 N LEU A 16 8.691 3.872 -20.505 1.00 23.44 N ATOM 229 CA LEU A 16 8.013 4.704 -19.517 1.00 75.41 C ATOM 230 C LEU A 16 8.978 5.147 -18.423 1.00 1.32 C ATOM 231 O LEU A 16 8.785 4.840 -17.246 1.00 74.45 O ATOM 232 CB LEU A 16 6.839 3.941 -18.899 1.00 50.42 C ATOM 233 CG LEU A 16 5.875 3.279 -19.885 1.00 4.14 C ATOM 234 CD1 LEU A 16 4.773 2.543 -19.140 1.00 33.21 C ATOM 235 CD2 LEU A 16 5.284 4.315 -20.830 1.00 33.34 C ATOM 0 H LEU A 16 8.999 2.966 -20.153 1.00 23.44 H new ATOM 0 HA LEU A 16 7.636 5.592 -20.024 1.00 75.41 H new ATOM 0 HB2 LEU A 16 7.239 3.170 -18.240 1.00 50.42 H new ATOM 0 HB3 LEU A 16 6.271 4.631 -18.275 1.00 50.42 H new ATOM 0 HG LEU A 16 6.432 2.553 -20.477 1.00 4.14 H new ATOM 0 HD11 LEU A 16 4.097 2.078 -19.857 1.00 33.21 H new ATOM 0 HD12 LEU A 16 5.214 1.774 -18.506 1.00 33.21 H new ATOM 0 HD13 LEU A 16 4.218 3.249 -18.522 1.00 33.21 H new ATOM 0 HD21 LEU A 16 4.601 3.826 -21.524 1.00 33.34 H new ATOM 0 HD22 LEU A 16 4.741 5.065 -20.254 1.00 33.34 H new ATOM 0 HD23 LEU A 16 6.086 4.797 -21.389 1.00 33.34 H new ATOM 247 N LYS A 17 10.018 5.874 -18.818 1.00 11.24 N ATOM 248 CA LYS A 17 11.013 6.364 -17.871 1.00 51.42 C ATOM 249 C LYS A 17 10.361 7.224 -16.793 1.00 40.52 C ATOM 250 O LYS A 17 10.621 7.049 -15.603 1.00 33.34 O ATOM 251 CB LYS A 17 12.088 7.172 -18.602 1.00 53.02 C ATOM 252 CG LYS A 17 13.095 6.312 -19.345 1.00 72.53 C ATOM 253 CD LYS A 17 13.170 6.686 -20.816 1.00 64.21 C ATOM 254 CE LYS A 17 14.104 5.759 -21.580 1.00 34.11 C ATOM 255 NZ LYS A 17 15.145 6.515 -22.330 1.00 33.13 N ATOM 0 H LYS A 17 10.194 6.137 -19.788 1.00 11.24 H new ATOM 0 HA LYS A 17 11.478 5.502 -17.392 1.00 51.42 H new ATOM 0 HB2 LYS A 17 11.606 7.846 -19.310 1.00 53.02 H new ATOM 0 HB3 LYS A 17 12.617 7.794 -17.880 1.00 53.02 H new ATOM 0 HG2 LYS A 17 14.079 6.426 -18.889 1.00 72.53 H new ATOM 0 HG3 LYS A 17 12.819 5.262 -19.249 1.00 72.53 H new ATOM 0 HD2 LYS A 17 12.173 6.642 -21.255 1.00 64.21 H new ATOM 0 HD3 LYS A 17 13.517 7.715 -20.914 1.00 64.21 H new ATOM 0 HE2 LYS A 17 14.585 5.073 -20.883 1.00 34.11 H new ATOM 0 HE3 LYS A 17 13.524 5.152 -22.275 1.00 34.11 H new ATOM 0 HZ1 LYS A 17 15.761 5.848 -22.837 1.00 33.13 H new ATOM 0 HZ2 LYS A 17 14.687 7.151 -23.013 1.00 33.13 H new ATOM 0 HZ3 LYS A 17 15.715 7.075 -21.664 1.00 33.13 H new ATOM 269 N LYS A 18 9.512 8.154 -17.218 1.00 0.24 N ATOM 270 CA LYS A 18 8.820 9.040 -16.289 1.00 41.42 C ATOM 271 C LYS A 18 7.989 8.241 -15.291 1.00 22.32 C ATOM 272 O LYS A 18 7.889 8.605 -14.120 1.00 2.23 O ATOM 273 CB LYS A 18 7.920 10.013 -17.055 1.00 30.31 C ATOM 274 CG LYS A 18 8.367 11.461 -16.957 1.00 13.15 C ATOM 275 CD LYS A 18 7.868 12.113 -15.678 1.00 23.35 C ATOM 276 CE LYS A 18 8.943 12.977 -15.037 1.00 43.40 C ATOM 277 NZ LYS A 18 8.382 14.242 -14.485 1.00 63.33 N ATOM 0 H LYS A 18 9.287 8.314 -18.200 1.00 0.24 H new ATOM 0 HA LYS A 18 9.571 9.606 -15.738 1.00 41.42 H new ATOM 0 HB2 LYS A 18 7.893 9.720 -18.105 1.00 30.31 H new ATOM 0 HB3 LYS A 18 6.902 9.929 -16.675 1.00 30.31 H new ATOM 0 HG2 LYS A 18 9.455 11.510 -16.991 1.00 13.15 H new ATOM 0 HG3 LYS A 18 7.996 12.016 -17.818 1.00 13.15 H new ATOM 0 HD2 LYS A 18 6.992 12.723 -15.897 1.00 23.35 H new ATOM 0 HD3 LYS A 18 7.552 11.342 -14.975 1.00 23.35 H new ATOM 0 HE2 LYS A 18 9.431 12.417 -14.239 1.00 43.40 H new ATOM 0 HE3 LYS A 18 9.709 13.211 -15.776 1.00 43.40 H new ATOM 0 HZ1 LYS A 18 9.146 14.803 -14.057 1.00 63.33 H new ATOM 0 HZ2 LYS A 18 7.939 14.788 -15.251 1.00 63.33 H new ATOM 0 HZ3 LYS A 18 7.669 14.019 -13.761 1.00 63.33 H new ATOM 291 N ALA A 19 7.396 7.149 -15.762 1.00 22.42 N ATOM 292 CA ALA A 19 6.577 6.296 -14.909 1.00 63.12 C ATOM 293 C ALA A 19 7.440 5.509 -13.929 1.00 3.13 C ATOM 294 O ALA A 19 7.134 5.434 -12.739 1.00 74.23 O ATOM 295 CB ALA A 19 5.741 5.349 -15.757 1.00 62.22 C ATOM 0 H ALA A 19 7.467 6.834 -16.730 1.00 22.42 H new ATOM 0 HA ALA A 19 5.909 6.935 -14.332 1.00 63.12 H new ATOM 0 HB1 ALA A 19 5.134 4.718 -15.107 1.00 62.22 H new ATOM 0 HB2 ALA A 19 5.090 5.927 -16.413 1.00 62.22 H new ATOM 0 HB3 ALA A 19 6.399 4.723 -16.359 1.00 62.22 H new ATOM 301 N ALA A 20 8.520 4.924 -14.436 1.00 23.21 N ATOM 302 CA ALA A 20 9.428 4.144 -13.604 1.00 62.31 C ATOM 303 C ALA A 20 10.100 5.021 -12.553 1.00 32.43 C ATOM 304 O ALA A 20 10.166 4.657 -11.379 1.00 33.20 O ATOM 305 CB ALA A 20 10.475 3.456 -14.467 1.00 62.43 C ATOM 0 H ALA A 20 8.788 4.975 -15.419 1.00 23.21 H new ATOM 0 HA ALA A 20 8.843 3.384 -13.086 1.00 62.31 H new ATOM 0 HB1 ALA A 20 11.146 2.877 -13.833 1.00 62.43 H new ATOM 0 HB2 ALA A 20 9.982 2.791 -15.176 1.00 62.43 H new ATOM 0 HB3 ALA A 20 11.048 4.206 -15.012 1.00 62.43 H new ATOM 311 N GLN A 21 10.597 6.176 -12.982 1.00 62.24 N ATOM 312 CA GLN A 21 11.265 7.103 -12.077 1.00 2.30 C ATOM 313 C GLN A 21 10.274 7.709 -11.089 1.00 75.01 C ATOM 314 O GLN A 21 10.631 8.039 -9.959 1.00 34.51 O ATOM 315 CB GLN A 21 11.957 8.214 -12.870 1.00 34.14 C ATOM 316 CG GLN A 21 13.462 8.037 -12.978 1.00 65.34 C ATOM 317 CD GLN A 21 14.071 8.878 -14.083 1.00 12.32 C ATOM 318 OE1 GLN A 21 14.770 9.857 -13.820 1.00 1.13 O ATOM 319 NE2 GLN A 21 13.807 8.501 -15.328 1.00 65.04 N ATOM 0 H GLN A 21 10.550 6.492 -13.951 1.00 62.24 H new ATOM 0 HA GLN A 21 12.015 6.546 -11.515 1.00 2.30 H new ATOM 0 HB2 GLN A 21 11.531 8.253 -13.873 1.00 34.14 H new ATOM 0 HB3 GLN A 21 11.745 9.173 -12.397 1.00 34.14 H new ATOM 0 HG2 GLN A 21 13.924 8.303 -12.027 1.00 65.34 H new ATOM 0 HG3 GLN A 21 13.688 6.986 -13.160 1.00 65.34 H new ATOM 0 HE21 GLN A 21 13.223 7.683 -15.500 1.00 65.04 H new ATOM 0 HE22 GLN A 21 14.189 9.029 -16.113 1.00 65.04 H new ATOM 328 N GLY A 22 9.025 7.853 -11.524 1.00 43.32 N ATOM 329 CA GLY A 22 8.001 8.420 -10.666 1.00 24.21 C ATOM 330 C GLY A 22 7.876 7.682 -9.348 1.00 30.50 C ATOM 331 O GLY A 22 7.497 8.268 -8.333 1.00 73.51 O ATOM 0 H GLY A 22 8.705 7.587 -12.455 1.00 43.32 H new ATOM 0 HA2 GLY A 22 8.233 9.467 -10.472 1.00 24.21 H new ATOM 0 HA3 GLY A 22 7.043 8.396 -11.185 1.00 24.21 H new ATOM 335 N LEU A 23 8.193 6.392 -9.362 1.00 22.41 N ATOM 336 CA LEU A 23 8.113 5.571 -8.159 1.00 34.15 C ATOM 337 C LEU A 23 9.238 5.915 -7.189 1.00 25.44 C ATOM 338 O LEU A 23 9.372 5.298 -6.131 1.00 75.21 O ATOM 339 CB LEU A 23 8.175 4.087 -8.524 1.00 74.14 C ATOM 340 CG LEU A 23 7.232 3.630 -9.639 1.00 1.44 C ATOM 341 CD1 LEU A 23 7.208 2.113 -9.729 1.00 64.52 C ATOM 342 CD2 LEU A 23 5.830 4.175 -9.408 1.00 30.35 C ATOM 0 H LEU A 23 8.508 5.892 -10.193 1.00 22.41 H new ATOM 0 HA LEU A 23 7.161 5.779 -7.671 1.00 34.15 H new ATOM 0 HB2 LEU A 23 9.197 3.848 -8.819 1.00 74.14 H new ATOM 0 HB3 LEU A 23 7.957 3.504 -7.629 1.00 74.14 H new ATOM 0 HG LEU A 23 7.602 4.024 -10.586 1.00 1.44 H new ATOM 0 HD11 LEU A 23 6.532 1.807 -10.527 1.00 64.52 H new ATOM 0 HD12 LEU A 23 8.212 1.745 -9.942 1.00 64.52 H new ATOM 0 HD13 LEU A 23 6.863 1.698 -8.782 1.00 64.52 H new ATOM 0 HD21 LEU A 23 5.173 3.840 -10.210 1.00 30.35 H new ATOM 0 HD22 LEU A 23 5.451 3.811 -8.453 1.00 30.35 H new ATOM 0 HD23 LEU A 23 5.861 5.264 -9.395 1.00 30.35 H new ATOM 354 N CYS A 24 10.046 6.905 -7.554 1.00 71.43 N ATOM 355 CA CYS A 24 11.160 7.333 -6.717 1.00 33.33 C ATOM 356 C CYS A 24 11.024 8.806 -6.343 1.00 2.01 C ATOM 357 O CYS A 24 11.081 9.166 -5.167 1.00 10.12 O ATOM 358 CB CYS A 24 12.488 7.099 -7.439 1.00 71.42 C ATOM 359 SG CYS A 24 13.628 5.984 -6.557 1.00 54.23 S ATOM 0 H CYS A 24 9.950 7.426 -8.425 1.00 71.43 H new ATOM 0 HA CYS A 24 11.143 6.741 -5.802 1.00 33.33 H new ATOM 0 HB2 CYS A 24 12.284 6.686 -8.427 1.00 71.42 H new ATOM 0 HB3 CYS A 24 12.981 8.059 -7.591 1.00 71.42 H new ATOM 364 N ILE A 25 10.845 9.652 -7.351 1.00 53.34 N ATOM 365 CA ILE A 25 10.700 11.086 -7.129 1.00 33.53 C ATOM 366 C ILE A 25 9.415 11.397 -6.369 1.00 74.50 C ATOM 367 O ILE A 25 9.421 12.157 -5.400 1.00 73.22 O ATOM 368 CB ILE A 25 10.699 11.864 -8.457 1.00 53.53 C ATOM 369 CG1 ILE A 25 12.012 11.637 -9.208 1.00 63.20 C ATOM 370 CG2 ILE A 25 10.479 13.348 -8.201 1.00 72.13 C ATOM 371 CD1 ILE A 25 11.949 10.502 -10.206 1.00 61.10 C ATOM 0 H ILE A 25 10.797 9.370 -8.330 1.00 53.34 H new ATOM 0 HA ILE A 25 11.557 11.402 -6.534 1.00 33.53 H new ATOM 0 HB ILE A 25 9.880 11.496 -9.076 1.00 53.53 H new ATOM 0 HG12 ILE A 25 12.286 12.554 -9.730 1.00 63.20 H new ATOM 0 HG13 ILE A 25 12.803 11.432 -8.487 1.00 63.20 H new ATOM 0 HG21 ILE A 25 10.481 13.885 -9.150 1.00 72.13 H new ATOM 0 HG22 ILE A 25 9.520 13.493 -7.704 1.00 72.13 H new ATOM 0 HG23 ILE A 25 11.278 13.730 -7.566 1.00 72.13 H new ATOM 0 HD11 ILE A 25 12.915 10.399 -10.701 1.00 61.10 H new ATOM 0 HD12 ILE A 25 11.706 9.575 -9.687 1.00 61.10 H new ATOM 0 HD13 ILE A 25 11.181 10.714 -10.950 1.00 61.10 H new ATOM 383 N THR A 26 8.312 10.802 -6.814 1.00 32.01 N ATOM 384 CA THR A 26 7.019 11.014 -6.176 1.00 54.44 C ATOM 385 C THR A 26 6.919 10.244 -4.864 1.00 43.45 C ATOM 386 O THR A 26 6.343 10.730 -3.891 1.00 24.11 O ATOM 387 CB THR A 26 5.861 10.587 -7.098 1.00 52.22 C ATOM 388 OG1 THR A 26 5.119 11.738 -7.519 1.00 25.30 O ATOM 389 CG2 THR A 26 4.934 9.613 -6.387 1.00 21.21 C ATOM 0 H THR A 26 8.289 10.170 -7.614 1.00 32.01 H new ATOM 0 HA THR A 26 6.938 12.082 -5.974 1.00 54.44 H new ATOM 0 HB THR A 26 6.285 10.090 -7.970 1.00 52.22 H new ATOM 0 HG1 THR A 26 4.386 11.458 -8.106 1.00 25.30 H new ATOM 0 HG21 THR A 26 4.124 9.326 -7.058 1.00 21.21 H new ATOM 0 HG22 THR A 26 5.495 8.725 -6.094 1.00 21.21 H new ATOM 0 HG23 THR A 26 4.518 10.089 -5.499 1.00 21.21 H new ATOM 397 N SER A 27 7.485 9.042 -4.845 1.00 73.33 N ATOM 398 CA SER A 27 7.457 8.203 -3.653 1.00 31.12 C ATOM 399 C SER A 27 8.146 8.899 -2.483 1.00 34.11 C ATOM 400 O SER A 27 7.775 8.706 -1.325 1.00 31.54 O ATOM 401 CB SER A 27 8.134 6.860 -3.932 1.00 61.24 C ATOM 402 OG SER A 27 7.597 5.837 -3.112 1.00 13.12 O ATOM 0 H SER A 27 7.969 8.627 -5.642 1.00 73.33 H new ATOM 0 HA SER A 27 6.415 8.028 -3.387 1.00 31.12 H new ATOM 0 HB2 SER A 27 8.004 6.595 -4.981 1.00 61.24 H new ATOM 0 HB3 SER A 27 9.206 6.946 -3.756 1.00 61.24 H new ATOM 0 HG SER A 27 7.901 4.964 -3.437 1.00 13.12 H new ATOM 408 N CYS A 28 9.151 9.710 -2.794 1.00 40.11 N ATOM 409 CA CYS A 28 9.894 10.436 -1.771 1.00 33.33 C ATOM 410 C CYS A 28 9.058 11.577 -1.198 1.00 35.50 C ATOM 411 O CYS A 28 9.020 11.784 0.015 1.00 51.33 O ATOM 412 CB CYS A 28 11.198 10.986 -2.351 1.00 52.22 C ATOM 413 SG CYS A 28 12.695 10.429 -1.476 1.00 30.22 S ATOM 0 H CYS A 28 9.470 9.881 -3.748 1.00 40.11 H new ATOM 0 HA CYS A 28 10.128 9.740 -0.965 1.00 33.33 H new ATOM 0 HB2 CYS A 28 11.271 10.690 -3.398 1.00 52.22 H new ATOM 0 HB3 CYS A 28 11.162 12.075 -2.329 1.00 52.22 H new ATOM 418 N SER A 29 8.388 12.313 -2.079 1.00 63.34 N ATOM 419 CA SER A 29 7.555 13.435 -1.663 1.00 23.34 C ATOM 420 C SER A 29 6.505 12.985 -0.652 1.00 12.33 C ATOM 421 O SER A 29 6.117 13.744 0.236 1.00 5.31 O ATOM 422 CB SER A 29 6.873 14.069 -2.876 1.00 42.31 C ATOM 423 OG SER A 29 6.663 15.456 -2.676 1.00 12.24 O ATOM 0 H SER A 29 8.406 12.152 -3.086 1.00 63.34 H new ATOM 0 HA SER A 29 8.197 14.177 -1.188 1.00 23.34 H new ATOM 0 HB2 SER A 29 7.487 13.915 -3.764 1.00 42.31 H new ATOM 0 HB3 SER A 29 5.918 13.576 -3.059 1.00 42.31 H new ATOM 0 HG SER A 29 6.227 15.838 -3.466 1.00 12.24 H new ATOM 429 N MET A 30 6.048 11.745 -0.794 1.00 41.41 N ATOM 430 CA MET A 30 5.043 11.193 0.107 1.00 1.40 C ATOM 431 C MET A 30 5.646 10.896 1.476 1.00 34.34 C ATOM 432 O MET A 30 4.922 10.708 2.454 1.00 4.44 O ATOM 433 CB MET A 30 4.441 9.918 -0.486 1.00 54.31 C ATOM 434 CG MET A 30 4.204 9.998 -1.986 1.00 2.44 C ATOM 435 SD MET A 30 2.614 9.304 -2.476 1.00 64.42 S ATOM 436 CE MET A 30 1.488 10.498 -1.761 1.00 14.04 C ATOM 0 H MET A 30 6.358 11.104 -1.524 1.00 41.41 H new ATOM 0 HA MET A 30 4.254 11.935 0.230 1.00 1.40 H new ATOM 0 HB2 MET A 30 5.106 9.080 -0.276 1.00 54.31 H new ATOM 0 HB3 MET A 30 3.495 9.707 0.012 1.00 54.31 H new ATOM 0 HG2 MET A 30 4.254 11.040 -2.303 1.00 2.44 H new ATOM 0 HG3 MET A 30 5.003 9.468 -2.505 1.00 2.44 H new ATOM 0 HE1 MET A 30 0.530 10.450 -2.278 1.00 14.04 H new ATOM 0 HE2 MET A 30 1.342 10.273 -0.705 1.00 14.04 H new ATOM 0 HE3 MET A 30 1.906 11.499 -1.864 1.00 14.04 H new ATOM 446 N GLN A 31 6.973 10.853 1.538 1.00 54.53 N ATOM 447 CA GLN A 31 7.671 10.577 2.788 1.00 53.43 C ATOM 448 C GLN A 31 8.337 11.838 3.329 1.00 14.02 C ATOM 449 O GLN A 31 9.237 11.766 4.165 1.00 54.02 O ATOM 450 CB GLN A 31 8.718 9.482 2.580 1.00 30.13 C ATOM 451 CG GLN A 31 8.366 8.507 1.469 1.00 62.54 C ATOM 452 CD GLN A 31 8.567 7.060 1.876 1.00 14.22 C ATOM 453 OE1 GLN A 31 9.420 6.352 1.146 1.00 54.24 O flip ATOM 454 NE2 GLN A 31 7.961 6.584 2.837 1.00 3.03 N flip ATOM 0 H GLN A 31 7.586 11.006 0.737 1.00 54.53 H new ATOM 0 HA GLN A 31 6.937 10.234 3.517 1.00 53.43 H new ATOM 0 HB2 GLN A 31 9.678 9.947 2.354 1.00 30.13 H new ATOM 0 HB3 GLN A 31 8.843 8.929 3.511 1.00 30.13 H new ATOM 0 HG2 GLN A 31 7.327 8.657 1.175 1.00 62.54 H new ATOM 0 HG3 GLN A 31 8.979 8.723 0.594 1.00 62.54 H new ATOM 0 HE21 GLN A 31 7.314 7.165 3.371 1.00 3.03 H new ATOM 0 HE22 GLN A 31 8.106 5.609 3.099 1.00 3.03 H new ATOM 463 N ASN A 32 7.888 12.992 2.847 1.00 51.33 N ATOM 464 CA ASN A 32 8.441 14.269 3.282 1.00 44.50 C ATOM 465 C ASN A 32 9.898 14.407 2.849 1.00 20.24 C ATOM 466 O ASN A 32 10.729 14.935 3.588 1.00 5.04 O ATOM 467 CB ASN A 32 8.334 14.404 4.802 1.00 24.23 C ATOM 468 CG ASN A 32 7.933 15.801 5.232 1.00 14.44 C ATOM 469 OD1 ASN A 32 7.007 15.977 6.025 1.00 2.01 O ATOM 470 ND2 ASN A 32 8.629 16.804 4.710 1.00 53.24 N ATOM 0 H ASN A 32 7.143 13.069 2.155 1.00 51.33 H new ATOM 0 HA ASN A 32 7.864 15.065 2.812 1.00 44.50 H new ATOM 0 HB2 ASN A 32 7.603 13.688 5.177 1.00 24.23 H new ATOM 0 HB3 ASN A 32 9.292 14.148 5.255 1.00 24.23 H new ATOM 0 HD21 ASN A 32 8.404 17.766 4.962 1.00 53.24 H new ATOM 0 HD22 ASN A 32 9.388 16.612 4.057 1.00 53.24 H new ATOM 477 N CYS A 33 10.200 13.928 1.647 1.00 1.31 N ATOM 478 CA CYS A 33 11.555 13.997 1.115 1.00 44.05 C ATOM 479 C CYS A 33 11.672 15.097 0.063 1.00 13.13 C ATOM 480 O CYS A 33 10.744 15.880 -0.137 1.00 32.32 O ATOM 481 CB CYS A 33 11.956 12.651 0.507 1.00 51.32 C ATOM 482 SG CYS A 33 12.129 11.308 1.725 1.00 63.44 S ATOM 0 H CYS A 33 9.524 13.488 1.023 1.00 1.31 H new ATOM 0 HA CYS A 33 12.230 14.232 1.938 1.00 44.05 H new ATOM 0 HB2 CYS A 33 11.210 12.362 -0.233 1.00 51.32 H new ATOM 0 HB3 CYS A 33 12.901 12.771 -0.023 1.00 51.32 H new ATOM 487 N GLY A 34 12.819 15.149 -0.606 1.00 43.43 N ATOM 488 CA GLY A 34 13.036 16.156 -1.629 1.00 3.23 C ATOM 489 C GLY A 34 13.023 15.574 -3.028 1.00 60.31 C ATOM 490 O GLY A 34 12.229 15.987 -3.874 1.00 30.11 O ATOM 0 H GLY A 34 13.602 14.512 -0.458 1.00 43.43 H new ATOM 0 HA2 GLY A 34 12.264 16.922 -1.550 1.00 3.23 H new ATOM 0 HA3 GLY A 34 13.992 16.648 -1.453 1.00 3.23 H new ATOM 494 N THR A 35 13.906 14.611 -3.275 1.00 42.23 N ATOM 495 CA THR A 35 13.995 13.973 -4.582 1.00 63.14 C ATOM 496 C THR A 35 14.380 12.504 -4.452 1.00 20.32 C ATOM 497 O THR A 35 14.558 11.994 -3.346 1.00 54.32 O ATOM 498 CB THR A 35 15.022 14.682 -5.485 1.00 50.53 C ATOM 499 OG1 THR A 35 14.869 14.243 -6.840 1.00 4.43 O ATOM 500 CG2 THR A 35 16.441 14.404 -5.013 1.00 41.14 C ATOM 0 H THR A 35 14.570 14.256 -2.586 1.00 42.23 H new ATOM 0 HA THR A 35 13.008 14.049 -5.038 1.00 63.14 H new ATOM 0 HB THR A 35 14.842 15.756 -5.429 1.00 50.53 H new ATOM 0 HG1 THR A 35 15.524 14.700 -7.408 1.00 4.43 H new ATOM 0 HG21 THR A 35 17.148 14.915 -5.666 1.00 41.14 H new ATOM 0 HG22 THR A 35 16.562 14.766 -3.992 1.00 41.14 H new ATOM 0 HG23 THR A 35 16.630 13.331 -5.042 1.00 41.14 H new ATOM 508 N GLY A 36 14.508 11.827 -5.589 1.00 62.31 N ATOM 509 CA GLY A 36 14.872 10.422 -5.579 1.00 70.11 C ATOM 510 C GLY A 36 15.199 9.898 -6.963 1.00 61.14 C ATOM 511 O GLY A 36 14.431 10.092 -7.905 1.00 71.34 O ATOM 0 H GLY A 36 14.366 12.226 -6.517 1.00 62.31 H new ATOM 0 HA2 GLY A 36 15.733 10.278 -4.926 1.00 70.11 H new ATOM 0 HA3 GLY A 36 14.052 9.840 -5.158 1.00 70.11 H new ATOM 515 N SER A 37 16.343 9.233 -7.088 1.00 5.33 N ATOM 516 CA SER A 37 16.773 8.684 -8.368 1.00 44.55 C ATOM 517 C SER A 37 16.955 7.172 -8.278 1.00 40.31 C ATOM 518 O SER A 37 17.382 6.647 -7.250 1.00 22.23 O ATOM 519 CB SER A 37 18.081 9.341 -8.815 1.00 62.23 C ATOM 520 OG SER A 37 18.106 9.523 -10.220 1.00 40.54 O ATOM 0 H SER A 37 16.989 9.061 -6.318 1.00 5.33 H new ATOM 0 HA SER A 37 15.998 8.895 -9.105 1.00 44.55 H new ATOM 0 HB2 SER A 37 18.196 10.304 -8.318 1.00 62.23 H new ATOM 0 HB3 SER A 37 18.925 8.722 -8.510 1.00 62.23 H new ATOM 0 HG SER A 37 18.951 9.946 -10.480 1.00 40.54 H new ATOM 526 N CYS A 38 16.627 6.478 -9.362 1.00 62.44 N ATOM 527 CA CYS A 38 16.753 5.026 -9.408 1.00 33.11 C ATOM 528 C CYS A 38 17.834 4.604 -10.398 1.00 44.22 C ATOM 529 O CYS A 38 17.980 5.199 -11.467 1.00 21.45 O ATOM 530 CB CYS A 38 15.416 4.389 -9.794 1.00 41.42 C ATOM 531 SG CYS A 38 14.939 4.658 -11.532 1.00 23.12 S ATOM 0 H CYS A 38 16.272 6.898 -10.221 1.00 62.44 H new ATOM 0 HA CYS A 38 17.040 4.680 -8.415 1.00 33.11 H new ATOM 0 HB2 CYS A 38 15.468 3.317 -9.604 1.00 41.42 H new ATOM 0 HB3 CYS A 38 14.635 4.789 -9.148 1.00 41.42 H new ATOM 536 N LYS A 39 18.591 3.574 -10.036 1.00 22.12 N ATOM 537 CA LYS A 39 19.659 3.070 -10.891 1.00 70.03 C ATOM 538 C LYS A 39 19.792 1.556 -10.760 1.00 43.14 C ATOM 539 O LYS A 39 19.553 0.991 -9.693 1.00 52.10 O ATOM 540 CB LYS A 39 20.987 3.742 -10.534 1.00 54.33 C ATOM 541 CG LYS A 39 20.884 5.250 -10.387 1.00 2.55 C ATOM 542 CD LYS A 39 22.210 5.861 -9.964 1.00 62.31 C ATOM 543 CE LYS A 39 22.259 7.351 -10.264 1.00 73.02 C ATOM 544 NZ LYS A 39 23.559 7.753 -10.869 1.00 33.00 N ATOM 0 H LYS A 39 18.484 3.071 -9.155 1.00 22.12 H new ATOM 0 HA LYS A 39 19.405 3.307 -11.924 1.00 70.03 H new ATOM 0 HB2 LYS A 39 21.360 3.319 -9.601 1.00 54.33 H new ATOM 0 HB3 LYS A 39 21.721 3.510 -11.305 1.00 54.33 H new ATOM 0 HG2 LYS A 39 20.566 5.688 -11.333 1.00 2.55 H new ATOM 0 HG3 LYS A 39 20.119 5.493 -9.650 1.00 2.55 H new ATOM 0 HD2 LYS A 39 22.363 5.699 -8.897 1.00 62.31 H new ATOM 0 HD3 LYS A 39 23.026 5.357 -10.483 1.00 62.31 H new ATOM 0 HE2 LYS A 39 21.447 7.612 -10.943 1.00 73.02 H new ATOM 0 HE3 LYS A 39 22.098 7.912 -9.344 1.00 73.02 H new ATOM 0 HZ1 LYS A 39 23.552 8.776 -11.058 1.00 33.00 H new ATOM 0 HZ2 LYS A 39 24.332 7.528 -10.211 1.00 33.00 H new ATOM 0 HZ3 LYS A 39 23.701 7.237 -11.760 1.00 33.00 H new ATOM 558 N LYS A 40 20.177 0.904 -11.852 1.00 44.13 N ATOM 559 CA LYS A 40 20.346 -0.544 -11.860 1.00 32.23 C ATOM 560 C LYS A 40 21.522 -0.960 -10.982 1.00 44.34 C ATOM 561 O LYS A 40 22.677 -0.679 -11.303 1.00 64.34 O ATOM 562 CB LYS A 40 20.560 -1.046 -13.290 1.00 32.05 C ATOM 563 CG LYS A 40 19.335 -1.716 -13.888 1.00 65.45 C ATOM 564 CD LYS A 40 18.964 -2.979 -13.130 1.00 31.33 C ATOM 565 CE LYS A 40 18.226 -3.967 -14.020 1.00 33.44 C ATOM 566 NZ LYS A 40 19.063 -4.413 -15.168 1.00 0.42 N ATOM 0 H LYS A 40 20.378 1.356 -12.744 1.00 44.13 H new ATOM 0 HA LYS A 40 19.438 -0.992 -11.457 1.00 32.23 H new ATOM 0 HB2 LYS A 40 20.849 -0.206 -13.922 1.00 32.05 H new ATOM 0 HB3 LYS A 40 21.390 -1.752 -13.298 1.00 32.05 H new ATOM 0 HG2 LYS A 40 18.495 -1.021 -13.872 1.00 65.45 H new ATOM 0 HG3 LYS A 40 19.527 -1.961 -14.933 1.00 65.45 H new ATOM 0 HD2 LYS A 40 19.866 -3.446 -12.736 1.00 31.33 H new ATOM 0 HD3 LYS A 40 18.339 -2.721 -12.275 1.00 31.33 H new ATOM 0 HE2 LYS A 40 17.927 -4.834 -13.430 1.00 33.44 H new ATOM 0 HE3 LYS A 40 17.312 -3.506 -14.395 1.00 33.44 H new ATOM 0 HZ1 LYS A 40 18.854 -5.409 -15.384 1.00 0.42 H new ATOM 0 HZ2 LYS A 40 18.852 -3.826 -16.000 1.00 0.42 H new ATOM 0 HZ3 LYS A 40 20.069 -4.316 -14.923 1.00 0.42 H new ATOM 580 N ARG A 41 21.221 -1.630 -9.875 1.00 63.22 N ATOM 581 CA ARG A 41 22.255 -2.084 -8.952 1.00 75.43 C ATOM 582 C ARG A 41 22.542 -3.570 -9.147 1.00 24.21 C ATOM 583 O ARG A 41 21.709 -4.420 -8.834 1.00 70.31 O ATOM 584 CB ARG A 41 21.828 -1.822 -7.507 1.00 4.43 C ATOM 585 CG ARG A 41 21.608 -0.350 -7.194 1.00 63.45 C ATOM 586 CD ARG A 41 22.896 0.447 -7.331 1.00 61.22 C ATOM 587 NE ARG A 41 23.892 0.052 -6.338 1.00 51.44 N ATOM 588 CZ ARG A 41 23.891 0.488 -5.083 1.00 70.24 C ATOM 589 NH1 ARG A 41 22.951 1.327 -4.670 1.00 63.20 N ATOM 590 NH2 ARG A 41 24.831 0.083 -4.239 1.00 1.32 N ATOM 0 H ARG A 41 20.270 -1.871 -9.595 1.00 63.22 H new ATOM 0 HA ARG A 41 23.167 -1.524 -9.162 1.00 75.43 H new ATOM 0 HB2 ARG A 41 20.908 -2.369 -7.304 1.00 4.43 H new ATOM 0 HB3 ARG A 41 22.589 -2.218 -6.835 1.00 4.43 H new ATOM 0 HG2 ARG A 41 20.853 0.057 -7.867 1.00 63.45 H new ATOM 0 HG3 ARG A 41 21.221 -0.246 -6.180 1.00 63.45 H new ATOM 0 HD2 ARG A 41 23.305 0.305 -8.331 1.00 61.22 H new ATOM 0 HD3 ARG A 41 22.678 1.510 -7.223 1.00 61.22 H new ATOM 0 HE ARG A 41 24.628 -0.594 -6.624 1.00 51.44 H new ATOM 0 HH11 ARG A 41 22.226 1.639 -5.316 1.00 63.20 H new ATOM 0 HH12 ARG A 41 22.953 1.660 -3.706 1.00 63.20 H new ATOM 0 HH21 ARG A 41 25.555 -0.563 -4.554 1.00 1.32 H new ATOM 0 HH22 ARG A 41 24.830 0.418 -3.276 1.00 1.32 H new ATOM 604 N SER A 42 23.728 -3.875 -9.666 1.00 35.02 N ATOM 605 CA SER A 42 24.124 -5.258 -9.906 1.00 52.44 C ATOM 606 C SER A 42 23.111 -5.965 -10.801 1.00 70.25 C ATOM 607 O SER A 42 22.871 -7.163 -10.660 1.00 34.34 O ATOM 608 CB SER A 42 24.262 -6.009 -8.581 1.00 3.32 C ATOM 609 OG SER A 42 25.351 -6.914 -8.619 1.00 65.41 O ATOM 0 H SER A 42 24.430 -3.183 -9.928 1.00 35.02 H new ATOM 0 HA SER A 42 25.089 -5.251 -10.413 1.00 52.44 H new ATOM 0 HB2 SER A 42 24.405 -5.296 -7.769 1.00 3.32 H new ATOM 0 HB3 SER A 42 23.341 -6.552 -8.370 1.00 3.32 H new ATOM 0 HG SER A 42 25.419 -7.380 -7.760 1.00 65.41 H new ATOM 615 N GLY A 43 22.519 -5.213 -11.725 1.00 24.21 N ATOM 616 CA GLY A 43 21.539 -5.784 -12.630 1.00 21.00 C ATOM 617 C GLY A 43 20.160 -5.877 -12.007 1.00 62.24 C ATOM 618 O GLY A 43 19.266 -6.520 -12.557 1.00 54.34 O ATOM 0 H GLY A 43 22.701 -4.219 -11.862 1.00 24.21 H new ATOM 0 HA2 GLY A 43 21.486 -5.177 -13.534 1.00 21.00 H new ATOM 0 HA3 GLY A 43 21.865 -6.779 -12.933 1.00 21.00 H new ATOM 622 N ARG A 44 19.988 -5.236 -10.856 1.00 51.11 N ATOM 623 CA ARG A 44 18.709 -5.252 -10.157 1.00 12.13 C ATOM 624 C ARG A 44 18.112 -3.849 -10.083 1.00 22.44 C ATOM 625 O ARG A 44 18.793 -2.875 -9.762 1.00 14.22 O ATOM 626 CB ARG A 44 18.881 -5.819 -8.747 1.00 25.44 C ATOM 627 CG ARG A 44 19.289 -7.284 -8.725 1.00 55.31 C ATOM 628 CD ARG A 44 18.142 -8.187 -9.152 1.00 0.02 C ATOM 629 NE ARG A 44 18.404 -9.589 -8.838 1.00 60.13 N ATOM 630 CZ ARG A 44 19.177 -10.376 -9.579 1.00 53.21 C ATOM 631 NH1 ARG A 44 19.761 -9.900 -10.670 1.00 55.12 N ATOM 632 NH2 ARG A 44 19.367 -11.641 -9.228 1.00 60.34 N ATOM 0 H ARG A 44 20.718 -4.699 -10.388 1.00 51.11 H new ATOM 0 HA ARG A 44 18.026 -5.890 -10.717 1.00 12.13 H new ATOM 0 HB2 ARG A 44 19.633 -5.233 -8.218 1.00 25.44 H new ATOM 0 HB3 ARG A 44 17.945 -5.703 -8.201 1.00 25.44 H new ATOM 0 HG2 ARG A 44 20.140 -7.436 -9.389 1.00 55.31 H new ATOM 0 HG3 ARG A 44 19.615 -7.557 -7.721 1.00 55.31 H new ATOM 0 HD2 ARG A 44 17.226 -7.869 -8.655 1.00 0.02 H new ATOM 0 HD3 ARG A 44 17.976 -8.080 -10.224 1.00 0.02 H new ATOM 0 HE ARG A 44 17.970 -9.986 -8.005 1.00 60.13 H new ATOM 0 HH11 ARG A 44 19.617 -8.928 -10.942 1.00 55.12 H new ATOM 0 HH12 ARG A 44 20.354 -10.506 -11.237 1.00 55.12 H new ATOM 0 HH21 ARG A 44 18.920 -12.010 -8.389 1.00 60.34 H new ATOM 0 HH22 ARG A 44 19.960 -12.245 -9.797 1.00 60.34 H new ATOM 646 N PRO A 45 16.810 -3.743 -10.387 1.00 21.23 N ATOM 647 CA PRO A 45 16.093 -2.465 -10.362 1.00 2.21 C ATOM 648 C PRO A 45 15.906 -1.932 -8.945 1.00 63.52 C ATOM 649 O PRO A 45 14.934 -2.267 -8.268 1.00 15.21 O ATOM 650 CB PRO A 45 14.739 -2.806 -10.988 1.00 54.41 C ATOM 651 CG PRO A 45 14.560 -4.263 -10.734 1.00 15.51 C ATOM 652 CD PRO A 45 15.937 -4.863 -10.778 1.00 4.02 C ATOM 0 HA PRO A 45 16.637 -1.682 -10.890 1.00 2.21 H new ATOM 0 HB2 PRO A 45 13.936 -2.224 -10.536 1.00 54.41 H new ATOM 0 HB3 PRO A 45 14.730 -2.586 -12.056 1.00 54.41 H new ATOM 0 HG2 PRO A 45 14.090 -4.435 -9.766 1.00 15.51 H new ATOM 0 HG3 PRO A 45 13.914 -4.714 -11.487 1.00 15.51 H new ATOM 0 HD2 PRO A 45 16.031 -5.704 -10.091 1.00 4.02 H new ATOM 0 HD3 PRO A 45 16.182 -5.235 -11.773 1.00 4.02 H new ATOM 660 N THR A 46 16.844 -1.101 -8.502 1.00 21.13 N ATOM 661 CA THR A 46 16.783 -0.523 -7.165 1.00 40.13 C ATOM 662 C THR A 46 16.407 0.953 -7.222 1.00 3.45 C ATOM 663 O THR A 46 16.886 1.694 -8.081 1.00 0.22 O ATOM 664 CB THR A 46 18.127 -0.671 -6.427 1.00 72.11 C ATOM 665 OG1 THR A 46 18.466 -2.057 -6.300 1.00 52.42 O ATOM 666 CG2 THR A 46 18.060 -0.032 -5.048 1.00 42.23 C ATOM 0 H THR A 46 17.655 -0.813 -9.049 1.00 21.13 H new ATOM 0 HA THR A 46 16.015 -1.070 -6.618 1.00 40.13 H new ATOM 0 HB THR A 46 18.895 -0.161 -7.010 1.00 72.11 H new ATOM 0 HG1 THR A 46 19.322 -2.143 -5.831 1.00 52.42 H new ATOM 0 HG21 THR A 46 19.020 -0.149 -4.546 1.00 42.23 H new ATOM 0 HG22 THR A 46 17.830 1.029 -5.149 1.00 42.23 H new ATOM 0 HG23 THR A 46 17.281 -0.517 -4.460 1.00 42.23 H new ATOM 674 N CYS A 47 15.548 1.376 -6.300 1.00 70.13 N ATOM 675 CA CYS A 47 15.108 2.765 -6.244 1.00 74.53 C ATOM 676 C CYS A 47 15.745 3.490 -5.063 1.00 44.31 C ATOM 677 O CYS A 47 15.553 3.108 -3.909 1.00 4.34 O ATOM 678 CB CYS A 47 13.583 2.834 -6.137 1.00 30.03 C ATOM 679 SG CYS A 47 12.825 4.142 -7.153 1.00 13.35 S ATOM 0 H CYS A 47 15.143 0.776 -5.581 1.00 70.13 H new ATOM 0 HA CYS A 47 15.424 3.258 -7.163 1.00 74.53 H new ATOM 0 HB2 CYS A 47 13.165 1.872 -6.432 1.00 30.03 H new ATOM 0 HB3 CYS A 47 13.309 2.994 -5.094 1.00 30.03 H new ATOM 684 N VAL A 48 16.505 4.540 -5.361 1.00 21.33 N ATOM 685 CA VAL A 48 17.170 5.320 -4.324 1.00 44.34 C ATOM 686 C VAL A 48 16.544 6.704 -4.191 1.00 72.30 C ATOM 687 O VAL A 48 16.081 7.285 -5.173 1.00 10.11 O ATOM 688 CB VAL A 48 18.674 5.476 -4.618 1.00 4.23 C ATOM 689 CG1 VAL A 48 19.432 5.832 -3.348 1.00 22.12 C ATOM 690 CG2 VAL A 48 19.230 4.205 -5.241 1.00 73.43 C ATOM 0 H VAL A 48 16.675 4.869 -6.311 1.00 21.33 H new ATOM 0 HA VAL A 48 17.044 4.776 -3.388 1.00 44.34 H new ATOM 0 HB VAL A 48 18.804 6.290 -5.331 1.00 4.23 H new ATOM 0 HG11 VAL A 48 20.493 5.938 -3.575 1.00 22.12 H new ATOM 0 HG12 VAL A 48 19.051 6.772 -2.948 1.00 22.12 H new ATOM 0 HG13 VAL A 48 19.296 5.042 -2.610 1.00 22.12 H new ATOM 0 HG21 VAL A 48 20.294 4.333 -5.442 1.00 73.43 H new ATOM 0 HG22 VAL A 48 19.089 3.371 -4.554 1.00 73.43 H new ATOM 0 HG23 VAL A 48 18.707 3.998 -6.175 1.00 73.43 H new ATOM 700 N CYS A 49 16.532 7.227 -2.970 1.00 24.34 N ATOM 701 CA CYS A 49 15.963 8.543 -2.706 1.00 32.52 C ATOM 702 C CYS A 49 17.039 9.517 -2.235 1.00 31.43 C ATOM 703 O CYS A 49 18.152 9.113 -1.898 1.00 21.34 O ATOM 704 CB CYS A 49 14.856 8.441 -1.655 1.00 31.24 C ATOM 705 SG CYS A 49 13.188 8.795 -2.295 1.00 34.21 S ATOM 0 H CYS A 49 16.910 6.759 -2.147 1.00 24.34 H new ATOM 0 HA CYS A 49 15.538 8.921 -3.636 1.00 32.52 H new ATOM 0 HB2 CYS A 49 14.865 7.437 -1.230 1.00 31.24 H new ATOM 0 HB3 CYS A 49 15.076 9.133 -0.843 1.00 31.24 H new ATOM 710 N TYR A 50 16.699 10.800 -2.214 1.00 55.40 N ATOM 711 CA TYR A 50 17.635 11.833 -1.787 1.00 23.45 C ATOM 712 C TYR A 50 16.894 13.053 -1.249 1.00 74.23 C ATOM 713 O TYR A 50 15.669 13.137 -1.337 1.00 75.22 O ATOM 714 CB TYR A 50 18.540 12.243 -2.950 1.00 0.14 C ATOM 715 CG TYR A 50 19.424 11.125 -3.453 1.00 25.33 C ATOM 716 CD1 TYR A 50 20.676 10.898 -2.894 1.00 23.13 C ATOM 717 CD2 TYR A 50 19.009 10.296 -4.487 1.00 62.33 C ATOM 718 CE1 TYR A 50 21.488 9.878 -3.350 1.00 62.35 C ATOM 719 CE2 TYR A 50 19.814 9.272 -4.949 1.00 52.34 C ATOM 720 CZ TYR A 50 21.052 9.067 -4.378 1.00 43.40 C ATOM 721 OH TYR A 50 21.857 8.050 -4.837 1.00 24.15 O ATOM 0 H TYR A 50 15.781 11.150 -2.488 1.00 55.40 H new ATOM 0 HA TYR A 50 18.249 11.422 -0.985 1.00 23.45 H new ATOM 0 HB2 TYR A 50 17.921 12.603 -3.772 1.00 0.14 H new ATOM 0 HB3 TYR A 50 19.167 13.077 -2.635 1.00 0.14 H new ATOM 0 HD1 TYR A 50 21.020 11.530 -2.089 1.00 23.13 H new ATOM 0 HD2 TYR A 50 18.040 10.454 -4.938 1.00 62.33 H new ATOM 0 HE1 TYR A 50 22.458 9.716 -2.905 1.00 62.35 H new ATOM 0 HE2 TYR A 50 19.475 8.636 -5.753 1.00 52.34 H new ATOM 0 HH TYR A 50 21.401 7.574 -5.562 1.00 24.15 H new ATOM 731 N ARG A 51 17.646 13.997 -0.693 1.00 71.23 N ATOM 732 CA ARG A 51 17.061 15.213 -0.141 1.00 23.21 C ATOM 733 C ARG A 51 15.917 14.881 0.813 1.00 40.43 C ATOM 734 O ARG A 51 14.989 15.672 0.984 1.00 14.01 O ATOM 735 CB ARG A 51 16.556 16.118 -1.266 1.00 32.20 C ATOM 736 CG ARG A 51 17.630 16.495 -2.273 1.00 72.34 C ATOM 737 CD ARG A 51 17.515 17.952 -2.691 1.00 0.42 C ATOM 738 NE ARG A 51 18.820 18.603 -2.773 1.00 22.40 N ATOM 739 CZ ARG A 51 19.494 19.035 -1.713 1.00 32.01 C ATOM 740 NH1 ARG A 51 18.988 18.887 -0.496 1.00 62.42 N ATOM 741 NH2 ARG A 51 20.676 19.617 -1.869 1.00 22.24 N ATOM 0 H ARG A 51 18.661 13.943 -0.613 1.00 71.23 H new ATOM 0 HA ARG A 51 17.836 15.738 0.417 1.00 23.21 H new ATOM 0 HB2 ARG A 51 15.742 15.615 -1.787 1.00 32.20 H new ATOM 0 HB3 ARG A 51 16.142 17.028 -0.831 1.00 32.20 H new ATOM 0 HG2 ARG A 51 18.614 16.316 -1.841 1.00 72.34 H new ATOM 0 HG3 ARG A 51 17.547 15.856 -3.152 1.00 72.34 H new ATOM 0 HD2 ARG A 51 17.018 18.013 -3.659 1.00 0.42 H new ATOM 0 HD3 ARG A 51 16.888 18.486 -1.977 1.00 0.42 H new ATOM 0 HE ARG A 51 19.237 18.733 -3.695 1.00 22.40 H new ATOM 0 HH11 ARG A 51 18.079 18.441 -0.372 1.00 62.42 H new ATOM 0 HH12 ARG A 51 19.508 19.220 0.316 1.00 62.42 H new ATOM 0 HH21 ARG A 51 21.068 19.733 -2.804 1.00 22.24 H new ATOM 0 HH22 ARG A 51 21.193 19.948 -1.054 1.00 22.24 H new ATOM 755 N CYS A 52 15.990 13.707 1.431 1.00 51.34 N ATOM 756 CA CYS A 52 14.961 13.270 2.366 1.00 71.30 C ATOM 757 C CYS A 52 15.025 14.074 3.661 1.00 5.11 C ATOM 758 O CYS A 52 15.923 14.895 3.850 1.00 54.12 O ATOM 759 CB CYS A 52 15.120 11.779 2.670 1.00 34.34 C ATOM 760 SG CYS A 52 13.543 10.885 2.853 1.00 53.21 S ATOM 0 H CYS A 52 16.752 13.041 1.301 1.00 51.34 H new ATOM 0 HA CYS A 52 13.989 13.439 1.903 1.00 71.30 H new ATOM 0 HB2 CYS A 52 15.697 11.316 1.870 1.00 34.34 H new ATOM 0 HB3 CYS A 52 15.698 11.666 3.587 1.00 34.34 H new ATOM 765 N ALA A 53 14.068 13.832 4.550 1.00 32.41 N ATOM 766 CA ALA A 53 14.017 14.531 5.828 1.00 52.01 C ATOM 767 C ALA A 53 14.421 13.610 6.974 1.00 2.32 C ATOM 768 O ALA A 53 14.978 14.058 7.976 1.00 51.34 O ATOM 769 CB ALA A 53 12.623 15.093 6.067 1.00 43.34 C ATOM 0 H ALA A 53 13.317 13.157 4.409 1.00 32.41 H new ATOM 0 HA ALA A 53 14.728 15.356 5.791 1.00 52.01 H new ATOM 0 HB1 ALA A 53 12.599 15.612 7.025 1.00 43.34 H new ATOM 0 HB2 ALA A 53 12.371 15.792 5.269 1.00 43.34 H new ATOM 0 HB3 ALA A 53 11.899 14.278 6.078 1.00 43.34 H new ATOM 775 N ASN A 54 14.137 12.321 6.820 1.00 13.22 N ATOM 776 CA ASN A 54 14.470 11.337 7.844 1.00 40.31 C ATOM 777 C ASN A 54 15.851 10.739 7.594 1.00 1.12 C ATOM 778 O ASN A 54 16.179 9.671 8.110 1.00 42.32 O ATOM 779 CB ASN A 54 13.419 10.226 7.875 1.00 54.25 C ATOM 780 CG ASN A 54 13.190 9.685 9.273 1.00 51.04 C ATOM 781 OD1 ASN A 54 12.389 10.225 10.036 1.00 3.11 O ATOM 782 ND2 ASN A 54 13.895 8.613 9.614 1.00 33.33 N ATOM 0 H ASN A 54 13.677 11.933 5.996 1.00 13.22 H new ATOM 0 HA ASN A 54 14.482 11.843 8.809 1.00 40.31 H new ATOM 0 HB2 ASN A 54 12.479 10.608 7.478 1.00 54.25 H new ATOM 0 HB3 ASN A 54 13.734 9.413 7.221 1.00 54.25 H new ATOM 0 HD21 ASN A 54 13.784 8.203 10.542 1.00 33.33 H new ATOM 0 HD22 ASN A 54 14.548 8.199 8.948 1.00 33.33 H new ATOM 789 N GLY A 55 16.657 11.436 6.799 1.00 4.32 N ATOM 790 CA GLY A 55 17.994 10.959 6.495 1.00 13.12 C ATOM 791 C GLY A 55 18.750 11.899 5.577 1.00 30.40 C ATOM 792 O GLY A 55 19.974 11.997 5.650 1.00 41.13 O ATOM 0 H GLY A 55 16.408 12.322 6.360 1.00 4.32 H new ATOM 0 HA2 GLY A 55 18.552 10.835 7.423 1.00 13.12 H new ATOM 0 HA3 GLY A 55 17.928 9.976 6.029 1.00 13.12 H new ATOM 796 N GLY A 56 18.019 12.591 4.708 1.00 31.52 N ATOM 797 CA GLY A 56 18.646 13.516 3.783 1.00 53.31 C ATOM 798 C GLY A 56 19.675 12.843 2.897 1.00 74.23 C ATOM 799 O GLY A 56 20.855 13.188 2.931 1.00 31.11 O ATOM 0 H GLY A 56 17.004 12.527 4.629 1.00 31.52 H new ATOM 0 HA2 GLY A 56 17.880 13.976 3.159 1.00 53.31 H new ATOM 0 HA3 GLY A 56 19.124 14.318 4.345 1.00 53.31 H new ATOM 803 N GLY A 57 19.226 11.877 2.101 1.00 64.44 N ATOM 804 CA GLY A 57 20.130 11.167 1.214 1.00 20.11 C ATOM 805 C GLY A 57 19.559 9.845 0.741 1.00 30.23 C ATOM 806 O GLY A 57 18.355 9.727 0.513 1.00 40.25 O ATOM 0 H GLY A 57 18.253 11.574 2.054 1.00 64.44 H new ATOM 0 HA2 GLY A 57 20.352 11.793 0.350 1.00 20.11 H new ATOM 0 HA3 GLY A 57 21.074 10.988 1.729 1.00 20.11 H new ATOM 810 N ASP A 58 20.424 8.848 0.593 1.00 62.12 N ATOM 811 CA ASP A 58 19.999 7.527 0.143 1.00 3.22 C ATOM 812 C ASP A 58 19.075 6.876 1.167 1.00 22.13 C ATOM 813 O ASP A 58 19.523 6.417 2.219 1.00 41.34 O ATOM 814 CB ASP A 58 21.216 6.634 -0.106 1.00 34.14 C ATOM 815 CG ASP A 58 22.202 6.664 1.046 1.00 55.42 C ATOM 816 OD1 ASP A 58 22.917 7.678 1.188 1.00 43.13 O ATOM 817 OD2 ASP A 58 22.257 5.675 1.805 1.00 14.14 O ATOM 0 H ASP A 58 21.424 8.929 0.778 1.00 62.12 H new ATOM 0 HA ASP A 58 19.449 7.647 -0.791 1.00 3.22 H new ATOM 0 HB2 ASP A 58 20.883 5.609 -0.269 1.00 34.14 H new ATOM 0 HB3 ASP A 58 21.718 6.955 -1.019 1.00 34.14 H new ATOM 822 N ILE A 59 17.785 6.840 0.853 1.00 34.14 N ATOM 823 CA ILE A 59 16.798 6.245 1.746 1.00 21.14 C ATOM 824 C ILE A 59 15.777 5.422 0.968 1.00 41.33 C ATOM 825 O ILE A 59 14.942 5.955 0.237 1.00 74.43 O ATOM 826 CB ILE A 59 16.058 7.320 2.564 1.00 21.12 C ATOM 827 CG1 ILE A 59 17.044 8.373 3.073 1.00 42.52 C ATOM 828 CG2 ILE A 59 15.311 6.681 3.726 1.00 44.14 C ATOM 829 CD1 ILE A 59 17.852 7.918 4.268 1.00 64.14 C ATOM 0 H ILE A 59 17.398 7.216 -0.013 1.00 34.14 H new ATOM 0 HA ILE A 59 17.343 5.592 2.428 1.00 21.14 H new ATOM 0 HB ILE A 59 15.332 7.812 1.917 1.00 21.12 H new ATOM 0 HG12 ILE A 59 17.725 8.642 2.265 1.00 42.52 H new ATOM 0 HG13 ILE A 59 16.494 9.275 3.339 1.00 42.52 H new ATOM 0 HG21 ILE A 59 14.793 7.454 4.295 1.00 44.14 H new ATOM 0 HG22 ILE A 59 14.585 5.965 3.342 1.00 44.14 H new ATOM 0 HG23 ILE A 59 16.020 6.166 4.375 1.00 44.14 H new ATOM 0 HD11 ILE A 59 18.529 8.715 4.574 1.00 64.14 H new ATOM 0 HD12 ILE A 59 17.180 7.677 5.091 1.00 64.14 H new ATOM 0 HD13 ILE A 59 18.430 7.033 4.001 1.00 64.14 H new ATOM 841 N PRO A 60 15.843 4.092 1.128 1.00 50.23 N ATOM 842 CA PRO A 60 14.930 3.167 0.450 1.00 41.23 C ATOM 843 C PRO A 60 13.506 3.260 0.987 1.00 21.22 C ATOM 844 O PRO A 60 13.292 3.606 2.150 1.00 73.42 O ATOM 845 CB PRO A 60 15.528 1.791 0.754 1.00 3.53 C ATOM 846 CG PRO A 60 16.287 1.981 2.022 1.00 24.21 C ATOM 847 CD PRO A 60 16.813 3.389 1.983 1.00 4.04 C ATOM 0 HA PRO A 60 14.846 3.384 -0.615 1.00 41.23 H new ATOM 0 HB2 PRO A 60 14.749 1.037 0.868 1.00 3.53 H new ATOM 0 HB3 PRO A 60 16.181 1.456 -0.052 1.00 3.53 H new ATOM 0 HG2 PRO A 60 15.643 1.829 2.888 1.00 24.21 H new ATOM 0 HG3 PRO A 60 17.102 1.262 2.100 1.00 24.21 H new ATOM 0 HD2 PRO A 60 16.862 3.827 2.980 1.00 4.04 H new ATOM 0 HD3 PRO A 60 17.820 3.431 1.567 1.00 4.04 H new ATOM 855 N LEU A 61 12.536 2.949 0.135 1.00 32.51 N ATOM 856 CA LEU A 61 11.131 2.996 0.525 1.00 52.01 C ATOM 857 C LEU A 61 10.896 2.210 1.811 1.00 54.21 C ATOM 858 O LEU A 61 9.917 2.440 2.520 1.00 21.45 O ATOM 859 CB LEU A 61 10.251 2.438 -0.595 1.00 42.03 C ATOM 860 CG LEU A 61 9.609 3.471 -1.522 1.00 62.13 C ATOM 861 CD1 LEU A 61 8.486 4.205 -0.807 1.00 75.30 C ATOM 862 CD2 LEU A 61 10.654 4.455 -2.029 1.00 34.12 C ATOM 0 H LEU A 61 12.696 2.662 -0.830 1.00 32.51 H new ATOM 0 HA LEU A 61 10.864 4.038 0.704 1.00 52.01 H new ATOM 0 HB2 LEU A 61 10.854 1.761 -1.200 1.00 42.03 H new ATOM 0 HB3 LEU A 61 9.458 1.842 -0.144 1.00 42.03 H new ATOM 0 HG LEU A 61 9.185 2.948 -2.379 1.00 62.13 H new ATOM 0 HD11 LEU A 61 8.041 4.936 -1.482 1.00 75.30 H new ATOM 0 HD12 LEU A 61 7.725 3.490 -0.494 1.00 75.30 H new ATOM 0 HD13 LEU A 61 8.885 4.716 0.069 1.00 75.30 H new ATOM 0 HD21 LEU A 61 10.179 5.183 -2.687 1.00 34.12 H new ATOM 0 HD22 LEU A 61 11.107 4.972 -1.183 1.00 34.12 H new ATOM 0 HD23 LEU A 61 11.424 3.916 -2.580 1.00 34.12 H new ATOM 874 N GLY A 62 11.802 1.283 2.106 1.00 12.02 N ATOM 875 CA GLY A 62 11.676 0.479 3.308 1.00 61.13 C ATOM 876 C GLY A 62 12.217 1.183 4.536 1.00 45.21 C ATOM 877 O GLY A 62 11.704 1.003 5.640 1.00 50.13 O ATOM 0 H GLY A 62 12.621 1.074 1.535 1.00 12.02 H new ATOM 0 HA2 GLY A 62 10.626 0.232 3.468 1.00 61.13 H new ATOM 0 HA3 GLY A 62 12.208 -0.462 3.169 1.00 61.13 H new ATOM 881 N ALA A 63 13.259 1.986 4.345 1.00 52.43 N ATOM 882 CA ALA A 63 13.870 2.720 5.446 1.00 51.21 C ATOM 883 C ALA A 63 13.057 3.962 5.797 1.00 74.43 C ATOM 884 O ALA A 63 13.141 4.477 6.912 1.00 32.24 O ATOM 885 CB ALA A 63 15.299 3.105 5.095 1.00 44.33 C ATOM 0 H ALA A 63 13.697 2.145 3.438 1.00 52.43 H new ATOM 0 HA ALA A 63 13.885 2.069 6.320 1.00 51.21 H new ATOM 0 HB1 ALA A 63 15.743 3.653 5.926 1.00 44.33 H new ATOM 0 HB2 ALA A 63 15.881 2.204 4.902 1.00 44.33 H new ATOM 0 HB3 ALA A 63 15.298 3.734 4.205 1.00 44.33 H new ATOM 891 N LEU A 64 12.270 4.438 4.838 1.00 2.10 N ATOM 892 CA LEU A 64 11.441 5.621 5.046 1.00 64.45 C ATOM 893 C LEU A 64 10.133 5.254 5.738 1.00 31.33 C ATOM 894 O LEU A 64 9.267 6.105 5.941 1.00 11.24 O ATOM 895 CB LEU A 64 11.150 6.304 3.709 1.00 53.14 C ATOM 896 CG LEU A 64 11.886 7.619 3.452 1.00 4.33 C ATOM 897 CD1 LEU A 64 11.857 7.968 1.972 1.00 24.23 C ATOM 898 CD2 LEU A 64 11.276 8.742 4.279 1.00 42.25 C ATOM 0 H LEU A 64 12.188 4.024 3.910 1.00 2.10 H new ATOM 0 HA LEU A 64 11.989 6.311 5.688 1.00 64.45 H new ATOM 0 HB2 LEU A 64 11.399 5.609 2.907 1.00 53.14 H new ATOM 0 HB3 LEU A 64 10.078 6.493 3.646 1.00 53.14 H new ATOM 0 HG LEU A 64 12.926 7.496 3.754 1.00 4.33 H new ATOM 0 HD11 LEU A 64 12.386 8.907 1.809 1.00 24.23 H new ATOM 0 HD12 LEU A 64 12.341 7.175 1.402 1.00 24.23 H new ATOM 0 HD13 LEU A 64 10.823 8.072 1.643 1.00 24.23 H new ATOM 0 HD21 LEU A 64 11.812 9.671 4.083 1.00 42.25 H new ATOM 0 HD22 LEU A 64 10.227 8.865 4.008 1.00 42.25 H new ATOM 0 HD23 LEU A 64 11.351 8.496 5.338 1.00 42.25 H new ATOM 910 N ILE A 65 9.997 3.982 6.100 1.00 3.52 N ATOM 911 CA ILE A 65 8.796 3.504 6.773 1.00 1.32 C ATOM 912 C ILE A 65 8.866 3.766 8.274 1.00 72.21 C ATOM 913 O ILE A 65 9.910 3.582 8.900 1.00 40.32 O ATOM 914 CB ILE A 65 8.579 1.998 6.536 1.00 43.25 C ATOM 915 CG1 ILE A 65 8.740 1.666 5.051 1.00 61.33 C ATOM 916 CG2 ILE A 65 7.205 1.576 7.033 1.00 72.14 C ATOM 917 CD1 ILE A 65 8.398 0.232 4.712 1.00 32.31 C ATOM 0 H ILE A 65 10.704 3.265 5.938 1.00 3.52 H new ATOM 0 HA ILE A 65 7.956 4.055 6.349 1.00 1.32 H new ATOM 0 HB ILE A 65 9.332 1.444 7.097 1.00 43.25 H new ATOM 0 HG12 ILE A 65 8.103 2.331 4.467 1.00 61.33 H new ATOM 0 HG13 ILE A 65 9.769 1.866 4.752 1.00 61.33 H new ATOM 0 HG21 ILE A 65 7.067 0.509 6.858 1.00 72.14 H new ATOM 0 HG22 ILE A 65 7.125 1.782 8.100 1.00 72.14 H new ATOM 0 HG23 ILE A 65 6.437 2.134 6.497 1.00 72.14 H new ATOM 0 HD11 ILE A 65 8.535 0.068 3.643 1.00 32.31 H new ATOM 0 HD12 ILE A 65 9.052 -0.439 5.269 1.00 32.31 H new ATOM 0 HD13 ILE A 65 7.360 0.032 4.980 1.00 32.31 H new ATOM 929 N LYS A 66 7.746 4.194 8.847 1.00 40.11 N ATOM 930 CA LYS A 66 7.677 4.478 10.275 1.00 2.33 C ATOM 931 C LYS A 66 7.477 3.196 11.076 1.00 31.32 C ATOM 932 O LYS A 66 7.367 3.229 12.302 1.00 53.11 O ATOM 933 CB LYS A 66 6.538 5.457 10.567 1.00 12.50 C ATOM 934 CG LYS A 66 6.473 6.623 9.595 1.00 61.42 C ATOM 935 CD LYS A 66 7.694 7.519 9.716 1.00 21.25 C ATOM 936 CE LYS A 66 8.492 7.553 8.422 1.00 71.20 C ATOM 937 NZ LYS A 66 9.766 8.308 8.575 1.00 23.35 N ATOM 0 H LYS A 66 6.873 4.352 8.343 1.00 40.11 H new ATOM 0 HA LYS A 66 8.622 4.930 10.576 1.00 2.33 H new ATOM 0 HB2 LYS A 66 5.591 4.918 10.539 1.00 12.50 H new ATOM 0 HB3 LYS A 66 6.654 5.845 11.579 1.00 12.50 H new ATOM 0 HG2 LYS A 66 6.398 6.244 8.576 1.00 61.42 H new ATOM 0 HG3 LYS A 66 5.572 7.207 9.785 1.00 61.42 H new ATOM 0 HD2 LYS A 66 7.380 8.530 9.978 1.00 21.25 H new ATOM 0 HD3 LYS A 66 8.329 7.162 10.527 1.00 21.25 H new ATOM 0 HE2 LYS A 66 8.710 6.534 8.103 1.00 71.20 H new ATOM 0 HE3 LYS A 66 7.891 8.011 7.637 1.00 71.20 H new ATOM 0 HZ1 LYS A 66 10.280 8.308 7.671 1.00 23.35 H new ATOM 0 HZ2 LYS A 66 9.557 9.288 8.855 1.00 23.35 H new ATOM 0 HZ3 LYS A 66 10.351 7.856 9.306 1.00 23.35 H new ATOM 951 N ARG A 67 7.432 2.067 10.376 1.00 43.00 N ATOM 952 CA ARG A 67 7.246 0.774 11.023 1.00 72.35 C ATOM 953 C ARG A 67 8.464 -0.120 10.811 1.00 21.52 C ATOM 954 O ARG A 67 8.446 -1.303 11.151 1.00 14.42 O ATOM 955 CB ARG A 67 5.993 0.084 10.479 1.00 22.11 C ATOM 956 CG ARG A 67 4.696 0.663 11.020 1.00 70.30 C ATOM 957 CD ARG A 67 4.283 1.912 10.258 1.00 2.32 C ATOM 958 NE ARG A 67 2.866 1.895 9.904 1.00 24.51 N ATOM 959 CZ ARG A 67 2.370 1.186 8.896 1.00 34.03 C ATOM 960 NH1 ARG A 67 3.171 0.441 8.147 1.00 34.12 N ATOM 961 NH2 ARG A 67 1.069 1.221 8.636 1.00 11.45 N ATOM 0 H ARG A 67 7.522 2.022 9.361 1.00 43.00 H new ATOM 0 HA ARG A 67 7.124 0.945 12.093 1.00 72.35 H new ATOM 0 HB2 ARG A 67 5.990 0.160 9.392 1.00 22.11 H new ATOM 0 HB3 ARG A 67 6.037 -0.977 10.724 1.00 22.11 H new ATOM 0 HG2 ARG A 67 3.906 -0.085 10.951 1.00 70.30 H new ATOM 0 HG3 ARG A 67 4.816 0.903 12.076 1.00 70.30 H new ATOM 0 HD2 ARG A 67 4.494 2.793 10.864 1.00 2.32 H new ATOM 0 HD3 ARG A 67 4.882 1.998 9.351 1.00 2.32 H new ATOM 0 HE ARG A 67 2.223 2.458 10.461 1.00 24.51 H new ATOM 0 HH11 ARG A 67 4.171 0.411 8.344 1.00 34.12 H new ATOM 0 HH12 ARG A 67 2.787 -0.102 7.374 1.00 34.12 H new ATOM 0 HH21 ARG A 67 0.449 1.793 9.210 1.00 11.45 H new ATOM 0 HH22 ARG A 67 0.689 0.676 7.862 1.00 11.45 H new ATOM 975 N GLY A 68 9.522 0.453 10.247 1.00 44.44 N ATOM 976 CA GLY A 68 10.734 -0.306 9.999 1.00 0.00 C ATOM 977 C GLY A 68 11.983 0.439 10.427 1.00 32.14 C ATOM 978 O GLY A 68 12.972 -0.174 10.828 1.00 1.14 O ATOM 0 H GLY A 68 9.562 1.430 9.957 1.00 44.44 H new ATOM 0 HA2 GLY A 68 10.680 -1.255 10.532 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.801 -0.541 8.937 1.00 0.00 H new TER 982 GLY A 68