USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 881 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 58 HIS : no HD1:sc= -8.73! C(o=-8.7!,f=-5!) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0.0246! USER MOD Set 2.1: A 53 ASN : amide:sc= -0.577 K(o=0.14,f=-7.1!) USER MOD Set 2.2: A 55 SER OG : rot -26:sc= 0.716 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.146 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc=-0.00999 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 56:sc= 0.042 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 55:sc= 0.138 USER MOD Single : A 64 SER OG : rot 87:sc= 0.0261 USER MOD Single : A 67 HIS : no HD1:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 74 SER OG : rot 180:sc= -1.68! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -111:sc= -0.233 (180deg=-0.378) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0599 USER MOD Single : A 84 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.28) USER MOD Single : A 86 HIS : no HD1:sc= -1.01 K(o=-1,f=-2.2!) USER MOD Single : A 90 HIS : no HE2:sc= -8.9! C(o=-8.9!,f=-6.3!) USER MOD Single : A 94 SER OG : rot 16:sc= 1.05 USER MOD Single : A 102 HIS : no HD1:sc= -3.15! K(o=-3.2!,f=-0.86) USER MOD Single : A 107 GLN : amide:sc= -2.15! K(o=-2.1!,f=-0.079) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -170:sc= -0.184 USER MOD Single : A 113 GLN : amide:sc= -0.333 K(o=-0.33,f=-1.9!) USER MOD Single : A 117 ASN : amide:sc=-0.00294 K(o=-0.0029,f=-1.5) USER MOD Single : A 119 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 123 SER OG : rot 76:sc= 0.214 USER MOD Single : A 126 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 6 15.850 -5.698 -21.867 1.00 0.00 N ATOM 2 CA GLY A 6 16.155 -5.360 -20.487 1.00 0.00 C ATOM 3 C GLY A 6 16.965 -4.065 -20.405 1.00 0.00 C ATOM 4 O GLY A 6 18.083 -3.995 -20.913 1.00 0.00 O ATOM 0 HA2 GLY A 6 15.229 -5.250 -19.923 1.00 0.00 H new ATOM 0 HA3 GLY A 6 16.715 -6.173 -20.025 1.00 0.00 H new ATOM 8 N SER A 7 16.368 -3.071 -19.763 1.00 0.00 N ATOM 9 CA SER A 7 17.020 -1.782 -19.608 1.00 0.00 C ATOM 10 C SER A 7 18.041 -1.845 -18.470 1.00 0.00 C ATOM 11 O SER A 7 17.801 -2.491 -17.451 1.00 0.00 O ATOM 12 CB SER A 7 15.997 -0.676 -19.343 1.00 0.00 C ATOM 13 OG SER A 7 16.509 0.614 -19.670 1.00 0.00 O ATOM 0 H SER A 7 15.440 -3.133 -19.344 1.00 0.00 H new ATOM 0 HA SER A 7 17.537 -1.546 -20.538 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.097 -0.867 -19.927 1.00 0.00 H new ATOM 0 HB3 SER A 7 15.706 -0.695 -18.293 1.00 0.00 H new ATOM 0 HG SER A 7 15.826 1.293 -19.489 1.00 0.00 H new ATOM 19 N SER A 8 19.158 -1.165 -18.682 1.00 0.00 N ATOM 20 CA SER A 8 20.216 -1.136 -17.686 1.00 0.00 C ATOM 21 C SER A 8 20.943 0.210 -17.735 1.00 0.00 C ATOM 22 O SER A 8 21.900 0.376 -18.490 1.00 0.00 O ATOM 23 CB SER A 8 21.207 -2.282 -17.901 1.00 0.00 C ATOM 24 OG SER A 8 21.987 -2.539 -16.737 1.00 0.00 O ATOM 0 H SER A 8 19.354 -0.630 -19.528 1.00 0.00 H new ATOM 0 HA SER A 8 19.764 -1.263 -16.702 1.00 0.00 H new ATOM 0 HB2 SER A 8 20.663 -3.184 -18.179 1.00 0.00 H new ATOM 0 HB3 SER A 8 21.867 -2.039 -18.733 1.00 0.00 H new ATOM 0 HG SER A 8 22.606 -3.278 -16.914 1.00 0.00 H new ATOM 30 N GLY A 9 20.461 1.137 -16.920 1.00 0.00 N ATOM 31 CA GLY A 9 21.053 2.462 -16.861 1.00 0.00 C ATOM 32 C GLY A 9 20.471 3.271 -15.699 1.00 0.00 C ATOM 33 O GLY A 9 19.645 4.158 -15.909 1.00 0.00 O ATOM 0 H GLY A 9 19.667 0.996 -16.295 1.00 0.00 H new ATOM 0 HA2 GLY A 9 22.133 2.377 -16.744 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.874 2.986 -17.800 1.00 0.00 H new ATOM 37 N SER A 10 20.924 2.935 -14.501 1.00 0.00 N ATOM 38 CA SER A 10 20.459 3.619 -13.306 1.00 0.00 C ATOM 39 C SER A 10 21.441 3.389 -12.155 1.00 0.00 C ATOM 40 O SER A 10 21.875 2.262 -11.921 1.00 0.00 O ATOM 41 CB SER A 10 19.058 3.146 -12.911 1.00 0.00 C ATOM 42 OG SER A 10 18.153 4.235 -12.750 1.00 0.00 O ATOM 0 H SER A 10 21.608 2.198 -14.332 1.00 0.00 H new ATOM 0 HA SER A 10 20.406 4.686 -13.522 1.00 0.00 H new ATOM 0 HB2 SER A 10 18.676 2.467 -13.673 1.00 0.00 H new ATOM 0 HB3 SER A 10 19.115 2.581 -11.981 1.00 0.00 H new ATOM 0 HG SER A 10 17.270 3.892 -12.500 1.00 0.00 H new ATOM 48 N SER A 11 21.762 4.475 -11.468 1.00 0.00 N ATOM 49 CA SER A 11 22.685 4.406 -10.348 1.00 0.00 C ATOM 50 C SER A 11 22.438 5.576 -9.393 1.00 0.00 C ATOM 51 O SER A 11 22.910 6.687 -9.632 1.00 0.00 O ATOM 52 CB SER A 11 24.137 4.411 -10.829 1.00 0.00 C ATOM 53 OG SER A 11 24.399 3.353 -11.747 1.00 0.00 O ATOM 0 H SER A 11 21.399 5.408 -11.665 1.00 0.00 H new ATOM 0 HA SER A 11 22.510 3.470 -9.818 1.00 0.00 H new ATOM 0 HB2 SER A 11 24.358 5.367 -11.304 1.00 0.00 H new ATOM 0 HB3 SER A 11 24.803 4.320 -9.971 1.00 0.00 H new ATOM 0 HG SER A 11 25.336 3.392 -12.032 1.00 0.00 H new ATOM 59 N GLY A 12 21.699 5.287 -8.332 1.00 0.00 N ATOM 60 CA GLY A 12 21.384 6.301 -7.341 1.00 0.00 C ATOM 61 C GLY A 12 20.293 5.814 -6.386 1.00 0.00 C ATOM 62 O GLY A 12 19.136 6.216 -6.502 1.00 0.00 O ATOM 0 H GLY A 12 21.309 4.365 -8.137 1.00 0.00 H new ATOM 0 HA2 GLY A 12 22.281 6.553 -6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 12 21.055 7.213 -7.840 1.00 0.00 H new ATOM 66 N MET A 13 20.699 4.954 -5.463 1.00 0.00 N ATOM 67 CA MET A 13 19.771 4.408 -4.488 1.00 0.00 C ATOM 68 C MET A 13 19.813 5.206 -3.183 1.00 0.00 C ATOM 69 O MET A 13 20.826 5.209 -2.486 1.00 0.00 O ATOM 70 CB MET A 13 20.128 2.947 -4.205 1.00 0.00 C ATOM 71 CG MET A 13 18.937 2.028 -4.483 1.00 0.00 C ATOM 72 SD MET A 13 18.645 0.965 -3.079 1.00 0.00 S ATOM 73 CE MET A 13 17.093 1.633 -2.503 1.00 0.00 C ATOM 0 H MET A 13 21.659 4.622 -5.370 1.00 0.00 H new ATOM 0 HA MET A 13 18.763 4.472 -4.899 1.00 0.00 H new ATOM 0 HB2 MET A 13 20.974 2.649 -4.824 1.00 0.00 H new ATOM 0 HB3 MET A 13 20.440 2.840 -3.166 1.00 0.00 H new ATOM 0 HG2 MET A 13 18.048 2.624 -4.690 1.00 0.00 H new ATOM 0 HG3 MET A 13 19.131 1.426 -5.371 1.00 0.00 H new ATOM 0 HE1 MET A 13 16.763 1.080 -1.623 1.00 0.00 H new ATOM 0 HE2 MET A 13 17.223 2.684 -2.244 1.00 0.00 H new ATOM 0 HE3 MET A 13 16.344 1.543 -3.290 1.00 0.00 H new ATOM 83 N ALA A 14 18.700 5.864 -2.893 1.00 0.00 N ATOM 84 CA ALA A 14 18.597 6.664 -1.684 1.00 0.00 C ATOM 85 C ALA A 14 17.820 5.880 -0.624 1.00 0.00 C ATOM 86 O ALA A 14 16.915 5.115 -0.952 1.00 0.00 O ATOM 87 CB ALA A 14 17.940 8.005 -2.015 1.00 0.00 C ATOM 0 H ALA A 14 17.862 5.860 -3.474 1.00 0.00 H new ATOM 0 HA ALA A 14 19.586 6.876 -1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 14 17.862 8.606 -1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 14 18.545 8.535 -2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 14 16.944 7.831 -2.422 1.00 0.00 H new ATOM 93 N THR A 15 18.204 6.098 0.625 1.00 0.00 N ATOM 94 CA THR A 15 17.555 5.421 1.736 1.00 0.00 C ATOM 95 C THR A 15 17.380 6.380 2.915 1.00 0.00 C ATOM 96 O THR A 15 18.311 7.095 3.282 1.00 0.00 O ATOM 97 CB THR A 15 18.380 4.180 2.080 1.00 0.00 C ATOM 98 OG1 THR A 15 18.142 3.292 0.990 1.00 0.00 O ATOM 99 CG2 THR A 15 17.831 3.431 3.296 1.00 0.00 C ATOM 0 H THR A 15 18.956 6.733 0.893 1.00 0.00 H new ATOM 0 HA THR A 15 16.549 5.097 1.469 1.00 0.00 H new ATOM 0 HB THR A 15 19.413 4.472 2.269 1.00 0.00 H new ATOM 0 HG1 THR A 15 18.641 2.460 1.130 1.00 0.00 H new ATOM 0 HG21 THR A 15 18.453 2.559 3.497 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.839 4.091 4.164 1.00 0.00 H new ATOM 0 HG23 THR A 15 16.809 3.109 3.094 1.00 0.00 H new ATOM 107 N ARG A 16 16.179 6.365 3.476 1.00 0.00 N ATOM 108 CA ARG A 16 15.870 7.224 4.606 1.00 0.00 C ATOM 109 C ARG A 16 14.601 6.739 5.309 1.00 0.00 C ATOM 110 O ARG A 16 13.813 5.993 4.731 1.00 0.00 O ATOM 111 CB ARG A 16 15.675 8.674 4.158 1.00 0.00 C ATOM 112 CG ARG A 16 14.442 8.810 3.263 1.00 0.00 C ATOM 113 CD ARG A 16 14.759 8.392 1.826 1.00 0.00 C ATOM 114 NE ARG A 16 13.751 8.956 0.900 1.00 0.00 N ATOM 115 CZ ARG A 16 13.665 8.641 -0.399 1.00 0.00 C ATOM 116 NH1 ARG A 16 14.527 7.766 -0.935 1.00 0.00 N ATOM 117 NH2 ARG A 16 12.718 9.203 -1.163 1.00 0.00 N ATOM 0 H ARG A 16 15.409 5.771 3.169 1.00 0.00 H new ATOM 0 HA ARG A 16 16.712 7.180 5.297 1.00 0.00 H new ATOM 0 HB2 ARG A 16 15.567 9.317 5.032 1.00 0.00 H new ATOM 0 HB3 ARG A 16 16.559 9.014 3.619 1.00 0.00 H new ATOM 0 HG2 ARG A 16 13.634 8.193 3.655 1.00 0.00 H new ATOM 0 HG3 ARG A 16 14.091 9.842 3.276 1.00 0.00 H new ATOM 0 HD2 ARG A 16 15.754 8.740 1.549 1.00 0.00 H new ATOM 0 HD3 ARG A 16 14.768 7.305 1.748 1.00 0.00 H new ATOM 0 HE ARG A 16 13.080 9.627 1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.249 7.340 -0.354 1.00 0.00 H new ATOM 0 HH12 ARG A 16 14.461 7.526 -1.924 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.063 9.870 -0.755 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.652 8.963 -2.152 1.00 0.00 H new ATOM 131 N SER A 17 14.443 7.183 6.548 1.00 0.00 N ATOM 132 CA SER A 17 13.283 6.804 7.336 1.00 0.00 C ATOM 133 C SER A 17 13.218 7.648 8.611 1.00 0.00 C ATOM 134 O SER A 17 14.215 7.791 9.316 1.00 0.00 O ATOM 135 CB SER A 17 13.318 5.315 7.687 1.00 0.00 C ATOM 136 OG SER A 17 14.146 5.051 8.816 1.00 0.00 O ATOM 0 H SER A 17 15.099 7.801 7.025 1.00 0.00 H new ATOM 0 HA SER A 17 12.390 6.988 6.740 1.00 0.00 H new ATOM 0 HB2 SER A 17 12.305 4.967 7.891 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.683 4.749 6.830 1.00 0.00 H new ATOM 0 HG SER A 17 14.140 4.090 9.008 1.00 0.00 H new ATOM 142 N CYS A 18 12.034 8.184 8.867 1.00 0.00 N ATOM 143 CA CYS A 18 11.826 9.010 10.045 1.00 0.00 C ATOM 144 C CYS A 18 10.780 8.329 10.930 1.00 0.00 C ATOM 145 O CYS A 18 9.615 8.220 10.549 1.00 0.00 O ATOM 146 CB CYS A 18 11.416 10.436 9.671 1.00 0.00 C ATOM 147 SG CYS A 18 11.695 11.560 11.088 1.00 0.00 S ATOM 0 H CYS A 18 11.209 8.063 8.280 1.00 0.00 H new ATOM 0 HA CYS A 18 12.762 9.104 10.596 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.991 10.774 8.809 1.00 0.00 H new ATOM 0 HB3 CYS A 18 10.365 10.457 9.381 1.00 0.00 H new ATOM 0 HG CYS A 18 11.346 12.768 10.759 1.00 0.00 H new ATOM 153 N VAL A 19 11.233 7.890 12.095 1.00 0.00 N ATOM 154 CA VAL A 19 10.351 7.223 13.038 1.00 0.00 C ATOM 155 C VAL A 19 10.313 8.019 14.344 1.00 0.00 C ATOM 156 O VAL A 19 10.855 7.581 15.358 1.00 0.00 O ATOM 157 CB VAL A 19 10.796 5.772 13.234 1.00 0.00 C ATOM 158 CG1 VAL A 19 10.841 5.027 11.899 1.00 0.00 C ATOM 159 CG2 VAL A 19 12.148 5.705 13.946 1.00 0.00 C ATOM 0 H VAL A 19 12.199 7.983 12.408 1.00 0.00 H new ATOM 0 HA VAL A 19 9.333 7.187 12.650 1.00 0.00 H new ATOM 0 HB VAL A 19 10.059 5.278 13.868 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.160 3.998 12.067 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.849 5.030 11.447 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.546 5.521 11.230 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.441 4.663 14.073 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.899 6.223 13.350 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.069 6.181 14.923 1.00 0.00 H new ATOM 169 N SER A 20 9.666 9.173 14.278 1.00 0.00 N ATOM 170 CA SER A 20 9.550 10.034 15.443 1.00 0.00 C ATOM 171 C SER A 20 8.293 9.672 16.237 1.00 0.00 C ATOM 172 O SER A 20 8.369 9.393 17.432 1.00 0.00 O ATOM 173 CB SER A 20 9.515 11.509 15.037 1.00 0.00 C ATOM 174 OG SER A 20 10.269 12.325 15.928 1.00 0.00 O ATOM 0 H SER A 20 9.216 9.532 13.436 1.00 0.00 H new ATOM 0 HA SER A 20 10.427 9.879 16.072 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.908 11.616 14.026 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.482 11.855 15.015 1.00 0.00 H new ATOM 0 HG SER A 20 10.223 13.259 15.634 1.00 0.00 H new ATOM 180 N ARG A 21 7.166 9.690 15.540 1.00 0.00 N ATOM 181 CA ARG A 21 5.895 9.367 16.166 1.00 0.00 C ATOM 182 C ARG A 21 4.746 9.589 15.179 1.00 0.00 C ATOM 183 O ARG A 21 4.945 10.163 14.109 1.00 0.00 O ATOM 184 CB ARG A 21 5.660 10.224 17.411 1.00 0.00 C ATOM 185 CG ARG A 21 5.118 9.379 18.565 1.00 0.00 C ATOM 186 CD ARG A 21 4.587 10.266 19.693 1.00 0.00 C ATOM 187 NE ARG A 21 3.937 9.432 20.729 1.00 0.00 N ATOM 188 CZ ARG A 21 4.603 8.739 21.662 1.00 0.00 C ATOM 189 NH1 ARG A 21 5.942 8.774 21.695 1.00 0.00 N ATOM 190 NH2 ARG A 21 3.929 8.009 22.562 1.00 0.00 N ATOM 0 H ARG A 21 7.107 9.923 14.549 1.00 0.00 H new ATOM 0 HA ARG A 21 5.928 8.318 16.462 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.594 10.699 17.711 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.956 11.023 17.179 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.321 8.730 18.202 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.907 8.731 18.948 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.405 10.837 20.134 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.874 10.987 19.295 1.00 0.00 H new ATOM 0 HE ARG A 21 2.918 9.382 20.733 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.455 9.329 21.009 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.449 8.246 22.406 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.910 7.982 22.536 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.435 7.481 23.273 1.00 0.00 H new ATOM 204 N GLY A 22 3.571 9.122 15.574 1.00 0.00 N ATOM 205 CA GLY A 22 2.391 9.262 14.737 1.00 0.00 C ATOM 206 C GLY A 22 1.141 8.761 15.464 1.00 0.00 C ATOM 207 O GLY A 22 1.161 7.694 16.076 1.00 0.00 O ATOM 0 H GLY A 22 3.410 8.646 16.462 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.260 10.308 14.459 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.528 8.701 13.812 1.00 0.00 H new ATOM 211 N SER A 23 0.084 9.554 15.372 1.00 0.00 N ATOM 212 CA SER A 23 -1.172 9.205 16.013 1.00 0.00 C ATOM 213 C SER A 23 -2.305 10.063 15.446 1.00 0.00 C ATOM 214 O SER A 23 -3.264 9.537 14.883 1.00 0.00 O ATOM 215 CB SER A 23 -1.083 9.378 17.530 1.00 0.00 C ATOM 216 OG SER A 23 -1.382 8.170 18.224 1.00 0.00 O ATOM 0 H SER A 23 0.072 10.438 14.863 1.00 0.00 H new ATOM 0 HA SER A 23 -1.381 8.155 15.806 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.081 9.712 17.799 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.774 10.159 17.847 1.00 0.00 H new ATOM 0 HG SER A 23 -1.313 8.322 19.190 1.00 0.00 H new ATOM 222 N ALA A 24 -2.157 11.368 15.616 1.00 0.00 N ATOM 223 CA ALA A 24 -3.156 12.304 15.128 1.00 0.00 C ATOM 224 C ALA A 24 -3.201 12.246 13.600 1.00 0.00 C ATOM 225 O ALA A 24 -2.162 12.146 12.949 1.00 0.00 O ATOM 226 CB ALA A 24 -2.839 13.707 15.649 1.00 0.00 C ATOM 0 H ALA A 24 -1.361 11.800 16.085 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.146 12.035 15.497 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.588 14.409 15.283 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.849 13.701 16.739 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.854 14.012 15.297 1.00 0.00 H new ATOM 232 N GLY A 25 -4.414 12.311 13.072 1.00 0.00 N ATOM 233 CA GLY A 25 -4.607 12.267 11.633 1.00 0.00 C ATOM 234 C GLY A 25 -5.660 11.224 11.252 1.00 0.00 C ATOM 235 O GLY A 25 -6.017 10.372 12.065 1.00 0.00 O ATOM 0 H GLY A 25 -5.273 12.394 13.615 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.916 13.249 11.274 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.662 12.031 11.143 1.00 0.00 H new ATOM 239 N SER A 26 -6.128 11.325 10.017 1.00 0.00 N ATOM 240 CA SER A 26 -7.133 10.401 9.519 1.00 0.00 C ATOM 241 C SER A 26 -7.339 10.611 8.018 1.00 0.00 C ATOM 242 O SER A 26 -7.690 11.706 7.583 1.00 0.00 O ATOM 243 CB SER A 26 -8.457 10.573 10.266 1.00 0.00 C ATOM 244 OG SER A 26 -8.753 9.451 11.092 1.00 0.00 O ATOM 0 H SER A 26 -5.830 12.033 9.346 1.00 0.00 H new ATOM 0 HA SER A 26 -6.779 9.385 9.692 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.413 11.473 10.879 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.263 10.716 9.547 1.00 0.00 H new ATOM 0 HG SER A 26 -8.013 9.300 11.717 1.00 0.00 H new ATOM 250 N ALA A 27 -7.111 9.543 7.267 1.00 0.00 N ATOM 251 CA ALA A 27 -7.267 9.597 5.823 1.00 0.00 C ATOM 252 C ALA A 27 -7.662 8.212 5.305 1.00 0.00 C ATOM 253 O ALA A 27 -7.706 7.249 6.069 1.00 0.00 O ATOM 254 CB ALA A 27 -5.973 10.110 5.188 1.00 0.00 C ATOM 0 H ALA A 27 -6.820 8.636 7.631 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.062 10.291 5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.090 10.150 4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.753 11.108 5.567 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.153 9.437 5.439 1.00 0.00 H new ATOM 260 N ALA A 28 -7.938 8.156 4.011 1.00 0.00 N ATOM 261 CA ALA A 28 -8.328 6.906 3.382 1.00 0.00 C ATOM 262 C ALA A 28 -7.405 6.628 2.194 1.00 0.00 C ATOM 263 O ALA A 28 -6.554 7.451 1.859 1.00 0.00 O ATOM 264 CB ALA A 28 -9.800 6.977 2.973 1.00 0.00 C ATOM 0 H ALA A 28 -7.899 8.957 3.380 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.224 6.076 4.081 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.092 6.039 2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.415 7.146 3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.943 7.797 2.269 1.00 0.00 H new ATOM 270 N ALA A 29 -7.605 5.467 1.589 1.00 0.00 N ATOM 271 CA ALA A 29 -6.802 5.071 0.445 1.00 0.00 C ATOM 272 C ALA A 29 -6.906 6.142 -0.642 1.00 0.00 C ATOM 273 O ALA A 29 -7.480 7.207 -0.416 1.00 0.00 O ATOM 274 CB ALA A 29 -7.257 3.695 -0.047 1.00 0.00 C ATOM 0 H ALA A 29 -8.312 4.787 1.870 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.752 4.987 0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.654 3.398 -0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.135 2.964 0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.306 3.742 -0.339 1.00 0.00 H new ATOM 280 N GLY A 30 -6.343 5.824 -1.798 1.00 0.00 N ATOM 281 CA GLY A 30 -6.366 6.747 -2.921 1.00 0.00 C ATOM 282 C GLY A 30 -5.955 6.044 -4.216 1.00 0.00 C ATOM 283 O GLY A 30 -5.880 4.817 -4.265 1.00 0.00 O ATOM 0 H GLY A 30 -5.868 4.940 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.366 7.166 -3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.691 7.580 -2.725 1.00 0.00 H new ATOM 287 N PRO A 31 -5.694 6.873 -5.262 1.00 0.00 N ATOM 288 CA PRO A 31 -5.292 6.345 -6.555 1.00 0.00 C ATOM 289 C PRO A 31 -3.839 5.867 -6.525 1.00 0.00 C ATOM 290 O PRO A 31 -3.419 5.092 -7.382 1.00 0.00 O ATOM 291 CB PRO A 31 -5.524 7.483 -7.535 1.00 0.00 C ATOM 292 CG PRO A 31 -5.603 8.747 -6.694 1.00 0.00 C ATOM 293 CD PRO A 31 -5.772 8.331 -5.242 1.00 0.00 C ATOM 0 HA PRO A 31 -5.865 5.465 -6.846 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.712 7.546 -8.260 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.444 7.331 -8.099 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.700 9.345 -6.817 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.441 9.366 -7.014 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.992 8.761 -4.614 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -6.727 8.671 -4.841 1.00 0.00 H new ATOM 301 N VAL A 32 -3.111 6.351 -5.529 1.00 0.00 N ATOM 302 CA VAL A 32 -1.714 5.983 -5.376 1.00 0.00 C ATOM 303 C VAL A 32 -1.623 4.584 -4.764 1.00 0.00 C ATOM 304 O VAL A 32 -1.152 3.649 -5.410 1.00 0.00 O ATOM 305 CB VAL A 32 -0.981 7.044 -4.553 1.00 0.00 C ATOM 306 CG1 VAL A 32 0.477 6.644 -4.316 1.00 0.00 C ATOM 307 CG2 VAL A 32 -1.070 8.417 -5.224 1.00 0.00 C ATOM 0 H VAL A 32 -3.463 6.995 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.221 5.945 -6.347 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.472 7.113 -3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.975 7.415 -3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.512 5.698 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.984 6.533 -5.274 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.541 9.153 -4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.617 8.368 -6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.116 8.709 -5.318 1.00 0.00 H new ATOM 317 N GLU A 33 -2.082 4.484 -3.525 1.00 0.00 N ATOM 318 CA GLU A 33 -2.058 3.214 -2.818 1.00 0.00 C ATOM 319 C GLU A 33 -2.626 2.103 -3.704 1.00 0.00 C ATOM 320 O GLU A 33 -2.044 1.024 -3.802 1.00 0.00 O ATOM 321 CB GLU A 33 -2.824 3.308 -1.497 1.00 0.00 C ATOM 322 CG GLU A 33 -3.275 1.924 -1.025 1.00 0.00 C ATOM 323 CD GLU A 33 -4.733 1.662 -1.408 1.00 0.00 C ATOM 324 OE1 GLU A 33 -5.233 2.406 -2.279 1.00 0.00 O ATOM 325 OE2 GLU A 33 -5.314 0.724 -0.822 1.00 0.00 O ATOM 0 H GLU A 33 -2.473 5.261 -2.992 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.022 2.970 -2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.191 3.767 -0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.693 3.955 -1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.636 1.159 -1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.160 1.849 0.056 1.00 0.00 H new ATOM 332 N ALA A 34 -3.757 2.406 -4.325 1.00 0.00 N ATOM 333 CA ALA A 34 -4.410 1.446 -5.199 1.00 0.00 C ATOM 334 C ALA A 34 -3.380 0.861 -6.168 1.00 0.00 C ATOM 335 O ALA A 34 -3.228 -0.356 -6.257 1.00 0.00 O ATOM 336 CB ALA A 34 -5.573 2.126 -5.925 1.00 0.00 C ATOM 0 H ALA A 34 -4.237 3.302 -4.240 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.824 0.620 -4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.063 1.406 -6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.291 2.498 -5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.195 2.958 -6.518 1.00 0.00 H new ATOM 342 N ALA A 35 -2.700 1.756 -6.869 1.00 0.00 N ATOM 343 CA ALA A 35 -1.689 1.344 -7.828 1.00 0.00 C ATOM 344 C ALA A 35 -0.596 0.557 -7.103 1.00 0.00 C ATOM 345 O ALA A 35 -0.177 -0.502 -7.568 1.00 0.00 O ATOM 346 CB ALA A 35 -1.139 2.575 -8.551 1.00 0.00 C ATOM 0 H ALA A 35 -2.829 2.765 -6.792 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.121 0.688 -8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.381 2.266 -9.270 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.950 3.082 -9.074 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.694 3.255 -7.825 1.00 0.00 H new ATOM 352 N ILE A 36 -0.165 1.104 -5.976 1.00 0.00 N ATOM 353 CA ILE A 36 0.871 0.466 -5.182 1.00 0.00 C ATOM 354 C ILE A 36 0.477 -0.987 -4.910 1.00 0.00 C ATOM 355 O ILE A 36 1.325 -1.878 -4.929 1.00 0.00 O ATOM 356 CB ILE A 36 1.149 1.275 -3.914 1.00 0.00 C ATOM 357 CG1 ILE A 36 1.688 2.665 -4.258 1.00 0.00 C ATOM 358 CG2 ILE A 36 2.086 0.514 -2.973 1.00 0.00 C ATOM 359 CD1 ILE A 36 1.912 3.495 -2.992 1.00 0.00 C ATOM 0 H ILE A 36 -0.515 1.983 -5.594 1.00 0.00 H new ATOM 0 HA ILE A 36 1.812 0.444 -5.731 1.00 0.00 H new ATOM 0 HB ILE A 36 0.206 1.417 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.626 2.570 -4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.986 3.179 -4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.268 1.111 -2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.627 -0.433 -2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.032 0.321 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.295 4.478 -3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.968 3.608 -2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.633 2.990 -2.349 1.00 0.00 H new ATOM 371 N ARG A 37 -0.810 -1.182 -4.664 1.00 0.00 N ATOM 372 CA ARG A 37 -1.327 -2.512 -4.388 1.00 0.00 C ATOM 373 C ARG A 37 -1.582 -3.263 -5.696 1.00 0.00 C ATOM 374 O ARG A 37 -0.930 -4.269 -5.975 1.00 0.00 O ATOM 375 CB ARG A 37 -2.628 -2.442 -3.587 1.00 0.00 C ATOM 376 CG ARG A 37 -2.993 -3.812 -3.013 1.00 0.00 C ATOM 377 CD ARG A 37 -4.494 -4.079 -3.141 1.00 0.00 C ATOM 378 NE ARG A 37 -4.863 -5.282 -2.363 1.00 0.00 N ATOM 379 CZ ARG A 37 -6.122 -5.612 -2.041 1.00 0.00 C ATOM 380 NH1 ARG A 37 -7.139 -4.830 -2.429 1.00 0.00 N ATOM 381 NH2 ARG A 37 -6.363 -6.723 -1.332 1.00 0.00 N ATOM 0 H ARG A 37 -1.511 -0.441 -4.650 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.579 -3.043 -3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.522 -1.721 -2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.435 -2.085 -4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.436 -4.589 -3.536 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.700 -3.861 -1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.057 -3.217 -2.782 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.759 -4.219 -4.189 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.113 -5.899 -2.052 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.955 -3.984 -2.969 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.097 -5.080 -2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.589 -7.318 -1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.321 -6.974 -1.087 1.00 0.00 H new ATOM 395 N ALA A 38 -2.530 -2.747 -6.464 1.00 0.00 N ATOM 396 CA ALA A 38 -2.879 -3.357 -7.735 1.00 0.00 C ATOM 397 C ALA A 38 -1.602 -3.813 -8.444 1.00 0.00 C ATOM 398 O ALA A 38 -1.604 -4.825 -9.144 1.00 0.00 O ATOM 399 CB ALA A 38 -3.688 -2.365 -8.573 1.00 0.00 C ATOM 0 H ALA A 38 -3.068 -1.912 -6.230 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.503 -4.237 -7.580 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.950 -2.823 -9.527 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.599 -2.095 -8.038 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.093 -1.470 -8.752 1.00 0.00 H new ATOM 405 N LYS A 39 -0.543 -3.045 -8.239 1.00 0.00 N ATOM 406 CA LYS A 39 0.738 -3.358 -8.849 1.00 0.00 C ATOM 407 C LYS A 39 1.306 -4.628 -8.212 1.00 0.00 C ATOM 408 O LYS A 39 1.347 -5.680 -8.848 1.00 0.00 O ATOM 409 CB LYS A 39 1.680 -2.154 -8.766 1.00 0.00 C ATOM 410 CG LYS A 39 1.260 -1.061 -9.751 1.00 0.00 C ATOM 411 CD LYS A 39 2.190 -1.031 -10.965 1.00 0.00 C ATOM 412 CE LYS A 39 1.912 0.195 -11.838 1.00 0.00 C ATOM 413 NZ LYS A 39 3.007 1.182 -11.708 1.00 0.00 N ATOM 0 H LYS A 39 -0.545 -2.206 -7.659 1.00 0.00 H new ATOM 0 HA LYS A 39 0.613 -3.563 -9.912 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.678 -1.755 -7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.701 -2.470 -8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.235 -1.235 -10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.275 -0.092 -9.253 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.228 -1.017 -10.632 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.056 -1.939 -11.553 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.810 -0.109 -12.880 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.966 0.651 -11.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.803 2.008 -12.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.086 1.484 -10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.903 0.748 -12.010 1.00 0.00 H new ATOM 427 N LEU A 40 1.729 -4.487 -6.965 1.00 0.00 N ATOM 428 CA LEU A 40 2.292 -5.610 -6.235 1.00 0.00 C ATOM 429 C LEU A 40 1.371 -6.823 -6.383 1.00 0.00 C ATOM 430 O LEU A 40 1.814 -7.963 -6.255 1.00 0.00 O ATOM 431 CB LEU A 40 2.567 -5.220 -4.781 1.00 0.00 C ATOM 432 CG LEU A 40 3.552 -4.069 -4.570 1.00 0.00 C ATOM 433 CD1 LEU A 40 3.492 -3.553 -3.131 1.00 0.00 C ATOM 434 CD2 LEU A 40 4.970 -4.480 -4.972 1.00 0.00 C ATOM 0 H LEU A 40 1.693 -3.612 -6.441 1.00 0.00 H new ATOM 0 HA LEU A 40 3.258 -5.891 -6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.620 -4.952 -4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.946 -6.097 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 40 3.259 -3.245 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.202 -2.735 -3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.485 -3.195 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.746 -4.360 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.650 -3.644 -4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.289 -5.328 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.982 -4.762 -6.025 1.00 0.00 H new ATOM 446 N GLU A 41 0.105 -6.535 -6.650 1.00 0.00 N ATOM 447 CA GLU A 41 -0.882 -7.588 -6.817 1.00 0.00 C ATOM 448 C GLU A 41 -0.539 -8.450 -8.034 1.00 0.00 C ATOM 449 O GLU A 41 -0.646 -9.674 -7.982 1.00 0.00 O ATOM 450 CB GLU A 41 -2.291 -7.004 -6.938 1.00 0.00 C ATOM 451 CG GLU A 41 -2.946 -6.863 -5.563 1.00 0.00 C ATOM 452 CD GLU A 41 -4.463 -7.044 -5.657 1.00 0.00 C ATOM 453 OE1 GLU A 41 -4.877 -8.067 -6.243 1.00 0.00 O ATOM 454 OE2 GLU A 41 -5.173 -6.155 -5.140 1.00 0.00 O ATOM 0 H GLU A 41 -0.259 -5.588 -6.755 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.862 -8.222 -5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.244 -6.029 -7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.902 -7.647 -7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.529 -7.603 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.718 -5.882 -5.147 1.00 0.00 H new ATOM 461 N GLN A 42 -0.134 -7.776 -9.100 1.00 0.00 N ATOM 462 CA GLN A 42 0.226 -8.465 -10.328 1.00 0.00 C ATOM 463 C GLN A 42 1.747 -8.495 -10.494 1.00 0.00 C ATOM 464 O GLN A 42 2.261 -9.121 -11.420 1.00 0.00 O ATOM 465 CB GLN A 42 -0.445 -7.813 -11.539 1.00 0.00 C ATOM 466 CG GLN A 42 -0.084 -6.329 -11.632 1.00 0.00 C ATOM 467 CD GLN A 42 -0.461 -5.758 -13.001 1.00 0.00 C ATOM 468 OE1 GLN A 42 -1.516 -5.175 -13.191 1.00 0.00 O ATOM 469 NE2 GLN A 42 0.458 -5.958 -13.942 1.00 0.00 N ATOM 0 H GLN A 42 -0.047 -6.760 -9.139 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.133 -9.492 -10.264 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.135 -8.324 -12.450 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.527 -7.924 -11.464 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.601 -5.775 -10.848 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.985 -6.200 -11.462 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.320 -6.454 -13.716 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.301 -5.615 -14.890 1.00 0.00 H new ATOM 478 N ALA A 43 2.423 -7.812 -9.583 1.00 0.00 N ATOM 479 CA ALA A 43 3.874 -7.752 -9.616 1.00 0.00 C ATOM 480 C ALA A 43 4.446 -8.809 -8.669 1.00 0.00 C ATOM 481 O ALA A 43 5.569 -9.274 -8.856 1.00 0.00 O ATOM 482 CB ALA A 43 4.336 -6.338 -9.260 1.00 0.00 C ATOM 0 H ALA A 43 1.992 -7.295 -8.817 1.00 0.00 H new ATOM 0 HA ALA A 43 4.244 -7.972 -10.617 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.425 -6.294 -9.285 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.927 -5.630 -9.981 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.985 -6.082 -8.260 1.00 0.00 H new ATOM 488 N LEU A 44 3.647 -9.157 -7.671 1.00 0.00 N ATOM 489 CA LEU A 44 4.059 -10.150 -6.693 1.00 0.00 C ATOM 490 C LEU A 44 2.955 -11.198 -6.541 1.00 0.00 C ATOM 491 O LEU A 44 3.229 -12.396 -6.525 1.00 0.00 O ATOM 492 CB LEU A 44 4.452 -9.475 -5.377 1.00 0.00 C ATOM 493 CG LEU A 44 5.688 -8.574 -5.429 1.00 0.00 C ATOM 494 CD1 LEU A 44 5.858 -7.802 -4.119 1.00 0.00 C ATOM 495 CD2 LEU A 44 6.939 -9.379 -5.787 1.00 0.00 C ATOM 0 H LEU A 44 2.716 -8.769 -7.518 1.00 0.00 H new ATOM 0 HA LEU A 44 4.952 -10.674 -7.035 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.607 -8.880 -5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.623 -10.251 -4.631 1.00 0.00 H new ATOM 0 HG LEU A 44 5.542 -7.838 -6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.743 -7.169 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.979 -7.181 -3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.973 -8.505 -3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.803 -8.715 -5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.102 -10.152 -5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.805 -9.845 -6.763 1.00 0.00 H new ATOM 507 N SER A 45 1.728 -10.708 -6.432 1.00 0.00 N ATOM 508 CA SER A 45 0.582 -11.587 -6.281 1.00 0.00 C ATOM 509 C SER A 45 0.716 -12.407 -4.997 1.00 0.00 C ATOM 510 O SER A 45 0.736 -13.636 -5.040 1.00 0.00 O ATOM 511 CB SER A 45 0.435 -12.514 -7.490 1.00 0.00 C ATOM 512 OG SER A 45 -0.924 -12.654 -7.894 1.00 0.00 O ATOM 0 H SER A 45 1.503 -9.713 -6.445 1.00 0.00 H new ATOM 0 HA SER A 45 -0.315 -10.971 -6.219 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.021 -12.122 -8.321 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.844 -13.495 -7.246 1.00 0.00 H new ATOM 0 HG SER A 45 -1.309 -11.768 -8.060 1.00 0.00 H new ATOM 518 N PRO A 46 0.809 -11.675 -3.854 1.00 0.00 N ATOM 519 CA PRO A 46 0.941 -12.322 -2.560 1.00 0.00 C ATOM 520 C PRO A 46 -0.391 -12.923 -2.108 1.00 0.00 C ATOM 521 O PRO A 46 -1.402 -12.790 -2.797 1.00 0.00 O ATOM 522 CB PRO A 46 1.449 -11.235 -1.627 1.00 0.00 C ATOM 523 CG PRO A 46 1.140 -9.916 -2.317 1.00 0.00 C ATOM 524 CD PRO A 46 0.789 -10.218 -3.765 1.00 0.00 C ATOM 0 HA PRO A 46 1.631 -13.166 -2.580 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.957 -11.292 -0.656 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.519 -11.342 -1.449 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.311 -9.411 -1.821 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.999 -9.247 -2.264 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.191 -9.819 -4.027 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.509 -9.769 -4.449 1.00 0.00 H new ATOM 532 N GLU A 47 -0.351 -13.572 -0.954 1.00 0.00 N ATOM 533 CA GLU A 47 -1.542 -14.194 -0.402 1.00 0.00 C ATOM 534 C GLU A 47 -2.340 -13.177 0.417 1.00 0.00 C ATOM 535 O GLU A 47 -3.533 -13.365 0.654 1.00 0.00 O ATOM 536 CB GLU A 47 -1.181 -15.417 0.443 1.00 0.00 C ATOM 537 CG GLU A 47 -0.404 -16.444 -0.383 1.00 0.00 C ATOM 538 CD GLU A 47 -1.291 -17.633 -0.755 1.00 0.00 C ATOM 539 OE1 GLU A 47 -2.074 -18.054 0.124 1.00 0.00 O ATOM 540 OE2 GLU A 47 -1.167 -18.095 -1.910 1.00 0.00 O ATOM 0 H GLU A 47 0.489 -13.681 -0.385 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.166 -14.536 -1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.583 -15.107 1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.090 -15.873 0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.022 -15.973 -1.289 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.459 -16.793 0.183 1.00 0.00 H new ATOM 547 N VAL A 48 -1.651 -12.123 0.828 1.00 0.00 N ATOM 548 CA VAL A 48 -2.280 -11.077 1.616 1.00 0.00 C ATOM 549 C VAL A 48 -1.599 -9.740 1.318 1.00 0.00 C ATOM 550 O VAL A 48 -0.465 -9.511 1.737 1.00 0.00 O ATOM 551 CB VAL A 48 -2.247 -11.448 3.100 1.00 0.00 C ATOM 552 CG1 VAL A 48 -3.070 -10.462 3.930 1.00 0.00 C ATOM 553 CG2 VAL A 48 -2.729 -12.884 3.317 1.00 0.00 C ATOM 0 H VAL A 48 -0.662 -11.971 0.630 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.331 -10.974 1.344 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.212 -11.387 3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.030 -10.749 4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.662 -9.458 3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.105 -10.475 3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.696 -13.122 4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.752 -12.983 2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.083 -13.571 2.771 1.00 0.00 H new ATOM 563 N LEU A 49 -2.318 -8.893 0.597 1.00 0.00 N ATOM 564 CA LEU A 49 -1.797 -7.585 0.239 1.00 0.00 C ATOM 565 C LEU A 49 -2.726 -6.502 0.791 1.00 0.00 C ATOM 566 O LEU A 49 -3.805 -6.268 0.248 1.00 0.00 O ATOM 567 CB LEU A 49 -1.575 -7.493 -1.272 1.00 0.00 C ATOM 568 CG LEU A 49 -0.199 -6.995 -1.719 1.00 0.00 C ATOM 569 CD1 LEU A 49 0.034 -7.284 -3.203 1.00 0.00 C ATOM 570 CD2 LEU A 49 -0.018 -5.512 -1.388 1.00 0.00 C ATOM 0 H LEU A 49 -3.258 -9.087 0.251 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.818 -7.427 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.740 -8.480 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.333 -6.831 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 49 0.560 -7.544 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.019 -6.920 -3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.022 -8.358 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.729 -6.780 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.968 -5.184 -1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.784 -4.929 -1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.110 -5.366 -0.312 1.00 0.00 H new ATOM 582 N GLU A 50 -2.273 -5.870 1.864 1.00 0.00 N ATOM 583 CA GLU A 50 -3.050 -4.817 2.496 1.00 0.00 C ATOM 584 C GLU A 50 -2.274 -3.498 2.473 1.00 0.00 C ATOM 585 O GLU A 50 -1.045 -3.497 2.488 1.00 0.00 O ATOM 586 CB GLU A 50 -3.434 -5.202 3.926 1.00 0.00 C ATOM 587 CG GLU A 50 -4.662 -6.115 3.937 1.00 0.00 C ATOM 588 CD GLU A 50 -5.954 -5.296 3.972 1.00 0.00 C ATOM 589 OE1 GLU A 50 -6.386 -4.870 2.879 1.00 0.00 O ATOM 590 OE2 GLU A 50 -6.481 -5.115 5.091 1.00 0.00 O ATOM 0 H GLU A 50 -1.378 -6.067 2.312 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.972 -4.684 1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.597 -5.707 4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.640 -4.302 4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.654 -6.751 3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.622 -6.774 4.804 1.00 0.00 H new ATOM 597 N LEU A 51 -3.026 -2.408 2.437 1.00 0.00 N ATOM 598 CA LEU A 51 -2.424 -1.085 2.411 1.00 0.00 C ATOM 599 C LEU A 51 -3.294 -0.118 3.217 1.00 0.00 C ATOM 600 O LEU A 51 -4.513 -0.277 3.277 1.00 0.00 O ATOM 601 CB LEU A 51 -2.178 -0.636 0.969 1.00 0.00 C ATOM 602 CG LEU A 51 -0.917 0.198 0.732 1.00 0.00 C ATOM 603 CD1 LEU A 51 -0.542 0.214 -0.751 1.00 0.00 C ATOM 604 CD2 LEU A 51 -1.079 1.610 1.298 1.00 0.00 C ATOM 0 H LEU A 51 -4.046 -2.413 2.425 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.443 -1.103 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.127 -1.523 0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.040 -0.057 0.638 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.091 -0.270 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.357 0.813 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.356 -0.805 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.360 0.645 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.169 2.181 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.920 2.103 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.263 1.553 2.371 1.00 0.00 H new ATOM 616 N ARG A 52 -2.634 0.862 3.816 1.00 0.00 N ATOM 617 CA ARG A 52 -3.332 1.854 4.616 1.00 0.00 C ATOM 618 C ARG A 52 -2.434 3.069 4.857 1.00 0.00 C ATOM 619 O ARG A 52 -1.214 2.979 4.728 1.00 0.00 O ATOM 620 CB ARG A 52 -3.764 1.272 5.963 1.00 0.00 C ATOM 621 CG ARG A 52 -5.164 1.756 6.347 1.00 0.00 C ATOM 622 CD ARG A 52 -6.230 1.110 5.459 1.00 0.00 C ATOM 623 NE ARG A 52 -7.578 1.388 6.003 1.00 0.00 N ATOM 624 CZ ARG A 52 -8.057 0.851 7.134 1.00 0.00 C ATOM 625 NH1 ARG A 52 -7.301 0.005 7.847 1.00 0.00 N ATOM 626 NH2 ARG A 52 -9.292 1.161 7.551 1.00 0.00 N ATOM 0 H ARG A 52 -1.623 0.990 3.763 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.221 2.159 4.064 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.753 0.183 5.913 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.051 1.563 6.734 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.362 1.516 7.392 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.216 2.841 6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.152 1.497 4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.066 0.034 5.404 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.180 2.028 5.485 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.361 -0.230 7.529 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.666 -0.403 8.708 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.867 1.805 7.008 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.657 0.753 8.411 1.00 0.00 H new ATOM 640 N ASN A 53 -3.072 4.177 5.204 1.00 0.00 N ATOM 641 CA ASN A 53 -2.346 5.408 5.465 1.00 0.00 C ATOM 642 C ASN A 53 -2.107 5.546 6.970 1.00 0.00 C ATOM 643 O ASN A 53 -2.824 4.950 7.772 1.00 0.00 O ATOM 644 CB ASN A 53 -3.144 6.628 4.999 1.00 0.00 C ATOM 645 CG ASN A 53 -2.233 7.844 4.822 1.00 0.00 C ATOM 646 OD1 ASN A 53 -1.666 8.370 5.765 1.00 0.00 O ATOM 647 ND2 ASN A 53 -2.125 8.260 3.563 1.00 0.00 N ATOM 0 H ASN A 53 -4.084 4.248 5.310 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.403 5.364 4.920 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.643 6.402 4.056 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.924 6.856 5.726 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.540 9.065 3.340 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.627 7.774 2.820 1.00 0.00 H new ATOM 654 N GLU A 54 -1.097 6.335 7.307 1.00 0.00 N ATOM 655 CA GLU A 54 -0.755 6.558 8.701 1.00 0.00 C ATOM 656 C GLU A 54 -0.696 8.057 9.000 1.00 0.00 C ATOM 657 O GLU A 54 -1.398 8.546 9.884 1.00 0.00 O ATOM 658 CB GLU A 54 0.567 5.875 9.058 1.00 0.00 C ATOM 659 CG GLU A 54 0.368 4.373 9.268 1.00 0.00 C ATOM 660 CD GLU A 54 0.376 4.022 10.758 1.00 0.00 C ATOM 661 OE1 GLU A 54 -0.724 4.046 11.352 1.00 0.00 O ATOM 662 OE2 GLU A 54 1.481 3.739 11.268 1.00 0.00 O ATOM 0 H GLU A 54 -0.505 6.828 6.638 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.534 6.114 9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.293 6.042 8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.978 6.321 9.963 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.577 4.062 8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.158 3.823 8.757 1.00 0.00 H new ATOM 669 N SER A 55 0.148 8.746 8.245 1.00 0.00 N ATOM 670 CA SER A 55 0.308 10.179 8.418 1.00 0.00 C ATOM 671 C SER A 55 1.101 10.467 9.694 1.00 0.00 C ATOM 672 O SER A 55 2.149 11.109 9.647 1.00 0.00 O ATOM 673 CB SER A 55 -1.050 10.883 8.466 1.00 0.00 C ATOM 674 OG SER A 55 -2.025 10.217 7.669 1.00 0.00 O ATOM 0 H SER A 55 0.728 8.338 7.512 1.00 0.00 H new ATOM 0 HA SER A 55 0.858 10.568 7.561 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.397 10.931 9.498 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.938 11.910 8.119 1.00 0.00 H new ATOM 0 HG SER A 55 -1.578 9.718 6.954 1.00 0.00 H new ATOM 680 N GLY A 56 0.569 9.979 10.806 1.00 0.00 N ATOM 681 CA GLY A 56 1.214 10.176 12.093 1.00 0.00 C ATOM 682 C GLY A 56 1.052 11.620 12.572 1.00 0.00 C ATOM 683 O GLY A 56 0.203 11.907 13.414 1.00 0.00 O ATOM 0 H GLY A 56 -0.301 9.448 10.842 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.784 9.495 12.827 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.273 9.932 12.014 1.00 0.00 H new ATOM 687 N GLY A 57 1.880 12.491 12.014 1.00 0.00 N ATOM 688 CA GLY A 57 1.839 13.898 12.373 1.00 0.00 C ATOM 689 C GLY A 57 3.116 14.615 11.928 1.00 0.00 C ATOM 690 O GLY A 57 3.651 15.448 12.659 1.00 0.00 O ATOM 0 H GLY A 57 2.583 12.249 11.316 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.972 14.370 11.910 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.718 13.998 13.452 1.00 0.00 H new ATOM 694 N HIS A 58 3.566 14.266 10.732 1.00 0.00 N ATOM 695 CA HIS A 58 4.770 14.865 10.181 1.00 0.00 C ATOM 696 C HIS A 58 4.460 16.281 9.692 1.00 0.00 C ATOM 697 O HIS A 58 3.334 16.758 9.831 1.00 0.00 O ATOM 698 CB HIS A 58 5.367 13.978 9.088 1.00 0.00 C ATOM 699 CG HIS A 58 4.347 13.421 8.123 1.00 0.00 C ATOM 700 ND1 HIS A 58 4.643 12.419 7.216 1.00 0.00 N ATOM 701 CD2 HIS A 58 3.034 13.737 7.935 1.00 0.00 C ATOM 702 CE1 HIS A 58 3.549 12.152 6.517 1.00 0.00 C ATOM 703 NE2 HIS A 58 2.553 12.970 6.964 1.00 0.00 N ATOM 0 H HIS A 58 3.119 13.576 10.129 1.00 0.00 H new ATOM 0 HA HIS A 58 5.530 14.944 10.958 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.104 14.554 8.529 1.00 0.00 H new ATOM 0 HB3 HIS A 58 5.899 13.150 9.557 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.479 14.484 8.483 1.00 0.00 H new ATOM 0 HE1 HIS A 58 3.461 11.416 5.731 1.00 0.00 H new ATOM 0 HE2 HIS A 58 1.596 12.989 6.610 1.00 0.00 H new ATOM 711 N ALA A 59 5.479 16.915 9.130 1.00 0.00 N ATOM 712 CA ALA A 59 5.329 18.267 8.619 1.00 0.00 C ATOM 713 C ALA A 59 5.028 18.211 7.120 1.00 0.00 C ATOM 714 O ALA A 59 5.942 18.254 6.298 1.00 0.00 O ATOM 715 CB ALA A 59 6.592 19.073 8.931 1.00 0.00 C ATOM 0 H ALA A 59 6.412 16.517 9.017 1.00 0.00 H new ATOM 0 HA ALA A 59 4.493 18.770 9.104 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.480 20.087 8.548 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.745 19.107 10.010 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.452 18.599 8.458 1.00 0.00 H new ATOM 721 N VAL A 60 3.744 18.116 6.810 1.00 0.00 N ATOM 722 CA VAL A 60 3.311 18.054 5.424 1.00 0.00 C ATOM 723 C VAL A 60 2.037 18.883 5.255 1.00 0.00 C ATOM 724 O VAL A 60 1.331 19.149 6.226 1.00 0.00 O ATOM 725 CB VAL A 60 3.137 16.595 4.995 1.00 0.00 C ATOM 726 CG1 VAL A 60 4.494 15.917 4.796 1.00 0.00 C ATOM 727 CG2 VAL A 60 2.281 15.826 6.004 1.00 0.00 C ATOM 0 H VAL A 60 2.989 18.080 7.495 1.00 0.00 H new ATOM 0 HA VAL A 60 4.068 18.484 4.768 1.00 0.00 H new ATOM 0 HB VAL A 60 2.615 16.586 4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.342 14.881 4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.054 16.444 4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.054 15.942 5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.173 14.792 5.676 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.763 15.848 6.981 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.297 16.289 6.074 1.00 0.00 H new ATOM 737 N PRO A 61 1.774 19.279 3.980 1.00 0.00 N ATOM 738 CA PRO A 61 0.597 20.073 3.671 1.00 0.00 C ATOM 739 C PRO A 61 -0.668 19.213 3.701 1.00 0.00 C ATOM 740 O PRO A 61 -0.673 18.093 3.192 1.00 0.00 O ATOM 741 CB PRO A 61 0.875 20.673 2.302 1.00 0.00 C ATOM 742 CG PRO A 61 1.983 19.828 1.695 1.00 0.00 C ATOM 743 CD PRO A 61 2.588 18.984 2.805 1.00 0.00 C ATOM 0 HA PRO A 61 0.414 20.858 4.405 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -0.018 20.653 1.678 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.181 21.716 2.387 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.587 19.191 0.904 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.743 20.464 1.242 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.557 17.923 2.558 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.634 19.241 2.973 1.00 0.00 H new ATOM 751 N ALA A 62 -1.710 19.769 4.302 1.00 0.00 N ATOM 752 CA ALA A 62 -2.977 19.067 4.405 1.00 0.00 C ATOM 753 C ALA A 62 -3.248 18.319 3.098 1.00 0.00 C ATOM 754 O ALA A 62 -3.084 18.876 2.014 1.00 0.00 O ATOM 755 CB ALA A 62 -4.087 20.063 4.747 1.00 0.00 C ATOM 0 H ALA A 62 -1.702 20.698 4.723 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.943 18.329 5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.038 19.536 4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.862 20.546 5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.153 20.817 3.963 1.00 0.00 H new ATOM 761 N GLY A 63 -3.659 17.068 3.243 1.00 0.00 N ATOM 762 CA GLY A 63 -3.955 16.238 2.088 1.00 0.00 C ATOM 763 C GLY A 63 -2.677 15.624 1.513 1.00 0.00 C ATOM 764 O GLY A 63 -2.356 15.832 0.344 1.00 0.00 O ATOM 0 H GLY A 63 -3.794 16.609 4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.647 15.446 2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.452 16.836 1.324 1.00 0.00 H new ATOM 768 N SER A 64 -1.982 14.879 2.361 1.00 0.00 N ATOM 769 CA SER A 64 -0.747 14.234 1.951 1.00 0.00 C ATOM 770 C SER A 64 -0.891 12.714 2.053 1.00 0.00 C ATOM 771 O SER A 64 -1.488 12.206 3.002 1.00 0.00 O ATOM 772 CB SER A 64 0.433 14.713 2.800 1.00 0.00 C ATOM 773 OG SER A 64 1.203 15.708 2.131 1.00 0.00 O ATOM 0 H SER A 64 -2.251 14.708 3.330 1.00 0.00 H new ATOM 0 HA SER A 64 -0.548 14.505 0.914 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.062 15.115 3.743 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.072 13.864 3.045 1.00 0.00 H new ATOM 0 HG SER A 64 0.815 16.592 2.302 1.00 0.00 H new ATOM 779 N GLU A 65 -0.336 12.031 1.064 1.00 0.00 N ATOM 780 CA GLU A 65 -0.395 10.580 1.030 1.00 0.00 C ATOM 781 C GLU A 65 1.013 9.993 0.918 1.00 0.00 C ATOM 782 O GLU A 65 1.272 9.151 0.059 1.00 0.00 O ATOM 783 CB GLU A 65 -1.285 10.094 -0.116 1.00 0.00 C ATOM 784 CG GLU A 65 -2.666 9.682 0.398 1.00 0.00 C ATOM 785 CD GLU A 65 -3.742 10.660 -0.078 1.00 0.00 C ATOM 786 OE1 GLU A 65 -3.412 11.861 -0.179 1.00 0.00 O ATOM 787 OE2 GLU A 65 -4.870 10.184 -0.330 1.00 0.00 O ATOM 0 H GLU A 65 0.157 12.456 0.279 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.838 10.232 1.963 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.391 10.884 -0.859 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.812 9.248 -0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.903 8.677 0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.657 9.647 1.487 1.00 0.00 H new ATOM 794 N THR A 66 1.887 10.461 1.798 1.00 0.00 N ATOM 795 CA THR A 66 3.262 9.993 1.808 1.00 0.00 C ATOM 796 C THR A 66 3.400 8.762 2.706 1.00 0.00 C ATOM 797 O THR A 66 3.477 7.637 2.215 1.00 0.00 O ATOM 798 CB THR A 66 4.155 11.160 2.235 1.00 0.00 C ATOM 799 OG1 THR A 66 3.693 11.490 3.542 1.00 0.00 O ATOM 800 CG2 THR A 66 3.896 12.426 1.417 1.00 0.00 C ATOM 0 H THR A 66 1.669 11.159 2.509 1.00 0.00 H new ATOM 0 HA THR A 66 3.577 9.669 0.816 1.00 0.00 H new ATOM 0 HB THR A 66 5.201 10.872 2.135 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.219 12.237 3.896 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.556 13.223 1.761 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.089 12.224 0.363 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.858 12.735 1.543 1.00 0.00 H new ATOM 808 N HIS A 67 3.427 9.017 4.006 1.00 0.00 N ATOM 809 CA HIS A 67 3.554 7.943 4.977 1.00 0.00 C ATOM 810 C HIS A 67 2.459 6.902 4.736 1.00 0.00 C ATOM 811 O HIS A 67 1.309 7.104 5.124 1.00 0.00 O ATOM 812 CB HIS A 67 3.543 8.497 6.403 1.00 0.00 C ATOM 813 CG HIS A 67 4.497 7.797 7.341 1.00 0.00 C ATOM 814 ND1 HIS A 67 4.128 6.708 8.111 1.00 0.00 N ATOM 815 CD2 HIS A 67 5.810 8.040 7.622 1.00 0.00 C ATOM 816 CE1 HIS A 67 5.178 6.323 8.822 1.00 0.00 C ATOM 817 NE2 HIS A 67 6.219 7.150 8.518 1.00 0.00 N ATOM 0 H HIS A 67 3.363 9.952 4.410 1.00 0.00 H new ATOM 0 HA HIS A 67 4.515 7.444 4.851 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.793 9.557 6.372 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.533 8.419 6.804 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.414 8.824 7.189 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.205 5.499 9.520 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.157 7.094 8.914 1.00 0.00 H new ATOM 825 N PHE A 68 2.855 5.810 4.099 1.00 0.00 N ATOM 826 CA PHE A 68 1.922 4.737 3.803 1.00 0.00 C ATOM 827 C PHE A 68 2.387 3.419 4.425 1.00 0.00 C ATOM 828 O PHE A 68 3.567 3.256 4.734 1.00 0.00 O ATOM 829 CB PHE A 68 1.885 4.583 2.281 1.00 0.00 C ATOM 830 CG PHE A 68 0.620 5.146 1.629 1.00 0.00 C ATOM 831 CD1 PHE A 68 -0.604 4.736 2.055 1.00 0.00 C ATOM 832 CD2 PHE A 68 0.721 6.057 0.624 1.00 0.00 C ATOM 833 CE1 PHE A 68 -1.778 5.259 1.451 1.00 0.00 C ATOM 834 CE2 PHE A 68 -0.453 6.579 0.019 1.00 0.00 C ATOM 835 CZ PHE A 68 -1.677 6.170 0.445 1.00 0.00 C ATOM 0 H PHE A 68 3.810 5.645 3.780 1.00 0.00 H new ATOM 0 HA PHE A 68 0.940 4.975 4.212 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.755 5.083 1.854 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.971 3.526 2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.684 4.012 2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.694 6.383 0.286 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.751 4.934 1.790 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.373 7.301 -0.780 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.570 6.568 -0.015 1.00 0.00 H new ATOM 845 N ARG A 69 1.436 2.511 4.590 1.00 0.00 N ATOM 846 CA ARG A 69 1.734 1.212 5.169 1.00 0.00 C ATOM 847 C ARG A 69 1.099 0.100 4.333 1.00 0.00 C ATOM 848 O ARG A 69 -0.118 0.072 4.151 1.00 0.00 O ATOM 849 CB ARG A 69 1.217 1.119 6.606 1.00 0.00 C ATOM 850 CG ARG A 69 1.766 -0.125 7.307 1.00 0.00 C ATOM 851 CD ARG A 69 1.797 0.069 8.825 1.00 0.00 C ATOM 852 NE ARG A 69 3.197 0.169 9.294 1.00 0.00 N ATOM 853 CZ ARG A 69 3.559 0.693 10.473 1.00 0.00 C ATOM 854 NH1 ARG A 69 2.626 1.167 11.310 1.00 0.00 N ATOM 855 NH2 ARG A 69 4.853 0.742 10.816 1.00 0.00 N ATOM 0 H ARG A 69 0.459 2.649 4.333 1.00 0.00 H new ATOM 0 HA ARG A 69 2.817 1.092 5.176 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.509 2.011 7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.127 1.088 6.603 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.148 -0.988 7.060 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.771 -0.338 6.943 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.249 0.971 9.096 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.299 -0.766 9.317 1.00 0.00 H new ATOM 0 HE ARG A 69 3.933 -0.183 8.681 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.641 1.129 11.050 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.901 1.566 12.207 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.563 0.380 10.180 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.128 1.141 11.714 1.00 0.00 H new ATOM 869 N VAL A 70 1.951 -0.791 3.846 1.00 0.00 N ATOM 870 CA VAL A 70 1.488 -1.903 3.033 1.00 0.00 C ATOM 871 C VAL A 70 1.953 -3.217 3.663 1.00 0.00 C ATOM 872 O VAL A 70 3.073 -3.307 4.165 1.00 0.00 O ATOM 873 CB VAL A 70 1.964 -1.730 1.590 1.00 0.00 C ATOM 874 CG1 VAL A 70 3.379 -2.284 1.409 1.00 0.00 C ATOM 875 CG2 VAL A 70 0.989 -2.384 0.609 1.00 0.00 C ATOM 0 H VAL A 70 2.959 -0.765 3.999 1.00 0.00 H new ATOM 0 HA VAL A 70 0.399 -1.925 3.001 1.00 0.00 H new ATOM 0 HB VAL A 70 1.992 -0.662 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.693 -2.148 0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.065 -1.753 2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.388 -3.346 1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.351 -2.246 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.914 -3.449 0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.007 -1.923 0.710 1.00 0.00 H new ATOM 885 N ALA A 71 1.071 -4.204 3.615 1.00 0.00 N ATOM 886 CA ALA A 71 1.377 -5.510 4.174 1.00 0.00 C ATOM 887 C ALA A 71 1.332 -6.560 3.062 1.00 0.00 C ATOM 888 O ALA A 71 0.256 -7.018 2.680 1.00 0.00 O ATOM 889 CB ALA A 71 0.401 -5.821 5.310 1.00 0.00 C ATOM 0 H ALA A 71 0.144 -4.126 3.197 1.00 0.00 H new ATOM 0 HA ALA A 71 2.382 -5.520 4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.631 -6.801 5.729 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.494 -5.063 6.088 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.618 -5.822 4.924 1.00 0.00 H new ATOM 895 N VAL A 72 2.513 -6.911 2.575 1.00 0.00 N ATOM 896 CA VAL A 72 2.621 -7.898 1.515 1.00 0.00 C ATOM 897 C VAL A 72 2.898 -9.272 2.129 1.00 0.00 C ATOM 898 O VAL A 72 3.679 -9.388 3.072 1.00 0.00 O ATOM 899 CB VAL A 72 3.688 -7.468 0.506 1.00 0.00 C ATOM 900 CG1 VAL A 72 5.084 -7.516 1.130 1.00 0.00 C ATOM 901 CG2 VAL A 72 3.623 -8.325 -0.760 1.00 0.00 C ATOM 0 H VAL A 72 3.403 -6.529 2.895 1.00 0.00 H new ATOM 0 HA VAL A 72 1.683 -7.971 0.965 1.00 0.00 H new ATOM 0 HB VAL A 72 3.484 -6.436 0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.823 -7.206 0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.123 -6.844 1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.302 -8.533 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.392 -7.998 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.789 -9.371 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.642 -8.217 -1.222 1.00 0.00 H new ATOM 911 N VAL A 73 2.244 -10.279 1.569 1.00 0.00 N ATOM 912 CA VAL A 73 2.410 -11.639 2.050 1.00 0.00 C ATOM 913 C VAL A 73 2.641 -12.572 0.859 1.00 0.00 C ATOM 914 O VAL A 73 1.692 -13.128 0.308 1.00 0.00 O ATOM 915 CB VAL A 73 1.206 -12.044 2.901 1.00 0.00 C ATOM 916 CG1 VAL A 73 1.306 -13.509 3.331 1.00 0.00 C ATOM 917 CG2 VAL A 73 1.059 -11.125 4.116 1.00 0.00 C ATOM 0 H VAL A 73 1.598 -10.180 0.786 1.00 0.00 H new ATOM 0 HA VAL A 73 3.286 -11.711 2.695 1.00 0.00 H new ATOM 0 HB VAL A 73 0.311 -11.935 2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.437 -13.771 3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.339 -14.146 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.213 -13.655 3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.195 -11.435 4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.957 -11.187 4.730 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.919 -10.097 3.780 1.00 0.00 H new ATOM 927 N SER A 74 3.908 -12.714 0.496 1.00 0.00 N ATOM 928 CA SER A 74 4.275 -13.570 -0.619 1.00 0.00 C ATOM 929 C SER A 74 5.482 -14.431 -0.243 1.00 0.00 C ATOM 930 O SER A 74 6.154 -14.163 0.752 1.00 0.00 O ATOM 931 CB SER A 74 4.582 -12.743 -1.869 1.00 0.00 C ATOM 932 OG SER A 74 3.730 -13.085 -2.959 1.00 0.00 O ATOM 0 H SER A 74 4.693 -12.251 0.954 1.00 0.00 H new ATOM 0 HA SER A 74 3.430 -14.220 -0.844 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.469 -11.683 -1.639 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.621 -12.897 -2.159 1.00 0.00 H new ATOM 0 HG SER A 74 3.957 -12.534 -3.737 1.00 0.00 H new ATOM 938 N SER A 75 5.721 -15.448 -1.057 1.00 0.00 N ATOM 939 CA SER A 75 6.835 -16.351 -0.822 1.00 0.00 C ATOM 940 C SER A 75 8.105 -15.793 -1.467 1.00 0.00 C ATOM 941 O SER A 75 9.187 -16.354 -1.303 1.00 0.00 O ATOM 942 CB SER A 75 6.535 -17.750 -1.364 1.00 0.00 C ATOM 943 OG SER A 75 6.489 -17.772 -2.788 1.00 0.00 O ATOM 0 H SER A 75 5.162 -15.667 -1.881 1.00 0.00 H new ATOM 0 HA SER A 75 6.987 -16.433 0.254 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.298 -18.445 -1.015 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.582 -18.097 -0.965 1.00 0.00 H new ATOM 0 HG SER A 75 6.297 -18.683 -3.095 1.00 0.00 H new ATOM 949 N ARG A 76 7.931 -14.695 -2.188 1.00 0.00 N ATOM 950 CA ARG A 76 9.050 -14.055 -2.859 1.00 0.00 C ATOM 951 C ARG A 76 10.157 -13.732 -1.854 1.00 0.00 C ATOM 952 O ARG A 76 11.341 -13.819 -2.179 1.00 0.00 O ATOM 953 CB ARG A 76 8.611 -12.765 -3.555 1.00 0.00 C ATOM 954 CG ARG A 76 7.903 -13.069 -4.877 1.00 0.00 C ATOM 955 CD ARG A 76 8.883 -13.010 -6.050 1.00 0.00 C ATOM 956 NE ARG A 76 9.991 -13.968 -5.833 1.00 0.00 N ATOM 957 CZ ARG A 76 9.918 -15.277 -6.112 1.00 0.00 C ATOM 958 NH1 ARG A 76 8.790 -15.791 -6.621 1.00 0.00 N ATOM 959 NH2 ARG A 76 10.973 -16.070 -5.882 1.00 0.00 N ATOM 0 H ARG A 76 7.032 -14.232 -2.322 1.00 0.00 H new ATOM 0 HA ARG A 76 9.427 -14.749 -3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.943 -12.204 -2.901 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.480 -12.134 -3.740 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.446 -14.057 -4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.097 -12.352 -5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.365 -13.245 -6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.280 -12.000 -6.153 1.00 0.00 H new ATOM 0 HE ARG A 76 10.864 -13.609 -5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.988 -15.186 -6.796 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.734 -16.787 -6.834 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.831 -15.678 -5.495 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.918 -17.066 -6.094 1.00 0.00 H new ATOM 973 N PHE A 77 9.734 -13.368 -0.652 1.00 0.00 N ATOM 974 CA PHE A 77 10.675 -13.032 0.402 1.00 0.00 C ATOM 975 C PHE A 77 10.963 -14.246 1.287 1.00 0.00 C ATOM 976 O PHE A 77 11.022 -14.128 2.510 1.00 0.00 O ATOM 977 CB PHE A 77 10.023 -11.939 1.252 1.00 0.00 C ATOM 978 CG PHE A 77 9.288 -10.873 0.438 1.00 0.00 C ATOM 979 CD1 PHE A 77 9.960 -10.147 -0.496 1.00 0.00 C ATOM 980 CD2 PHE A 77 7.963 -10.651 0.648 1.00 0.00 C ATOM 981 CE1 PHE A 77 9.277 -9.158 -1.252 1.00 0.00 C ATOM 982 CE2 PHE A 77 7.280 -9.661 -0.108 1.00 0.00 C ATOM 983 CZ PHE A 77 7.952 -8.935 -1.042 1.00 0.00 C ATOM 0 H PHE A 77 8.752 -13.299 -0.385 1.00 0.00 H new ATOM 0 HA PHE A 77 11.618 -12.701 -0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.320 -12.402 1.944 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.791 -11.455 1.855 1.00 0.00 H new ATOM 0 HD1 PHE A 77 11.013 -10.323 -0.662 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.430 -11.227 1.390 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.810 -8.582 -1.994 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.228 -9.485 0.059 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.433 -8.182 -1.617 1.00 0.00 H new ATOM 993 N GLU A 78 11.136 -15.386 0.635 1.00 0.00 N ATOM 994 CA GLU A 78 11.416 -16.621 1.347 1.00 0.00 C ATOM 995 C GLU A 78 12.912 -16.731 1.651 1.00 0.00 C ATOM 996 O GLU A 78 13.653 -17.377 0.912 1.00 0.00 O ATOM 997 CB GLU A 78 10.927 -17.835 0.554 1.00 0.00 C ATOM 998 CG GLU A 78 9.593 -18.346 1.101 1.00 0.00 C ATOM 999 CD GLU A 78 9.764 -19.708 1.779 1.00 0.00 C ATOM 1000 OE1 GLU A 78 10.861 -19.932 2.334 1.00 0.00 O ATOM 1001 OE2 GLU A 78 8.793 -20.493 1.726 1.00 0.00 O ATOM 0 H GLU A 78 11.088 -15.480 -0.379 1.00 0.00 H new ATOM 0 HA GLU A 78 10.873 -16.603 2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.814 -17.566 -0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.672 -18.629 0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.190 -17.628 1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.870 -18.428 0.289 1.00 0.00 H new ATOM 1008 N GLY A 79 13.310 -16.090 2.740 1.00 0.00 N ATOM 1009 CA GLY A 79 14.704 -16.107 3.150 1.00 0.00 C ATOM 1010 C GLY A 79 15.414 -14.817 2.736 1.00 0.00 C ATOM 1011 O GLY A 79 16.401 -14.421 3.354 1.00 0.00 O ATOM 0 H GLY A 79 12.692 -15.556 3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.767 -16.230 4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.208 -16.963 2.702 1.00 0.00 H new ATOM 1015 N MET A 80 14.883 -14.196 1.693 1.00 0.00 N ATOM 1016 CA MET A 80 15.454 -12.958 1.189 1.00 0.00 C ATOM 1017 C MET A 80 15.836 -12.023 2.338 1.00 0.00 C ATOM 1018 O MET A 80 15.426 -12.234 3.478 1.00 0.00 O ATOM 1019 CB MET A 80 14.440 -12.262 0.279 1.00 0.00 C ATOM 1020 CG MET A 80 14.296 -13.004 -1.051 1.00 0.00 C ATOM 1021 SD MET A 80 14.913 -11.991 -2.385 1.00 0.00 S ATOM 1022 CE MET A 80 13.377 -11.331 -3.010 1.00 0.00 C ATOM 0 H MET A 80 14.064 -14.527 1.183 1.00 0.00 H new ATOM 0 HA MET A 80 16.356 -13.198 0.626 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.472 -12.212 0.778 1.00 0.00 H new ATOM 0 HB3 MET A 80 14.757 -11.235 0.094 1.00 0.00 H new ATOM 0 HG2 MET A 80 14.846 -13.945 -1.013 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.249 -13.253 -1.227 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.173 -11.753 -3.994 1.00 0.00 H new ATOM 0 HE2 MET A 80 12.566 -11.590 -2.329 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.452 -10.246 -3.089 1.00 0.00 H new ATOM 1032 N SER A 81 16.617 -11.008 1.997 1.00 0.00 N ATOM 1033 CA SER A 81 17.059 -10.040 2.986 1.00 0.00 C ATOM 1034 C SER A 81 15.910 -9.094 3.343 1.00 0.00 C ATOM 1035 O SER A 81 14.880 -9.082 2.671 1.00 0.00 O ATOM 1036 CB SER A 81 18.263 -9.244 2.478 1.00 0.00 C ATOM 1037 OG SER A 81 19.429 -9.481 3.262 1.00 0.00 O ATOM 0 H SER A 81 16.955 -10.835 1.050 1.00 0.00 H new ATOM 0 HA SER A 81 17.367 -10.582 3.880 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.463 -9.512 1.441 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.026 -8.180 2.493 1.00 0.00 H new ATOM 0 HG SER A 81 20.176 -8.956 2.905 1.00 0.00 H new ATOM 1043 N PRO A 82 16.131 -8.305 4.428 1.00 0.00 N ATOM 1044 CA PRO A 82 15.127 -7.358 4.882 1.00 0.00 C ATOM 1045 C PRO A 82 15.069 -6.137 3.962 1.00 0.00 C ATOM 1046 O PRO A 82 14.029 -5.489 3.849 1.00 0.00 O ATOM 1047 CB PRO A 82 15.529 -7.010 6.306 1.00 0.00 C ATOM 1048 CG PRO A 82 16.990 -7.410 6.436 1.00 0.00 C ATOM 1049 CD PRO A 82 17.339 -8.292 5.248 1.00 0.00 C ATOM 0 HA PRO A 82 14.118 -7.770 4.857 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.397 -5.946 6.500 1.00 0.00 H new ATOM 0 HB3 PRO A 82 14.912 -7.545 7.028 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.628 -6.526 6.456 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.158 -7.945 7.371 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.189 -7.893 4.695 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.611 -9.298 5.568 1.00 0.00 H new ATOM 1057 N LEU A 83 16.198 -5.860 3.327 1.00 0.00 N ATOM 1058 CA LEU A 83 16.289 -4.728 2.421 1.00 0.00 C ATOM 1059 C LEU A 83 15.695 -5.117 1.065 1.00 0.00 C ATOM 1060 O LEU A 83 14.844 -4.407 0.530 1.00 0.00 O ATOM 1061 CB LEU A 83 17.730 -4.222 2.338 1.00 0.00 C ATOM 1062 CG LEU A 83 17.978 -3.056 1.378 1.00 0.00 C ATOM 1063 CD1 LEU A 83 17.330 -1.771 1.898 1.00 0.00 C ATOM 1064 CD2 LEU A 83 19.473 -2.876 1.109 1.00 0.00 C ATOM 0 H LEU A 83 17.058 -6.400 3.422 1.00 0.00 H new ATOM 0 HA LEU A 83 15.703 -3.890 2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.045 -3.918 3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 83 18.369 -5.053 2.041 1.00 0.00 H new ATOM 0 HG LEU A 83 17.506 -3.292 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 83 17.521 -0.958 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 83 16.255 -1.920 1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 83 17.752 -1.519 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 83 19.622 -2.041 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 83 19.989 -2.672 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.875 -3.786 0.664 1.00 0.00 H new ATOM 1076 N GLN A 84 16.166 -6.242 0.549 1.00 0.00 N ATOM 1077 CA GLN A 84 15.692 -6.734 -0.733 1.00 0.00 C ATOM 1078 C GLN A 84 14.162 -6.720 -0.774 1.00 0.00 C ATOM 1079 O GLN A 84 13.569 -6.395 -1.801 1.00 0.00 O ATOM 1080 CB GLN A 84 16.236 -8.135 -1.018 1.00 0.00 C ATOM 1081 CG GLN A 84 17.757 -8.111 -1.178 1.00 0.00 C ATOM 1082 CD GLN A 84 18.276 -9.456 -1.690 1.00 0.00 C ATOM 1083 OE1 GLN A 84 19.131 -10.089 -1.092 1.00 0.00 O ATOM 1084 NE2 GLN A 84 17.713 -9.856 -2.826 1.00 0.00 N ATOM 0 H GLN A 84 16.872 -6.828 0.996 1.00 0.00 H new ATOM 0 HA GLN A 84 16.063 -6.071 -1.515 1.00 0.00 H new ATOM 0 HB2 GLN A 84 15.963 -8.807 -0.205 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.778 -8.529 -1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 84 18.041 -7.320 -1.872 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.223 -7.878 -0.221 1.00 0.00 H new ATOM 0 HE21 GLN A 84 17.003 -9.277 -3.275 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.991 -10.742 -3.249 1.00 0.00 H new ATOM 1093 N ARG A 85 13.569 -7.076 0.355 1.00 0.00 N ATOM 1094 CA ARG A 85 12.120 -7.109 0.461 1.00 0.00 C ATOM 1095 C ARG A 85 11.525 -5.769 0.022 1.00 0.00 C ATOM 1096 O ARG A 85 10.810 -5.701 -0.977 1.00 0.00 O ATOM 1097 CB ARG A 85 11.679 -7.409 1.895 1.00 0.00 C ATOM 1098 CG ARG A 85 11.887 -8.886 2.235 1.00 0.00 C ATOM 1099 CD ARG A 85 11.981 -9.093 3.748 1.00 0.00 C ATOM 1100 NE ARG A 85 12.892 -10.220 4.049 1.00 0.00 N ATOM 1101 CZ ARG A 85 13.186 -10.638 5.288 1.00 0.00 C ATOM 1102 NH1 ARG A 85 12.641 -10.026 6.348 1.00 0.00 N ATOM 1103 NH2 ARG A 85 14.023 -11.669 5.466 1.00 0.00 N ATOM 0 H ARG A 85 14.065 -7.344 1.205 1.00 0.00 H new ATOM 0 HA ARG A 85 11.758 -7.903 -0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.245 -6.789 2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.628 -7.148 2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.062 -9.475 1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.798 -9.248 1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.344 -8.183 4.226 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.991 -9.295 4.158 1.00 0.00 H new ATOM 0 HE ARG A 85 13.323 -10.709 3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.003 -9.242 6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.865 -10.344 7.291 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.436 -12.136 4.659 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.247 -11.987 6.409 1.00 0.00 H new ATOM 1117 N HIS A 86 11.843 -4.737 0.790 1.00 0.00 N ATOM 1118 CA HIS A 86 11.349 -3.403 0.492 1.00 0.00 C ATOM 1119 C HIS A 86 11.764 -3.007 -0.926 1.00 0.00 C ATOM 1120 O HIS A 86 11.049 -2.268 -1.602 1.00 0.00 O ATOM 1121 CB HIS A 86 11.818 -2.402 1.549 1.00 0.00 C ATOM 1122 CG HIS A 86 11.138 -2.558 2.888 1.00 0.00 C ATOM 1123 ND1 HIS A 86 10.775 -1.479 3.676 1.00 0.00 N ATOM 1124 CD2 HIS A 86 10.757 -3.677 3.570 1.00 0.00 C ATOM 1125 CE1 HIS A 86 10.204 -1.940 4.779 1.00 0.00 C ATOM 1126 NE2 HIS A 86 10.195 -3.302 4.712 1.00 0.00 N ATOM 0 H HIS A 86 12.436 -4.798 1.618 1.00 0.00 H new ATOM 0 HA HIS A 86 10.260 -3.398 0.529 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.894 -2.510 1.685 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.643 -1.391 1.180 1.00 0.00 H new ATOM 0 HD2 HIS A 86 10.890 -4.696 3.237 1.00 0.00 H new ATOM 0 HE1 HIS A 86 9.814 -1.342 5.589 1.00 0.00 H new ATOM 0 HE2 HIS A 86 9.818 -3.929 5.423 1.00 0.00 H new ATOM 1134 N ARG A 87 12.918 -3.514 -1.334 1.00 0.00 N ATOM 1135 CA ARG A 87 13.437 -3.222 -2.660 1.00 0.00 C ATOM 1136 C ARG A 87 12.536 -3.841 -3.730 1.00 0.00 C ATOM 1137 O ARG A 87 12.305 -3.238 -4.777 1.00 0.00 O ATOM 1138 CB ARG A 87 14.859 -3.761 -2.825 1.00 0.00 C ATOM 1139 CG ARG A 87 15.507 -3.215 -4.099 1.00 0.00 C ATOM 1140 CD ARG A 87 16.703 -4.073 -4.516 1.00 0.00 C ATOM 1141 NE ARG A 87 17.873 -3.210 -4.794 1.00 0.00 N ATOM 1142 CZ ARG A 87 17.936 -2.331 -5.804 1.00 0.00 C ATOM 1143 NH1 ARG A 87 16.897 -2.195 -6.639 1.00 0.00 N ATOM 1144 NH2 ARG A 87 19.038 -1.590 -5.979 1.00 0.00 N ATOM 0 H ARG A 87 13.508 -4.125 -0.770 1.00 0.00 H new ATOM 0 HA ARG A 87 13.456 -2.139 -2.779 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.460 -3.483 -1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.837 -4.850 -2.862 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.773 -3.193 -4.904 1.00 0.00 H new ATOM 0 HG3 ARG A 87 15.832 -2.187 -3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 87 16.945 -4.784 -3.725 1.00 0.00 H new ATOM 0 HD3 ARG A 87 16.452 -4.656 -5.402 1.00 0.00 H new ATOM 0 HE ARG A 87 18.682 -3.289 -4.178 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.058 -2.760 -6.506 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.945 -1.526 -7.408 1.00 0.00 H new ATOM 0 HH21 ARG A 87 19.829 -1.695 -5.344 1.00 0.00 H new ATOM 0 HH22 ARG A 87 19.086 -0.921 -6.748 1.00 0.00 H new ATOM 1158 N LEU A 88 12.052 -5.038 -3.432 1.00 0.00 N ATOM 1159 CA LEU A 88 11.182 -5.745 -4.356 1.00 0.00 C ATOM 1160 C LEU A 88 9.996 -4.850 -4.719 1.00 0.00 C ATOM 1161 O LEU A 88 9.666 -4.697 -5.894 1.00 0.00 O ATOM 1162 CB LEU A 88 10.774 -7.101 -3.776 1.00 0.00 C ATOM 1163 CG LEU A 88 11.501 -8.321 -4.347 1.00 0.00 C ATOM 1164 CD1 LEU A 88 10.775 -8.864 -5.580 1.00 0.00 C ATOM 1165 CD2 LEU A 88 12.967 -7.997 -4.642 1.00 0.00 C ATOM 0 H LEU A 88 12.246 -5.536 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 88 11.710 -5.966 -5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.937 -7.077 -2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.704 -7.234 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 88 11.490 -9.109 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.312 -9.730 -5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 88 9.762 -9.158 -5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.733 -8.091 -6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 88 13.461 -8.881 -5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 88 13.021 -7.186 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 88 13.465 -7.693 -3.721 1.00 0.00 H new ATOM 1177 N VAL A 89 9.386 -4.282 -3.689 1.00 0.00 N ATOM 1178 CA VAL A 89 8.244 -3.406 -3.885 1.00 0.00 C ATOM 1179 C VAL A 89 8.713 -2.100 -4.530 1.00 0.00 C ATOM 1180 O VAL A 89 8.042 -1.562 -5.410 1.00 0.00 O ATOM 1181 CB VAL A 89 7.516 -3.189 -2.557 1.00 0.00 C ATOM 1182 CG1 VAL A 89 6.289 -2.295 -2.744 1.00 0.00 C ATOM 1183 CG2 VAL A 89 7.130 -4.525 -1.919 1.00 0.00 C ATOM 0 H VAL A 89 9.662 -4.412 -2.716 1.00 0.00 H new ATOM 0 HA VAL A 89 7.524 -3.864 -4.564 1.00 0.00 H new ATOM 0 HB VAL A 89 8.201 -2.680 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.790 -2.157 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.601 -1.326 -3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.601 -2.764 -3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.614 -4.342 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.472 -5.073 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.029 -5.112 -1.733 1.00 0.00 H new ATOM 1193 N HIS A 90 9.861 -1.628 -4.067 1.00 0.00 N ATOM 1194 CA HIS A 90 10.427 -0.395 -4.588 1.00 0.00 C ATOM 1195 C HIS A 90 10.720 -0.555 -6.081 1.00 0.00 C ATOM 1196 O HIS A 90 10.529 0.378 -6.859 1.00 0.00 O ATOM 1197 CB HIS A 90 11.660 0.019 -3.783 1.00 0.00 C ATOM 1198 CG HIS A 90 11.396 0.210 -2.308 1.00 0.00 C ATOM 1199 ND1 HIS A 90 12.401 0.472 -1.394 1.00 0.00 N ATOM 1200 CD2 HIS A 90 10.230 0.175 -1.600 1.00 0.00 C ATOM 1201 CE1 HIS A 90 11.854 0.587 -0.193 1.00 0.00 C ATOM 1202 NE2 HIS A 90 10.509 0.402 -0.322 1.00 0.00 N ATOM 0 H HIS A 90 10.414 -2.077 -3.337 1.00 0.00 H new ATOM 0 HA HIS A 90 9.705 0.415 -4.480 1.00 0.00 H new ATOM 0 HB2 HIS A 90 12.434 -0.739 -3.908 1.00 0.00 H new ATOM 0 HB3 HIS A 90 12.054 0.948 -4.194 1.00 0.00 H new ATOM 0 HD1 HIS A 90 13.394 0.561 -1.608 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.247 -0.006 -2.010 1.00 0.00 H new ATOM 0 HE1 HIS A 90 12.381 0.791 0.727 1.00 0.00 H new ATOM 1210 N GLU A 91 11.180 -1.746 -6.436 1.00 0.00 N ATOM 1211 CA GLU A 91 11.501 -2.041 -7.823 1.00 0.00 C ATOM 1212 C GLU A 91 10.260 -1.876 -8.702 1.00 0.00 C ATOM 1213 O GLU A 91 10.321 -1.243 -9.755 1.00 0.00 O ATOM 1214 CB GLU A 91 12.089 -3.446 -7.962 1.00 0.00 C ATOM 1215 CG GLU A 91 13.541 -3.388 -8.440 1.00 0.00 C ATOM 1216 CD GLU A 91 13.862 -4.565 -9.364 1.00 0.00 C ATOM 1217 OE1 GLU A 91 12.920 -5.025 -10.045 1.00 0.00 O ATOM 1218 OE2 GLU A 91 15.042 -4.979 -9.367 1.00 0.00 O ATOM 0 H GLU A 91 11.338 -2.518 -5.788 1.00 0.00 H new ATOM 0 HA GLU A 91 12.257 -1.331 -8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.038 -3.962 -7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.493 -4.025 -8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.717 -2.450 -8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.211 -3.402 -7.581 1.00 0.00 H new ATOM 1225 N ALA A 92 9.163 -2.457 -8.237 1.00 0.00 N ATOM 1226 CA ALA A 92 7.910 -2.382 -8.968 1.00 0.00 C ATOM 1227 C ALA A 92 7.301 -0.990 -8.786 1.00 0.00 C ATOM 1228 O ALA A 92 6.733 -0.430 -9.723 1.00 0.00 O ATOM 1229 CB ALA A 92 6.974 -3.495 -8.492 1.00 0.00 C ATOM 0 H ALA A 92 9.117 -2.981 -7.363 1.00 0.00 H new ATOM 0 HA ALA A 92 8.078 -2.531 -10.035 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.034 -3.439 -9.040 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.441 -4.464 -8.670 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.780 -3.376 -7.426 1.00 0.00 H new ATOM 1235 N LEU A 93 7.439 -0.473 -7.575 1.00 0.00 N ATOM 1236 CA LEU A 93 6.909 0.843 -7.258 1.00 0.00 C ATOM 1237 C LEU A 93 8.067 1.795 -6.953 1.00 0.00 C ATOM 1238 O LEU A 93 8.152 2.342 -5.854 1.00 0.00 O ATOM 1239 CB LEU A 93 5.877 0.748 -6.132 1.00 0.00 C ATOM 1240 CG LEU A 93 4.564 0.047 -6.483 1.00 0.00 C ATOM 1241 CD1 LEU A 93 4.148 0.350 -7.923 1.00 0.00 C ATOM 1242 CD2 LEU A 93 4.657 -1.457 -6.218 1.00 0.00 C ATOM 0 H LEU A 93 7.910 -0.941 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 93 6.375 1.255 -8.114 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.332 0.224 -5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.647 1.757 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 93 3.783 0.441 -5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.211 -0.161 -8.146 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.013 1.425 -8.044 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.923 0.002 -8.606 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.710 -1.931 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.454 -1.885 -6.826 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.873 -1.628 -5.163 1.00 0.00 H new ATOM 1254 N SER A 94 8.930 1.963 -7.944 1.00 0.00 N ATOM 1255 CA SER A 94 10.080 2.839 -7.795 1.00 0.00 C ATOM 1256 C SER A 94 9.661 4.294 -8.015 1.00 0.00 C ATOM 1257 O SER A 94 10.269 5.209 -7.463 1.00 0.00 O ATOM 1258 CB SER A 94 11.195 2.454 -8.769 1.00 0.00 C ATOM 1259 OG SER A 94 12.152 1.585 -8.169 1.00 0.00 O ATOM 0 H SER A 94 8.856 1.507 -8.854 1.00 0.00 H new ATOM 0 HA SER A 94 10.466 2.728 -6.782 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.761 1.967 -9.643 1.00 0.00 H new ATOM 0 HB3 SER A 94 11.695 3.356 -9.122 1.00 0.00 H new ATOM 0 HG SER A 94 11.782 1.212 -7.342 1.00 0.00 H new ATOM 1265 N GLU A 95 8.624 4.462 -8.823 1.00 0.00 N ATOM 1266 CA GLU A 95 8.117 5.790 -9.124 1.00 0.00 C ATOM 1267 C GLU A 95 7.159 6.253 -8.024 1.00 0.00 C ATOM 1268 O GLU A 95 6.785 7.424 -7.975 1.00 0.00 O ATOM 1269 CB GLU A 95 7.435 5.820 -10.493 1.00 0.00 C ATOM 1270 CG GLU A 95 8.467 5.928 -11.617 1.00 0.00 C ATOM 1271 CD GLU A 95 8.966 7.367 -11.767 1.00 0.00 C ATOM 1272 OE1 GLU A 95 8.191 8.277 -11.402 1.00 0.00 O ATOM 1273 OE2 GLU A 95 10.111 7.524 -12.243 1.00 0.00 O ATOM 0 H GLU A 95 8.121 3.700 -9.278 1.00 0.00 H new ATOM 0 HA GLU A 95 8.960 6.480 -9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.840 4.917 -10.627 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.748 6.665 -10.543 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.308 5.268 -11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.025 5.593 -12.555 1.00 0.00 H new ATOM 1280 N GLU A 96 6.791 5.311 -7.169 1.00 0.00 N ATOM 1281 CA GLU A 96 5.884 5.608 -6.073 1.00 0.00 C ATOM 1282 C GLU A 96 6.640 6.284 -4.927 1.00 0.00 C ATOM 1283 O GLU A 96 6.115 7.189 -4.281 1.00 0.00 O ATOM 1284 CB GLU A 96 5.174 4.342 -5.590 1.00 0.00 C ATOM 1285 CG GLU A 96 4.434 3.656 -6.740 1.00 0.00 C ATOM 1286 CD GLU A 96 3.340 4.564 -7.306 1.00 0.00 C ATOM 1287 OE1 GLU A 96 2.775 5.340 -6.505 1.00 0.00 O ATOM 1288 OE2 GLU A 96 3.092 4.461 -8.527 1.00 0.00 O ATOM 0 H GLU A 96 7.104 4.341 -7.213 1.00 0.00 H new ATOM 0 HA GLU A 96 5.121 6.297 -6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.902 3.654 -5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.469 4.596 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.140 3.396 -7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.992 2.724 -6.388 1.00 0.00 H new ATOM 1295 N LEU A 97 7.861 5.817 -4.709 1.00 0.00 N ATOM 1296 CA LEU A 97 8.694 6.365 -3.652 1.00 0.00 C ATOM 1297 C LEU A 97 9.686 7.361 -4.256 1.00 0.00 C ATOM 1298 O LEU A 97 10.536 7.902 -3.549 1.00 0.00 O ATOM 1299 CB LEU A 97 9.360 5.240 -2.857 1.00 0.00 C ATOM 1300 CG LEU A 97 8.427 4.146 -2.334 1.00 0.00 C ATOM 1301 CD1 LEU A 97 9.017 2.756 -2.584 1.00 0.00 C ATOM 1302 CD2 LEU A 97 8.093 4.369 -0.858 1.00 0.00 C ATOM 0 H LEU A 97 8.293 5.065 -5.246 1.00 0.00 H new ATOM 0 HA LEU A 97 8.086 6.915 -2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.116 4.774 -3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.882 5.681 -2.008 1.00 0.00 H new ATOM 0 HG LEU A 97 7.490 4.203 -2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.334 1.997 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.162 2.609 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.976 2.671 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.429 3.577 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.011 4.355 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.601 5.334 -0.738 1.00 0.00 H new ATOM 1314 N ALA A 98 9.545 7.574 -5.556 1.00 0.00 N ATOM 1315 CA ALA A 98 10.418 8.496 -6.262 1.00 0.00 C ATOM 1316 C ALA A 98 9.588 9.658 -6.813 1.00 0.00 C ATOM 1317 O ALA A 98 9.828 10.124 -7.926 1.00 0.00 O ATOM 1318 CB ALA A 98 11.172 7.745 -7.362 1.00 0.00 C ATOM 0 H ALA A 98 8.839 7.124 -6.139 1.00 0.00 H new ATOM 0 HA ALA A 98 11.162 8.915 -5.584 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.827 8.437 -7.892 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.769 6.950 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.458 7.313 -8.063 1.00 0.00 H new ATOM 1324 N GLY A 99 8.629 10.091 -6.008 1.00 0.00 N ATOM 1325 CA GLY A 99 7.762 11.189 -6.401 1.00 0.00 C ATOM 1326 C GLY A 99 6.701 11.459 -5.333 1.00 0.00 C ATOM 1327 O GLY A 99 6.823 12.405 -4.557 1.00 0.00 O ATOM 0 H GLY A 99 8.433 9.702 -5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.358 12.088 -6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.278 10.953 -7.349 1.00 0.00 H new ATOM 1331 N PRO A 100 5.656 10.588 -5.327 1.00 0.00 N ATOM 1332 CA PRO A 100 4.574 10.723 -4.367 1.00 0.00 C ATOM 1333 C PRO A 100 5.014 10.259 -2.977 1.00 0.00 C ATOM 1334 O PRO A 100 5.341 11.078 -2.120 1.00 0.00 O ATOM 1335 CB PRO A 100 3.436 9.893 -4.938 1.00 0.00 C ATOM 1336 CG PRO A 100 4.071 8.955 -5.950 1.00 0.00 C ATOM 1337 CD PRO A 100 5.478 9.456 -6.231 1.00 0.00 C ATOM 0 HA PRO A 100 4.262 11.758 -4.226 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.928 9.334 -4.152 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.688 10.529 -5.411 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.099 7.937 -5.562 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.484 8.930 -6.868 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.220 8.679 -6.044 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.590 9.759 -7.272 1.00 0.00 H new ATOM 1345 N VAL A 101 5.007 8.946 -2.797 1.00 0.00 N ATOM 1346 CA VAL A 101 5.401 8.363 -1.525 1.00 0.00 C ATOM 1347 C VAL A 101 6.832 8.791 -1.195 1.00 0.00 C ATOM 1348 O VAL A 101 7.678 8.879 -2.083 1.00 0.00 O ATOM 1349 CB VAL A 101 5.225 6.844 -1.569 1.00 0.00 C ATOM 1350 CG1 VAL A 101 5.375 6.234 -0.174 1.00 0.00 C ATOM 1351 CG2 VAL A 101 3.881 6.465 -2.193 1.00 0.00 C ATOM 0 H VAL A 101 4.735 8.270 -3.510 1.00 0.00 H new ATOM 0 HA VAL A 101 4.760 8.727 -0.722 1.00 0.00 H new ATOM 0 HB VAL A 101 6.013 6.434 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.245 5.153 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.367 6.459 0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.619 6.654 0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.782 5.380 -2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.072 6.893 -1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.830 6.852 -3.211 1.00 0.00 H new ATOM 1361 N HIS A 102 7.059 9.045 0.086 1.00 0.00 N ATOM 1362 CA HIS A 102 8.373 9.461 0.544 1.00 0.00 C ATOM 1363 C HIS A 102 8.957 8.391 1.469 1.00 0.00 C ATOM 1364 O HIS A 102 10.158 8.127 1.440 1.00 0.00 O ATOM 1365 CB HIS A 102 8.308 10.841 1.202 1.00 0.00 C ATOM 1366 CG HIS A 102 8.005 11.965 0.240 1.00 0.00 C ATOM 1367 ND1 HIS A 102 8.070 13.300 0.602 1.00 0.00 N ATOM 1368 CD2 HIS A 102 7.636 11.940 -1.073 1.00 0.00 C ATOM 1369 CE1 HIS A 102 7.751 14.035 -0.452 1.00 0.00 C ATOM 1370 NE2 HIS A 102 7.482 13.191 -1.489 1.00 0.00 N ATOM 0 H HIS A 102 6.355 8.971 0.820 1.00 0.00 H new ATOM 0 HA HIS A 102 9.044 9.560 -0.309 1.00 0.00 H new ATOM 0 HB2 HIS A 102 7.544 10.826 1.980 1.00 0.00 H new ATOM 0 HB3 HIS A 102 9.260 11.043 1.693 1.00 0.00 H new ATOM 0 HD2 HIS A 102 7.493 11.053 -1.672 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.711 15.114 -0.485 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.208 13.475 -2.430 1.00 0.00 H new ATOM 1378 N ALA A 103 8.079 7.803 2.269 1.00 0.00 N ATOM 1379 CA ALA A 103 8.491 6.768 3.201 1.00 0.00 C ATOM 1380 C ALA A 103 7.260 5.990 3.671 1.00 0.00 C ATOM 1381 O ALA A 103 6.447 6.510 4.433 1.00 0.00 O ATOM 1382 CB ALA A 103 9.258 7.403 4.363 1.00 0.00 C ATOM 0 H ALA A 103 7.084 8.024 2.290 1.00 0.00 H new ATOM 0 HA ALA A 103 9.162 6.060 2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.567 6.626 5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.139 7.918 3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.615 8.118 4.876 1.00 0.00 H new ATOM 1388 N LEU A 104 7.162 4.757 3.196 1.00 0.00 N ATOM 1389 CA LEU A 104 6.044 3.903 3.558 1.00 0.00 C ATOM 1390 C LEU A 104 6.576 2.610 4.180 1.00 0.00 C ATOM 1391 O LEU A 104 7.496 1.993 3.645 1.00 0.00 O ATOM 1392 CB LEU A 104 5.132 3.675 2.351 1.00 0.00 C ATOM 1393 CG LEU A 104 5.252 2.311 1.667 1.00 0.00 C ATOM 1394 CD1 LEU A 104 4.392 1.264 2.378 1.00 0.00 C ATOM 1395 CD2 LEU A 104 4.916 2.414 0.178 1.00 0.00 C ATOM 0 H LEU A 104 7.838 4.329 2.564 1.00 0.00 H new ATOM 0 HA LEU A 104 5.423 4.387 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.099 3.809 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.340 4.449 1.612 1.00 0.00 H new ATOM 0 HG LEU A 104 6.288 1.981 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.495 0.304 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.720 1.166 3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.348 1.575 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.009 1.431 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.895 2.776 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.605 3.108 -0.303 1.00 0.00 H new ATOM 1407 N ALA A 105 5.974 2.238 5.300 1.00 0.00 N ATOM 1408 CA ALA A 105 6.376 1.029 6.000 1.00 0.00 C ATOM 1409 C ALA A 105 5.800 -0.189 5.275 1.00 0.00 C ATOM 1410 O ALA A 105 4.622 -0.507 5.426 1.00 0.00 O ATOM 1411 CB ALA A 105 5.921 1.109 7.458 1.00 0.00 C ATOM 0 H ALA A 105 5.211 2.752 5.740 1.00 0.00 H new ATOM 0 HA ALA A 105 7.461 0.929 6.002 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.222 0.203 7.983 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.380 1.975 7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.836 1.207 7.496 1.00 0.00 H new ATOM 1417 N ILE A 106 6.660 -0.839 4.504 1.00 0.00 N ATOM 1418 CA ILE A 106 6.252 -2.016 3.756 1.00 0.00 C ATOM 1419 C ILE A 106 6.466 -3.263 4.617 1.00 0.00 C ATOM 1420 O ILE A 106 7.585 -3.538 5.049 1.00 0.00 O ATOM 1421 CB ILE A 106 6.971 -2.070 2.407 1.00 0.00 C ATOM 1422 CG1 ILE A 106 6.777 -0.766 1.630 1.00 0.00 C ATOM 1423 CG2 ILE A 106 6.530 -3.291 1.598 1.00 0.00 C ATOM 1424 CD1 ILE A 106 7.422 -0.852 0.245 1.00 0.00 C ATOM 0 H ILE A 106 7.637 -0.573 4.381 1.00 0.00 H new ATOM 0 HA ILE A 106 5.188 -1.968 3.523 1.00 0.00 H new ATOM 0 HB ILE A 106 8.039 -2.178 2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.713 -0.555 1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.214 0.062 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.057 -3.305 0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.763 -4.199 2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.456 -3.240 1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.270 0.087 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.490 -1.039 0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.966 -1.666 -0.319 1.00 0.00 H new ATOM 1436 N GLN A 107 5.377 -3.983 4.841 1.00 0.00 N ATOM 1437 CA GLN A 107 5.432 -5.193 5.643 1.00 0.00 C ATOM 1438 C GLN A 107 5.641 -6.415 4.746 1.00 0.00 C ATOM 1439 O GLN A 107 4.684 -6.948 4.184 1.00 0.00 O ATOM 1440 CB GLN A 107 4.169 -5.346 6.493 1.00 0.00 C ATOM 1441 CG GLN A 107 4.521 -5.701 7.939 1.00 0.00 C ATOM 1442 CD GLN A 107 3.926 -4.683 8.914 1.00 0.00 C ATOM 1443 OE1 GLN A 107 4.293 -3.520 8.937 1.00 0.00 O ATOM 1444 NE2 GLN A 107 2.990 -5.184 9.715 1.00 0.00 N ATOM 0 H GLN A 107 4.451 -3.752 4.481 1.00 0.00 H new ATOM 0 HA GLN A 107 6.280 -5.116 6.323 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.597 -4.418 6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.533 -6.123 6.069 1.00 0.00 H new ATOM 0 HG2 GLN A 107 4.146 -6.697 8.174 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.604 -5.732 8.056 1.00 0.00 H new ATOM 0 HE21 GLN A 107 2.730 -6.168 9.643 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.532 -4.585 10.401 1.00 0.00 H new ATOM 1453 N ALA A 108 6.896 -6.824 4.639 1.00 0.00 N ATOM 1454 CA ALA A 108 7.242 -7.973 3.820 1.00 0.00 C ATOM 1455 C ALA A 108 7.276 -9.227 4.696 1.00 0.00 C ATOM 1456 O ALA A 108 8.180 -9.393 5.514 1.00 0.00 O ATOM 1457 CB ALA A 108 8.577 -7.717 3.117 1.00 0.00 C ATOM 0 H ALA A 108 7.687 -6.380 5.106 1.00 0.00 H new ATOM 0 HA ALA A 108 6.491 -8.131 3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 108 8.836 -8.579 2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.492 -6.833 2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 108 9.356 -7.556 3.862 1.00 0.00 H new ATOM 1463 N LYS A 109 6.280 -10.078 4.496 1.00 0.00 N ATOM 1464 CA LYS A 109 6.185 -11.311 5.258 1.00 0.00 C ATOM 1465 C LYS A 109 5.877 -12.470 4.307 1.00 0.00 C ATOM 1466 O LYS A 109 5.338 -12.260 3.222 1.00 0.00 O ATOM 1467 CB LYS A 109 5.172 -11.162 6.394 1.00 0.00 C ATOM 1468 CG LYS A 109 5.390 -9.853 7.155 1.00 0.00 C ATOM 1469 CD LYS A 109 5.239 -10.062 8.663 1.00 0.00 C ATOM 1470 CE LYS A 109 5.034 -8.729 9.384 1.00 0.00 C ATOM 1471 NZ LYS A 109 5.425 -8.844 10.807 1.00 0.00 N ATOM 0 H LYS A 109 5.532 -9.938 3.817 1.00 0.00 H new ATOM 0 HA LYS A 109 7.137 -11.536 5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.160 -11.187 5.989 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.262 -12.005 7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.384 -9.463 6.936 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.672 -9.107 6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.392 -10.720 8.859 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.126 -10.559 9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 109 5.626 -7.952 8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.989 -8.426 9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.280 -7.930 11.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.843 -9.571 11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.428 -9.112 10.871 1.00 0.00 H new ATOM 1485 N THR A 110 6.232 -13.667 4.750 1.00 0.00 N ATOM 1486 CA THR A 110 6.000 -14.859 3.952 1.00 0.00 C ATOM 1487 C THR A 110 4.645 -15.478 4.299 1.00 0.00 C ATOM 1488 O THR A 110 4.047 -15.139 5.319 1.00 0.00 O ATOM 1489 CB THR A 110 7.177 -15.812 4.172 1.00 0.00 C ATOM 1490 OG1 THR A 110 7.553 -15.592 5.529 1.00 0.00 O ATOM 1491 CG2 THR A 110 8.417 -15.406 3.372 1.00 0.00 C ATOM 0 H THR A 110 6.679 -13.837 5.651 1.00 0.00 H new ATOM 0 HA THR A 110 5.950 -14.620 2.890 1.00 0.00 H new ATOM 0 HB THR A 110 6.881 -16.824 3.895 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.401 -16.048 5.711 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.222 -16.115 3.564 1.00 0.00 H new ATOM 0 HG22 THR A 110 8.180 -15.406 2.308 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.733 -14.407 3.673 1.00 0.00 H new ATOM 1499 N PRO A 111 4.187 -16.397 3.407 1.00 0.00 N ATOM 1500 CA PRO A 111 2.913 -17.066 3.609 1.00 0.00 C ATOM 1501 C PRO A 111 3.020 -18.130 4.704 1.00 0.00 C ATOM 1502 O PRO A 111 2.045 -18.818 5.003 1.00 0.00 O ATOM 1503 CB PRO A 111 2.554 -17.646 2.251 1.00 0.00 C ATOM 1504 CG PRO A 111 3.850 -17.682 1.457 1.00 0.00 C ATOM 1505 CD PRO A 111 4.868 -16.823 2.188 1.00 0.00 C ATOM 0 HA PRO A 111 2.133 -16.389 3.957 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.130 -18.645 2.353 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.806 -17.032 1.750 1.00 0.00 H new ATOM 0 HG2 PRO A 111 4.212 -18.706 1.363 1.00 0.00 H new ATOM 0 HG3 PRO A 111 3.689 -17.307 0.446 1.00 0.00 H new ATOM 0 HD2 PRO A 111 5.772 -17.388 2.416 1.00 0.00 H new ATOM 0 HD3 PRO A 111 5.171 -15.968 1.584 1.00 0.00 H new ATOM 1513 N ALA A 112 4.212 -18.231 5.273 1.00 0.00 N ATOM 1514 CA ALA A 112 4.459 -19.198 6.328 1.00 0.00 C ATOM 1515 C ALA A 112 4.521 -18.474 7.674 1.00 0.00 C ATOM 1516 O ALA A 112 4.275 -19.075 8.719 1.00 0.00 O ATOM 1517 CB ALA A 112 5.743 -19.972 6.022 1.00 0.00 C ATOM 0 H ALA A 112 5.018 -17.658 5.023 1.00 0.00 H new ATOM 0 HA ALA A 112 3.647 -19.923 6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.928 -20.698 6.814 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.636 -20.493 5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.581 -19.278 5.963 1.00 0.00 H new ATOM 1523 N GLN A 113 4.852 -17.193 7.606 1.00 0.00 N ATOM 1524 CA GLN A 113 4.949 -16.380 8.806 1.00 0.00 C ATOM 1525 C GLN A 113 3.617 -15.680 9.084 1.00 0.00 C ATOM 1526 O GLN A 113 3.168 -15.623 10.227 1.00 0.00 O ATOM 1527 CB GLN A 113 6.088 -15.365 8.690 1.00 0.00 C ATOM 1528 CG GLN A 113 7.450 -16.061 8.739 1.00 0.00 C ATOM 1529 CD GLN A 113 8.230 -15.651 9.990 1.00 0.00 C ATOM 1530 OE1 GLN A 113 8.027 -14.591 10.560 1.00 0.00 O ATOM 1531 NE2 GLN A 113 9.131 -16.546 10.384 1.00 0.00 N ATOM 0 H GLN A 113 5.056 -16.698 6.738 1.00 0.00 H new ATOM 0 HA GLN A 113 5.174 -17.036 9.647 1.00 0.00 H new ATOM 0 HB2 GLN A 113 5.992 -14.811 7.756 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.017 -14.639 9.500 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.311 -17.142 8.731 1.00 0.00 H new ATOM 0 HG3 GLN A 113 8.025 -15.807 7.848 1.00 0.00 H new ATOM 0 HE21 GLN A 113 9.250 -17.414 9.861 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.703 -16.365 11.209 1.00 0.00 H new ATOM 1540 N TRP A 114 3.023 -15.165 8.017 1.00 0.00 N ATOM 1541 CA TRP A 114 1.751 -14.472 8.132 1.00 0.00 C ATOM 1542 C TRP A 114 0.780 -15.386 8.881 1.00 0.00 C ATOM 1543 O TRP A 114 -0.139 -14.910 9.546 1.00 0.00 O ATOM 1544 CB TRP A 114 1.233 -14.047 6.756 1.00 0.00 C ATOM 1545 CG TRP A 114 -0.195 -13.496 6.772 1.00 0.00 C ATOM 1546 CD1 TRP A 114 -1.341 -14.169 6.599 1.00 0.00 C ATOM 1547 CD2 TRP A 114 -0.583 -12.122 6.980 1.00 0.00 C ATOM 1548 NE1 TRP A 114 -2.435 -13.332 6.680 1.00 0.00 N ATOM 1549 CE2 TRP A 114 -1.960 -12.048 6.919 1.00 0.00 C ATOM 1550 CE3 TRP A 114 0.202 -10.979 7.213 1.00 0.00 C ATOM 1551 CZ2 TRP A 114 -2.671 -10.853 7.081 1.00 0.00 C ATOM 1552 CZ3 TRP A 114 -0.524 -9.793 7.372 1.00 0.00 C ATOM 1553 CH2 TRP A 114 -1.909 -9.702 7.313 1.00 0.00 C ATOM 0 H TRP A 114 3.399 -15.214 7.070 1.00 0.00 H new ATOM 0 HA TRP A 114 1.865 -13.548 8.699 1.00 0.00 H new ATOM 0 HB2 TRP A 114 1.900 -13.288 6.346 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.274 -14.904 6.083 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -1.401 -15.232 6.419 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.413 -13.605 6.582 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.280 -11.013 7.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -3.749 -10.821 7.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.032 -8.885 7.553 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -2.396 -8.747 7.446 1.00 0.00 H new ATOM 1564 N ARG A 115 1.015 -16.683 8.747 1.00 0.00 N ATOM 1565 CA ARG A 115 0.172 -17.668 9.403 1.00 0.00 C ATOM 1566 C ARG A 115 0.313 -17.560 10.923 1.00 0.00 C ATOM 1567 O ARG A 115 -0.683 -17.562 11.644 1.00 0.00 O ATOM 1568 CB ARG A 115 0.540 -19.087 8.964 1.00 0.00 C ATOM 1569 CG ARG A 115 0.103 -19.344 7.520 1.00 0.00 C ATOM 1570 CD ARG A 115 0.170 -20.836 7.185 1.00 0.00 C ATOM 1571 NE ARG A 115 -0.997 -21.538 7.764 1.00 0.00 N ATOM 1572 CZ ARG A 115 -1.223 -22.852 7.635 1.00 0.00 C ATOM 1573 NH1 ARG A 115 -0.364 -23.615 6.945 1.00 0.00 N ATOM 1574 NH2 ARG A 115 -2.309 -23.403 8.194 1.00 0.00 N ATOM 0 H ARG A 115 1.777 -17.075 8.194 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.860 -17.466 9.115 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.617 -19.232 9.053 1.00 0.00 H new ATOM 0 HB3 ARG A 115 0.065 -19.811 9.626 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.914 -18.980 7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.743 -18.785 6.837 1.00 0.00 H new ATOM 0 HD2 ARG A 115 0.188 -20.974 6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 115 1.093 -21.264 7.576 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.672 -20.987 8.295 1.00 0.00 H new ATOM 0 HH11 ARG A 115 0.462 -23.195 6.518 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -0.536 -24.616 6.847 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.964 -22.822 8.718 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -2.481 -24.404 8.096 1.00 0.00 H new ATOM 1588 N GLU A 116 1.559 -17.467 11.365 1.00 0.00 N ATOM 1589 CA GLU A 116 1.843 -17.358 12.786 1.00 0.00 C ATOM 1590 C GLU A 116 1.151 -16.126 13.372 1.00 0.00 C ATOM 1591 O GLU A 116 0.425 -16.228 14.360 1.00 0.00 O ATOM 1592 CB GLU A 116 3.351 -17.315 13.042 1.00 0.00 C ATOM 1593 CG GLU A 116 3.889 -18.705 13.387 1.00 0.00 C ATOM 1594 CD GLU A 116 4.992 -18.619 14.443 1.00 0.00 C ATOM 1595 OE1 GLU A 116 6.108 -18.200 14.066 1.00 0.00 O ATOM 1596 OE2 GLU A 116 4.695 -18.975 15.604 1.00 0.00 O ATOM 0 H GLU A 116 2.383 -17.465 10.764 1.00 0.00 H new ATOM 0 HA GLU A 116 1.449 -18.243 13.285 1.00 0.00 H new ATOM 0 HB2 GLU A 116 3.862 -16.932 12.159 1.00 0.00 H new ATOM 0 HB3 GLU A 116 3.565 -16.625 13.858 1.00 0.00 H new ATOM 0 HG2 GLU A 116 3.077 -19.332 13.754 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.278 -19.182 12.487 1.00 0.00 H new ATOM 1603 N ASN A 117 1.401 -14.989 12.739 1.00 0.00 N ATOM 1604 CA ASN A 117 0.812 -13.738 13.185 1.00 0.00 C ATOM 1605 C ASN A 117 0.379 -12.920 11.967 1.00 0.00 C ATOM 1606 O ASN A 117 1.090 -12.011 11.541 1.00 0.00 O ATOM 1607 CB ASN A 117 1.821 -12.906 13.979 1.00 0.00 C ATOM 1608 CG ASN A 117 1.131 -11.739 14.689 1.00 0.00 C ATOM 1609 OD1 ASN A 117 -0.033 -11.798 15.049 1.00 0.00 O ATOM 1610 ND2 ASN A 117 1.913 -10.678 14.868 1.00 0.00 N ATOM 0 H ASN A 117 2.004 -14.908 11.920 1.00 0.00 H new ATOM 0 HA ASN A 117 -0.040 -13.975 13.822 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.322 -13.538 14.713 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.591 -12.524 13.308 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.546 -9.847 15.332 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.879 -10.696 14.542 1.00 0.00 H new ATOM 1617 N PRO A 118 -0.816 -13.281 11.427 1.00 0.00 N ATOM 1618 CA PRO A 118 -1.352 -12.590 10.266 1.00 0.00 C ATOM 1619 C PRO A 118 -1.902 -11.215 10.652 1.00 0.00 C ATOM 1620 O PRO A 118 -2.364 -10.464 9.794 1.00 0.00 O ATOM 1621 CB PRO A 118 -2.417 -13.521 9.711 1.00 0.00 C ATOM 1622 CG PRO A 118 -2.762 -14.480 10.840 1.00 0.00 C ATOM 1623 CD PRO A 118 -1.685 -14.352 11.905 1.00 0.00 C ATOM 0 HA PRO A 118 -0.592 -12.382 9.513 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.296 -12.962 9.391 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.048 -14.061 8.839 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.741 -14.243 11.257 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.813 -15.504 10.469 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.116 -14.109 12.876 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.134 -15.285 12.025 1.00 0.00 H new ATOM 1631 N GLN A 119 -1.834 -10.927 11.943 1.00 0.00 N ATOM 1632 CA GLN A 119 -2.320 -9.656 12.453 1.00 0.00 C ATOM 1633 C GLN A 119 -1.264 -8.567 12.256 1.00 0.00 C ATOM 1634 O GLN A 119 -0.165 -8.656 12.802 1.00 0.00 O ATOM 1635 CB GLN A 119 -2.719 -9.772 13.926 1.00 0.00 C ATOM 1636 CG GLN A 119 -3.792 -10.846 14.120 1.00 0.00 C ATOM 1637 CD GLN A 119 -4.200 -10.954 15.590 1.00 0.00 C ATOM 1638 OE1 GLN A 119 -4.245 -9.978 16.322 1.00 0.00 O ATOM 1639 NE2 GLN A 119 -4.493 -12.191 15.981 1.00 0.00 N ATOM 0 H GLN A 119 -1.450 -11.552 12.652 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.211 -9.378 11.890 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.842 -10.016 14.526 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -3.092 -8.812 14.282 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -4.665 -10.606 13.513 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -3.416 -11.808 13.772 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.435 -12.963 15.317 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -4.776 -12.368 16.945 1.00 0.00 H new ATOM 1648 N LEU A 120 -1.633 -7.564 11.473 1.00 0.00 N ATOM 1649 CA LEU A 120 -0.731 -6.459 11.197 1.00 0.00 C ATOM 1650 C LEU A 120 -0.806 -5.446 12.342 1.00 0.00 C ATOM 1651 O LEU A 120 -1.586 -5.619 13.278 1.00 0.00 O ATOM 1652 CB LEU A 120 -1.028 -5.855 9.823 1.00 0.00 C ATOM 1653 CG LEU A 120 -0.705 -6.741 8.618 1.00 0.00 C ATOM 1654 CD1 LEU A 120 -1.527 -6.326 7.396 1.00 0.00 C ATOM 1655 CD2 LEU A 120 0.797 -6.741 8.325 1.00 0.00 C ATOM 0 H LEU A 120 -2.545 -7.493 11.021 1.00 0.00 H new ATOM 0 HA LEU A 120 0.299 -6.812 11.149 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.085 -5.593 9.784 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.466 -4.926 9.727 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.986 -7.765 8.862 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.278 -6.972 6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.589 -6.419 7.623 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.300 -5.291 7.139 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.000 -7.378 7.464 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.126 -5.724 8.109 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.337 -7.120 9.193 1.00 0.00 H new ATOM 1667 N ASP A 121 0.015 -4.413 12.230 1.00 0.00 N ATOM 1668 CA ASP A 121 0.052 -3.373 13.245 1.00 0.00 C ATOM 1669 C ASP A 121 0.133 -2.005 12.564 1.00 0.00 C ATOM 1670 O ASP A 121 1.224 -1.510 12.285 1.00 0.00 O ATOM 1671 CB ASP A 121 1.278 -3.526 14.146 1.00 0.00 C ATOM 1672 CG ASP A 121 1.195 -4.665 15.163 1.00 0.00 C ATOM 1673 OD1 ASP A 121 1.449 -5.817 14.748 1.00 0.00 O ATOM 1674 OD2 ASP A 121 0.880 -4.360 16.334 1.00 0.00 O ATOM 0 H ASP A 121 0.660 -4.273 11.452 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.852 -3.459 13.849 1.00 0.00 H new ATOM 0 HB2 ASP A 121 2.155 -3.683 13.518 1.00 0.00 H new ATOM 0 HB3 ASP A 121 1.435 -2.590 14.683 1.00 0.00 H new ATOM 1679 N ILE A 122 -1.037 -1.433 12.315 1.00 0.00 N ATOM 1680 CA ILE A 122 -1.112 -0.132 11.672 1.00 0.00 C ATOM 1681 C ILE A 122 -1.201 0.957 12.744 1.00 0.00 C ATOM 1682 O ILE A 122 -0.404 1.893 12.749 1.00 0.00 O ATOM 1683 CB ILE A 122 -2.262 -0.099 10.664 1.00 0.00 C ATOM 1684 CG1 ILE A 122 -2.091 -1.186 9.601 1.00 0.00 C ATOM 1685 CG2 ILE A 122 -2.406 1.292 10.043 1.00 0.00 C ATOM 1686 CD1 ILE A 122 -3.222 -1.130 8.572 1.00 0.00 C ATOM 0 H ILE A 122 -1.940 -1.847 12.547 1.00 0.00 H new ATOM 0 HA ILE A 122 -0.208 0.062 11.095 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.189 -0.312 11.196 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -1.132 -1.061 9.099 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -2.076 -2.166 10.077 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -3.230 1.289 9.330 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -2.608 2.022 10.827 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -1.483 1.558 9.529 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -3.076 -1.913 7.828 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -4.178 -1.280 9.074 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -3.219 -0.157 8.080 1.00 0.00 H new ATOM 1698 N SER A 123 -2.178 0.797 13.624 1.00 0.00 N ATOM 1699 CA SER A 123 -2.382 1.755 14.697 1.00 0.00 C ATOM 1700 C SER A 123 -3.074 1.076 15.881 1.00 0.00 C ATOM 1701 O SER A 123 -4.003 0.291 15.694 1.00 0.00 O ATOM 1702 CB SER A 123 -3.204 2.953 14.218 1.00 0.00 C ATOM 1703 OG SER A 123 -2.391 4.100 13.985 1.00 0.00 O ATOM 0 H SER A 123 -2.837 0.018 13.616 1.00 0.00 H new ATOM 0 HA SER A 123 -1.407 2.123 15.016 1.00 0.00 H new ATOM 0 HB2 SER A 123 -3.729 2.689 13.300 1.00 0.00 H new ATOM 0 HB3 SER A 123 -3.964 3.192 14.962 1.00 0.00 H new ATOM 0 HG SER A 123 -1.907 3.991 13.140 1.00 0.00 H new ATOM 1709 N PRO A 124 -2.582 1.411 17.104 1.00 0.00 N ATOM 1710 CA PRO A 124 -3.143 0.842 18.317 1.00 0.00 C ATOM 1711 C PRO A 124 -4.495 1.479 18.648 1.00 0.00 C ATOM 1712 O PRO A 124 -4.601 2.700 18.751 1.00 0.00 O ATOM 1713 CB PRO A 124 -2.093 1.087 19.389 1.00 0.00 C ATOM 1714 CG PRO A 124 -1.194 2.186 18.847 1.00 0.00 C ATOM 1715 CD PRO A 124 -1.483 2.336 17.363 1.00 0.00 C ATOM 0 HA PRO A 124 -3.356 -0.223 18.222 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -2.557 1.389 20.328 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -1.523 0.180 19.592 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -1.381 3.124 19.369 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -0.145 1.935 19.008 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -1.761 3.360 17.115 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -0.608 2.089 16.762 1.00 0.00 H new ATOM 1723 N PRO A 125 -5.520 0.601 18.809 1.00 0.00 N ATOM 1724 CA PRO A 125 -6.860 1.065 19.125 1.00 0.00 C ATOM 1725 C PRO A 125 -6.958 1.501 20.589 1.00 0.00 C ATOM 1726 O PRO A 125 -5.971 1.455 21.321 1.00 0.00 O ATOM 1727 CB PRO A 125 -7.771 -0.106 18.793 1.00 0.00 C ATOM 1728 CG PRO A 125 -6.873 -1.332 18.744 1.00 0.00 C ATOM 1729 CD PRO A 125 -5.432 -0.852 18.694 1.00 0.00 C ATOM 0 HA PRO A 125 -7.144 1.949 18.554 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -8.549 -0.222 19.548 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -8.273 0.049 17.838 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -7.036 -1.960 19.620 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -7.104 -1.939 17.869 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -4.844 -1.279 19.507 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -4.949 -1.147 17.763 1.00 0.00 H new ATOM 1737 N CYS A 126 -8.158 1.914 20.971 1.00 0.00 N ATOM 1738 CA CYS A 126 -8.397 2.358 22.334 1.00 0.00 C ATOM 1739 C CYS A 126 -8.889 1.161 23.150 1.00 0.00 C ATOM 1740 O CYS A 126 -9.570 0.283 22.622 1.00 0.00 O ATOM 1741 CB CYS A 126 -9.384 3.526 22.383 1.00 0.00 C ATOM 1742 SG CYS A 126 -8.507 5.101 22.068 1.00 0.00 S ATOM 0 H CYS A 126 -8.975 1.950 20.361 1.00 0.00 H new ATOM 0 HA CYS A 126 -7.469 2.733 22.765 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -10.168 3.382 21.639 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -9.871 3.560 23.357 1.00 0.00 H new ATOM 0 HG CYS A 126 -9.355 6.086 22.110 1.00 0.00 H new ATOM 1748 N LEU A 127 -8.524 1.163 24.423 1.00 0.00 N ATOM 1749 CA LEU A 127 -8.919 0.088 25.317 1.00 0.00 C ATOM 1750 C LEU A 127 -10.438 0.115 25.500 1.00 0.00 C ATOM 1751 O LEU A 127 -11.003 1.139 25.883 1.00 0.00 O ATOM 1752 CB LEU A 127 -8.140 0.170 26.631 1.00 0.00 C ATOM 1753 CG LEU A 127 -8.091 -1.113 27.463 1.00 0.00 C ATOM 1754 CD1 LEU A 127 -6.659 -1.641 27.572 1.00 0.00 C ATOM 1755 CD2 LEU A 127 -8.729 -0.901 28.837 1.00 0.00 C ATOM 0 H LEU A 127 -7.959 1.892 24.857 1.00 0.00 H new ATOM 0 HA LEU A 127 -8.667 -0.880 24.884 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -7.117 0.473 26.406 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -8.579 0.959 27.242 1.00 0.00 H new ATOM 0 HG LEU A 127 -8.678 -1.875 26.950 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -6.652 -2.553 28.168 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -6.274 -1.856 26.575 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -6.030 -0.890 28.050 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -8.681 -1.828 29.408 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -8.191 -0.118 29.371 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -9.771 -0.605 28.713 1.00 0.00 H new ATOM 1767 N GLY A 128 -11.056 -1.022 25.217 1.00 0.00 N ATOM 1768 CA GLY A 128 -12.499 -1.142 25.345 1.00 0.00 C ATOM 1769 C GLY A 128 -13.030 -2.304 24.503 1.00 0.00 C ATOM 1770 O GLY A 128 -13.868 -3.076 24.964 1.00 0.00 O ATOM 0 H GLY A 128 -10.584 -1.869 24.899 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -12.763 -1.296 26.391 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -12.974 -0.213 25.030 1.00 0.00 H new TER 1774 GLY A 128