USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 578 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 101 GLN : amide:sc= 0.564 K(o=0.86,f=-0.63) USER MOD Set 1.2: A 150 ASN : amide:sc= 0.297 K(o=0.86,f=-0.27) USER MOD Set 2.1: A 62 TYR OH : rot 128:sc= 0.993 USER MOD Set 2.2: A 71 SER OG : rot 51:sc= 1.33 USER MOD Set 3.1: A 60 TYR OH : rot 60:sc= 0.243 USER MOD Set 3.2: A 125 SER OG : rot 115:sc= 0.68 USER MOD Set 4.1: A 57 CYS SG : rot -173:sc= 0.0305 USER MOD Set 4.2: A 109 HIS : no HD1:sc= 0.658 K(o=0.69,f=-2.3!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0378 K(o=-0.038,f=-0.72) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 145:sc= 1.35 (180deg=0.87) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 72 THR OG1 : rot -36:sc= 1 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.923 K(o=-0.92,f=-7.6!) USER MOD Single : A 78 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.14) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -76:sc= 0.00174 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -15:sc= -0.568 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.21) USER MOD Single : A 92 ASN : amide:sc= 0.0845 X(o=0.085,f=-0.026) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -97:sc= 0.791 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.701 USER MOD Single : A 115 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.12) USER MOD Single : A 117 ASN : amide:sc= -1.39! K(o=-1.4!,f=-0.18) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 127 MET CE :methyl -162:sc= -0.317 (180deg=-1.19) USER MOD Single : A 140 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 147 SER OG : rot 81:sc= 0.806 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 149 TYR OH : rot 71:sc= 0.871 USER MOD Single : A 151 TYR OH : rot -47:sc= -0.293 USER MOD Single : A 153 HIS : no HD1:sc= -0.768 K(o=-0.77,f=0.15) USER MOD ----------------------------------------------------------------- ATOM 723 N THR A 53 -8.429 -4.450 -13.603 1.00 5.22 N ATOM 724 CA THR A 53 -9.708 -5.189 -13.574 1.00 51.14 C ATOM 725 C THR A 53 -10.397 -5.091 -12.208 1.00 10.43 C ATOM 726 O THR A 53 -9.738 -4.987 -11.175 1.00 0.52 O ATOM 727 CB THR A 53 -9.532 -6.691 -13.928 1.00 14.23 C ATOM 728 OG1 THR A 53 -10.812 -7.349 -13.952 1.00 33.44 O ATOM 729 CG2 THR A 53 -8.614 -7.398 -12.932 1.00 11.42 C ATOM 0 HA THR A 53 -10.332 -4.715 -14.332 1.00 51.14 H new ATOM 0 HB THR A 53 -9.073 -6.745 -14.915 1.00 14.23 H new ATOM 0 HG1 THR A 53 -10.689 -8.295 -14.178 1.00 33.44 H new ATOM 0 HG21 THR A 53 -8.514 -8.447 -13.211 1.00 11.42 H new ATOM 0 HG22 THR A 53 -7.632 -6.924 -12.942 1.00 11.42 H new ATOM 0 HG23 THR A 53 -9.040 -7.328 -11.931 1.00 11.42 H new ATOM 737 N ALA A 54 -11.728 -5.143 -12.209 1.00 22.51 N ATOM 738 CA ALA A 54 -12.514 -5.021 -10.974 1.00 41.24 C ATOM 739 C ALA A 54 -12.572 -6.350 -10.197 1.00 74.35 C ATOM 740 O ALA A 54 -13.000 -7.374 -10.729 1.00 1.34 O ATOM 741 CB ALA A 54 -13.922 -4.536 -11.299 1.00 41.53 C ATOM 0 H ALA A 54 -12.289 -5.269 -13.051 1.00 22.51 H new ATOM 0 HA ALA A 54 -12.018 -4.291 -10.335 1.00 41.24 H new ATOM 0 HB1 ALA A 54 -14.498 -4.448 -10.378 1.00 41.53 H new ATOM 0 HB2 ALA A 54 -13.868 -3.563 -11.787 1.00 41.53 H new ATOM 0 HB3 ALA A 54 -14.408 -5.249 -11.964 1.00 41.53 H new ATOM 747 N GLY A 55 -12.157 -6.319 -8.929 1.00 70.11 N ATOM 748 CA GLY A 55 -12.137 -7.528 -8.102 1.00 40.53 C ATOM 749 C GLY A 55 -10.729 -7.942 -7.680 1.00 2.12 C ATOM 750 O GLY A 55 -10.488 -9.098 -7.329 1.00 14.41 O ATOM 0 H GLY A 55 -11.832 -5.476 -8.455 1.00 70.11 H new ATOM 0 HA2 GLY A 55 -12.743 -7.362 -7.211 1.00 40.53 H new ATOM 0 HA3 GLY A 55 -12.600 -8.346 -8.654 1.00 40.53 H new ATOM 754 N GLN A 56 -9.797 -6.993 -7.708 1.00 60.32 N ATOM 755 CA GLN A 56 -8.404 -7.246 -7.316 1.00 13.12 C ATOM 756 C GLN A 56 -7.912 -6.199 -6.306 1.00 61.11 C ATOM 757 O GLN A 56 -8.390 -5.062 -6.295 1.00 24.31 O ATOM 758 CB GLN A 56 -7.498 -7.230 -8.561 1.00 70.10 C ATOM 759 CG GLN A 56 -7.738 -8.391 -9.521 1.00 54.04 C ATOM 760 CD GLN A 56 -7.327 -9.733 -8.936 1.00 54.11 C ATOM 761 OE1 GLN A 56 -6.410 -9.819 -8.127 1.00 32.11 O ATOM 762 NE2 GLN A 56 -8.005 -10.789 -9.330 1.00 54.21 N ATOM 0 H GLN A 56 -9.979 -6.033 -8.000 1.00 60.32 H new ATOM 0 HA GLN A 56 -8.359 -8.227 -6.842 1.00 13.12 H new ATOM 0 HB2 GLN A 56 -7.651 -6.293 -9.096 1.00 70.10 H new ATOM 0 HB3 GLN A 56 -6.457 -7.248 -8.240 1.00 70.10 H new ATOM 0 HG2 GLN A 56 -8.794 -8.424 -9.787 1.00 54.04 H new ATOM 0 HG3 GLN A 56 -7.182 -8.216 -10.442 1.00 54.04 H new ATOM 0 HE21 GLN A 56 -8.763 -10.686 -10.005 1.00 54.21 H new ATOM 0 HE22 GLN A 56 -7.773 -11.711 -8.961 1.00 54.21 H new ATOM 771 N CYS A 57 -6.952 -6.577 -5.460 1.00 3.12 N ATOM 772 CA CYS A 57 -6.347 -5.627 -4.516 1.00 45.02 C ATOM 773 C CYS A 57 -5.621 -4.504 -5.270 1.00 33.24 C ATOM 774 O CYS A 57 -5.636 -3.347 -4.850 1.00 33.13 O ATOM 775 CB CYS A 57 -5.380 -6.338 -3.557 1.00 13.22 C ATOM 776 SG CYS A 57 -4.050 -7.258 -4.371 1.00 70.03 S ATOM 0 H CYS A 57 -6.577 -7.524 -5.406 1.00 3.12 H new ATOM 0 HA CYS A 57 -7.150 -5.188 -3.924 1.00 45.02 H new ATOM 0 HB2 CYS A 57 -4.937 -5.596 -2.893 1.00 13.22 H new ATOM 0 HB3 CYS A 57 -5.949 -7.026 -2.932 1.00 13.22 H new ATOM 0 HG CYS A 57 -3.388 -7.940 -3.484 1.00 70.03 H new ATOM 782 N THR A 58 -5.007 -4.854 -6.404 1.00 2.55 N ATOM 783 CA THR A 58 -4.371 -3.865 -7.291 1.00 50.44 C ATOM 784 C THR A 58 -5.396 -2.854 -7.830 1.00 70.21 C ATOM 785 O THR A 58 -5.053 -1.721 -8.169 1.00 42.33 O ATOM 786 CB THR A 58 -3.672 -4.554 -8.489 1.00 14.43 C ATOM 787 OG1 THR A 58 -4.629 -5.324 -9.236 1.00 44.24 O ATOM 788 CG2 THR A 58 -2.542 -5.464 -8.014 1.00 51.43 C ATOM 0 H THR A 58 -4.935 -5.817 -6.733 1.00 2.55 H new ATOM 0 HA THR A 58 -3.628 -3.338 -6.692 1.00 50.44 H new ATOM 0 HB THR A 58 -3.247 -3.779 -9.127 1.00 14.43 H new ATOM 0 HG1 THR A 58 -4.182 -5.756 -9.993 1.00 44.24 H new ATOM 0 HG21 THR A 58 -2.068 -5.935 -8.875 1.00 51.43 H new ATOM 0 HG22 THR A 58 -1.804 -4.874 -7.471 1.00 51.43 H new ATOM 0 HG23 THR A 58 -2.946 -6.233 -7.356 1.00 51.43 H new ATOM 796 N TRP A 59 -6.656 -3.284 -7.911 1.00 20.51 N ATOM 797 CA TRP A 59 -7.763 -2.415 -8.327 1.00 32.21 C ATOM 798 C TRP A 59 -8.212 -1.510 -7.171 1.00 40.40 C ATOM 799 O TRP A 59 -8.231 -0.284 -7.291 1.00 42.11 O ATOM 800 CB TRP A 59 -8.943 -3.275 -8.803 1.00 11.32 C ATOM 801 CG TRP A 59 -10.148 -2.484 -9.228 1.00 51.02 C ATOM 802 CD1 TRP A 59 -10.348 -1.887 -10.438 1.00 55.03 C ATOM 803 CD2 TRP A 59 -11.322 -2.217 -8.450 1.00 35.45 C ATOM 804 NE1 TRP A 59 -11.568 -1.260 -10.458 1.00 10.32 N ATOM 805 CE2 TRP A 59 -12.186 -1.448 -9.250 1.00 12.42 C ATOM 806 CE3 TRP A 59 -11.726 -2.551 -7.153 1.00 21.43 C ATOM 807 CZ2 TRP A 59 -13.428 -1.007 -8.799 1.00 41.14 C ATOM 808 CZ3 TRP A 59 -12.959 -2.115 -6.705 1.00 0.53 C ATOM 809 CH2 TRP A 59 -13.797 -1.350 -7.526 1.00 65.43 C ATOM 0 H TRP A 59 -6.939 -4.239 -7.692 1.00 20.51 H new ATOM 0 HA TRP A 59 -7.418 -1.782 -9.145 1.00 32.21 H new ATOM 0 HB2 TRP A 59 -8.614 -3.893 -9.639 1.00 11.32 H new ATOM 0 HB3 TRP A 59 -9.232 -3.953 -8.000 1.00 11.32 H new ATOM 0 HD1 TRP A 59 -9.648 -1.905 -11.260 1.00 55.03 H new ATOM 0 HE1 TRP A 59 -11.953 -0.738 -11.245 1.00 10.32 H new ATOM 0 HE3 TRP A 59 -11.086 -3.139 -6.513 1.00 21.43 H new ATOM 0 HZ2 TRP A 59 -14.076 -0.417 -9.430 1.00 41.14 H new ATOM 0 HZ3 TRP A 59 -13.281 -2.368 -5.706 1.00 0.53 H new ATOM 0 HH2 TRP A 59 -14.754 -1.024 -7.147 1.00 65.43 H new ATOM 820 N TYR A 60 -8.562 -2.134 -6.045 1.00 73.54 N ATOM 821 CA TYR A 60 -9.050 -1.407 -4.869 1.00 63.32 C ATOM 822 C TYR A 60 -8.059 -0.329 -4.389 1.00 54.10 C ATOM 823 O TYR A 60 -8.431 0.835 -4.208 1.00 52.24 O ATOM 824 CB TYR A 60 -9.355 -2.383 -3.725 1.00 54.41 C ATOM 825 CG TYR A 60 -9.563 -1.681 -2.401 1.00 42.21 C ATOM 826 CD1 TYR A 60 -10.619 -0.796 -2.228 1.00 24.52 C ATOM 827 CD2 TYR A 60 -8.679 -1.863 -1.346 1.00 43.04 C ATOM 828 CE1 TYR A 60 -10.793 -0.122 -1.041 1.00 45.31 C ATOM 829 CE2 TYR A 60 -8.844 -1.187 -0.157 1.00 11.14 C ATOM 830 CZ TYR A 60 -9.901 -0.320 -0.011 1.00 1.24 C ATOM 831 OH TYR A 60 -10.057 0.371 1.166 1.00 61.03 O ATOM 0 H TYR A 60 -8.517 -3.145 -5.921 1.00 73.54 H new ATOM 0 HA TYR A 60 -9.966 -0.898 -5.169 1.00 63.32 H new ATOM 0 HB2 TYR A 60 -10.248 -2.958 -3.971 1.00 54.41 H new ATOM 0 HB3 TYR A 60 -8.534 -3.094 -3.630 1.00 54.41 H new ATOM 0 HD1 TYR A 60 -11.315 -0.634 -3.038 1.00 24.52 H new ATOM 0 HD2 TYR A 60 -7.849 -2.545 -1.459 1.00 43.04 H new ATOM 0 HE1 TYR A 60 -11.623 0.558 -0.918 1.00 45.31 H new ATOM 0 HE2 TYR A 60 -8.148 -1.337 0.655 1.00 11.14 H new ATOM 0 HH TYR A 60 -10.929 0.156 1.559 1.00 61.03 H new ATOM 841 N VAL A 61 -6.805 -0.716 -4.167 1.00 74.14 N ATOM 842 CA VAL A 61 -5.784 0.228 -3.696 1.00 63.40 C ATOM 843 C VAL A 61 -5.608 1.398 -4.680 1.00 43.41 C ATOM 844 O VAL A 61 -5.323 2.528 -4.279 1.00 50.25 O ATOM 845 CB VAL A 61 -4.422 -0.476 -3.473 1.00 52.32 C ATOM 846 CG1 VAL A 61 -3.368 0.514 -2.983 1.00 60.44 C ATOM 847 CG2 VAL A 61 -4.573 -1.638 -2.488 1.00 23.21 C ATOM 0 H VAL A 61 -6.469 -1.669 -4.303 1.00 74.14 H new ATOM 0 HA VAL A 61 -6.133 0.622 -2.741 1.00 63.40 H new ATOM 0 HB VAL A 61 -4.087 -0.877 -4.430 1.00 52.32 H new ATOM 0 HG11 VAL A 61 -2.422 -0.006 -2.834 1.00 60.44 H new ATOM 0 HG12 VAL A 61 -3.237 1.302 -3.724 1.00 60.44 H new ATOM 0 HG13 VAL A 61 -3.692 0.954 -2.040 1.00 60.44 H new ATOM 0 HG21 VAL A 61 -3.606 -2.121 -2.344 1.00 23.21 H new ATOM 0 HG22 VAL A 61 -4.936 -1.260 -1.532 1.00 23.21 H new ATOM 0 HG23 VAL A 61 -5.284 -2.362 -2.886 1.00 23.21 H new ATOM 857 N TYR A 62 -5.807 1.118 -5.966 1.00 34.14 N ATOM 858 CA TYR A 62 -5.722 2.142 -7.015 1.00 33.15 C ATOM 859 C TYR A 62 -6.810 3.215 -6.817 1.00 31.31 C ATOM 860 O TYR A 62 -6.590 4.401 -7.072 1.00 21.34 O ATOM 861 CB TYR A 62 -5.869 1.478 -8.388 1.00 45.50 C ATOM 862 CG TYR A 62 -5.279 2.274 -9.537 1.00 63.52 C ATOM 863 CD1 TYR A 62 -6.037 3.207 -10.236 1.00 20.14 C ATOM 864 CD2 TYR A 62 -3.960 2.075 -9.926 1.00 5.42 C ATOM 865 CE1 TYR A 62 -5.493 3.917 -11.291 1.00 65.33 C ATOM 866 CE2 TYR A 62 -3.410 2.783 -10.975 1.00 42.44 C ATOM 867 CZ TYR A 62 -4.180 3.700 -11.655 1.00 32.31 C ATOM 868 OH TYR A 62 -3.634 4.402 -12.707 1.00 41.21 O ATOM 0 H TYR A 62 -6.030 0.185 -6.312 1.00 34.14 H new ATOM 0 HA TYR A 62 -4.751 2.633 -6.955 1.00 33.15 H new ATOM 0 HB2 TYR A 62 -5.391 0.499 -8.357 1.00 45.50 H new ATOM 0 HB3 TYR A 62 -6.928 1.310 -8.585 1.00 45.50 H new ATOM 0 HD1 TYR A 62 -7.064 3.380 -9.951 1.00 20.14 H new ATOM 0 HD2 TYR A 62 -3.354 1.353 -9.398 1.00 5.42 H new ATOM 0 HE1 TYR A 62 -6.093 4.638 -11.827 1.00 65.33 H new ATOM 0 HE2 TYR A 62 -2.382 2.619 -11.261 1.00 42.44 H new ATOM 0 HH TYR A 62 -2.795 4.820 -12.421 1.00 41.21 H new ATOM 878 N ASP A 63 -7.980 2.776 -6.355 1.00 63.55 N ATOM 879 CA ASP A 63 -9.091 3.674 -6.017 1.00 54.02 C ATOM 880 C ASP A 63 -8.764 4.518 -4.767 1.00 72.11 C ATOM 881 O ASP A 63 -9.003 5.726 -4.734 1.00 21.24 O ATOM 882 CB ASP A 63 -10.361 2.836 -5.794 1.00 11.00 C ATOM 883 CG ASP A 63 -11.548 3.656 -5.320 1.00 75.02 C ATOM 884 OD1 ASP A 63 -12.245 4.252 -6.167 1.00 41.32 O ATOM 885 OD2 ASP A 63 -11.798 3.699 -4.094 1.00 23.44 O ATOM 0 H ASP A 63 -8.188 1.789 -6.203 1.00 63.55 H new ATOM 0 HA ASP A 63 -9.254 4.368 -6.842 1.00 54.02 H new ATOM 0 HB2 ASP A 63 -10.624 2.334 -6.725 1.00 11.00 H new ATOM 0 HB3 ASP A 63 -10.150 2.058 -5.060 1.00 11.00 H new ATOM 890 N LYS A 64 -8.203 3.869 -3.746 1.00 1.31 N ATOM 891 CA LYS A 64 -7.838 4.547 -2.488 1.00 13.40 C ATOM 892 C LYS A 64 -6.733 5.593 -2.690 1.00 24.15 C ATOM 893 O LYS A 64 -6.679 6.596 -1.979 1.00 74.21 O ATOM 894 CB LYS A 64 -7.374 3.518 -1.450 1.00 1.44 C ATOM 895 CG LYS A 64 -8.470 2.561 -1.005 1.00 53.50 C ATOM 896 CD LYS A 64 -9.575 3.272 -0.224 1.00 73.44 C ATOM 897 CE LYS A 64 -9.088 3.778 1.131 1.00 24.10 C ATOM 898 NZ LYS A 64 -10.175 4.439 1.903 1.00 43.32 N ATOM 0 H LYS A 64 -7.988 2.872 -3.760 1.00 1.31 H new ATOM 0 HA LYS A 64 -8.730 5.064 -2.134 1.00 13.40 H new ATOM 0 HB2 LYS A 64 -6.548 2.942 -1.867 1.00 1.44 H new ATOM 0 HB3 LYS A 64 -6.987 4.044 -0.577 1.00 1.44 H new ATOM 0 HG2 LYS A 64 -8.901 2.073 -1.879 1.00 53.50 H new ATOM 0 HG3 LYS A 64 -8.036 1.777 -0.385 1.00 53.50 H new ATOM 0 HD2 LYS A 64 -9.950 4.111 -0.810 1.00 73.44 H new ATOM 0 HD3 LYS A 64 -10.411 2.588 -0.076 1.00 73.44 H new ATOM 0 HE2 LYS A 64 -8.690 2.943 1.708 1.00 24.10 H new ATOM 0 HE3 LYS A 64 -8.269 4.482 0.982 1.00 24.10 H new ATOM 0 HZ1 LYS A 64 -10.050 4.242 2.917 1.00 43.32 H new ATOM 0 HZ2 LYS A 64 -10.140 5.466 1.743 1.00 43.32 H new ATOM 0 HZ3 LYS A 64 -11.096 4.071 1.590 1.00 43.32 H new ATOM 912 N VAL A 65 -5.842 5.346 -3.644 1.00 11.20 N ATOM 913 CA VAL A 65 -4.735 6.267 -3.923 1.00 1.21 C ATOM 914 C VAL A 65 -5.141 7.349 -4.952 1.00 71.03 C ATOM 915 O VAL A 65 -4.305 8.123 -5.426 1.00 62.33 O ATOM 916 CB VAL A 65 -3.490 5.486 -4.424 1.00 64.34 C ATOM 917 CG1 VAL A 65 -3.709 4.944 -5.831 1.00 52.11 C ATOM 918 CG2 VAL A 65 -2.229 6.343 -4.361 1.00 35.24 C ATOM 0 H VAL A 65 -5.861 4.518 -4.239 1.00 11.20 H new ATOM 0 HA VAL A 65 -4.483 6.772 -2.990 1.00 1.21 H new ATOM 0 HB VAL A 65 -3.347 4.638 -3.754 1.00 64.34 H new ATOM 0 HG11 VAL A 65 -2.820 4.402 -6.155 1.00 52.11 H new ATOM 0 HG12 VAL A 65 -4.566 4.270 -5.832 1.00 52.11 H new ATOM 0 HG13 VAL A 65 -3.898 5.772 -6.514 1.00 52.11 H new ATOM 0 HG21 VAL A 65 -1.378 5.764 -4.719 1.00 35.24 H new ATOM 0 HG22 VAL A 65 -2.357 7.226 -4.988 1.00 35.24 H new ATOM 0 HG23 VAL A 65 -2.050 6.652 -3.331 1.00 35.24 H new ATOM 928 N GLY A 66 -6.432 7.395 -5.292 1.00 21.45 N ATOM 929 CA GLY A 66 -6.940 8.404 -6.222 1.00 72.40 C ATOM 930 C GLY A 66 -6.422 8.242 -7.653 1.00 45.24 C ATOM 931 O GLY A 66 -6.518 9.164 -8.463 1.00 42.02 O ATOM 0 H GLY A 66 -7.139 6.750 -4.940 1.00 21.45 H new ATOM 0 HA2 GLY A 66 -8.029 8.359 -6.233 1.00 72.40 H new ATOM 0 HA3 GLY A 66 -6.665 9.393 -5.856 1.00 72.40 H new ATOM 935 N GLY A 67 -5.888 7.060 -7.968 1.00 25.24 N ATOM 936 CA GLY A 67 -5.278 6.830 -9.275 1.00 30.44 C ATOM 937 C GLY A 67 -4.001 7.637 -9.501 1.00 4.55 C ATOM 938 O GLY A 67 -3.524 7.754 -10.628 1.00 32.21 O ATOM 0 H GLY A 67 -5.866 6.256 -7.341 1.00 25.24 H new ATOM 0 HA2 GLY A 67 -5.051 5.769 -9.380 1.00 30.44 H new ATOM 0 HA3 GLY A 67 -5.999 7.080 -10.053 1.00 30.44 H new ATOM 942 N ASN A 68 -3.437 8.182 -8.424 1.00 53.11 N ATOM 943 CA ASN A 68 -2.220 9.006 -8.506 1.00 73.11 C ATOM 944 C ASN A 68 -0.962 8.161 -8.779 1.00 3.21 C ATOM 945 O ASN A 68 0.131 8.697 -8.981 1.00 23.14 O ATOM 946 CB ASN A 68 -2.062 9.814 -7.215 1.00 31.11 C ATOM 947 CG ASN A 68 -3.159 10.852 -7.056 1.00 12.34 C ATOM 948 OD1 ASN A 68 -3.557 11.502 -8.017 1.00 23.23 O ATOM 949 ND2 ASN A 68 -3.684 10.991 -5.858 1.00 35.20 N ATOM 0 H ASN A 68 -3.801 8.070 -7.478 1.00 53.11 H new ATOM 0 HA ASN A 68 -2.329 9.686 -9.351 1.00 73.11 H new ATOM 0 HB2 ASN A 68 -2.076 9.138 -6.360 1.00 31.11 H new ATOM 0 HB3 ASN A 68 -1.091 10.309 -7.214 1.00 31.11 H new ATOM 0 HD21 ASN A 68 -4.444 11.654 -5.708 1.00 35.20 H new ATOM 0 HD22 ASN A 68 -3.331 10.436 -5.079 1.00 35.20 H new ATOM 956 N ILE A 69 -1.121 6.841 -8.779 1.00 14.21 N ATOM 957 CA ILE A 69 -0.041 5.932 -9.169 1.00 24.42 C ATOM 958 C ILE A 69 -0.219 5.479 -10.627 1.00 72.05 C ATOM 959 O ILE A 69 -1.340 5.249 -11.080 1.00 65.20 O ATOM 960 CB ILE A 69 0.035 4.691 -8.243 1.00 12.45 C ATOM 961 CG1 ILE A 69 -1.280 3.892 -8.283 1.00 21.43 C ATOM 962 CG2 ILE A 69 0.369 5.112 -6.811 1.00 4.01 C ATOM 963 CD1 ILE A 69 -1.260 2.625 -7.447 1.00 3.52 C ATOM 0 H ILE A 69 -1.988 6.373 -8.513 1.00 14.21 H new ATOM 0 HA ILE A 69 0.894 6.484 -9.070 1.00 24.42 H new ATOM 0 HB ILE A 69 0.832 4.043 -8.607 1.00 12.45 H new ATOM 0 HG12 ILE A 69 -2.092 4.531 -7.936 1.00 21.43 H new ATOM 0 HG13 ILE A 69 -1.502 3.629 -9.317 1.00 21.43 H new ATOM 0 HG21 ILE A 69 0.418 4.229 -6.174 1.00 4.01 H new ATOM 0 HG22 ILE A 69 1.331 5.624 -6.797 1.00 4.01 H new ATOM 0 HG23 ILE A 69 -0.405 5.784 -6.440 1.00 4.01 H new ATOM 0 HD11 ILE A 69 -2.223 2.120 -7.528 1.00 3.52 H new ATOM 0 HD12 ILE A 69 -0.472 1.964 -7.807 1.00 3.52 H new ATOM 0 HD13 ILE A 69 -1.071 2.880 -6.404 1.00 3.52 H new ATOM 975 N GLY A 70 0.881 5.375 -11.366 1.00 71.24 N ATOM 976 CA GLY A 70 0.806 4.988 -12.772 1.00 5.12 C ATOM 977 C GLY A 70 0.555 3.494 -12.983 1.00 35.52 C ATOM 978 O GLY A 70 1.302 2.659 -12.473 1.00 34.34 O ATOM 0 H GLY A 70 1.825 5.551 -11.021 1.00 71.24 H new ATOM 0 HA2 GLY A 70 0.008 5.554 -13.254 1.00 5.12 H new ATOM 0 HA3 GLY A 70 1.737 5.265 -13.267 1.00 5.12 H new ATOM 982 N SER A 71 -0.495 3.155 -13.739 1.00 42.35 N ATOM 983 CA SER A 71 -0.789 1.750 -14.071 1.00 33.53 C ATOM 984 C SER A 71 0.299 1.149 -14.970 1.00 40.43 C ATOM 985 O SER A 71 0.136 1.046 -16.187 1.00 42.11 O ATOM 986 CB SER A 71 -2.158 1.608 -14.760 1.00 63.03 C ATOM 987 OG SER A 71 -3.229 1.865 -13.867 1.00 24.34 O ATOM 0 H SER A 71 -1.154 3.827 -14.132 1.00 42.35 H new ATOM 0 HA SER A 71 -0.812 1.203 -13.129 1.00 33.53 H new ATOM 0 HB2 SER A 71 -2.214 2.298 -15.602 1.00 63.03 H new ATOM 0 HB3 SER A 71 -2.257 0.601 -15.166 1.00 63.03 H new ATOM 0 HG SER A 71 -3.079 2.721 -13.414 1.00 24.34 H new ATOM 993 N THR A 72 1.421 0.784 -14.363 1.00 60.51 N ATOM 994 CA THR A 72 2.538 0.159 -15.086 1.00 53.52 C ATOM 995 C THR A 72 3.349 -0.754 -14.157 1.00 74.20 C ATOM 996 O THR A 72 4.451 -1.192 -14.490 1.00 64.23 O ATOM 997 CB THR A 72 3.479 1.224 -15.708 1.00 12.12 C ATOM 998 OG1 THR A 72 4.539 0.588 -16.443 1.00 3.11 O ATOM 999 CG2 THR A 72 4.069 2.140 -14.634 1.00 44.33 C ATOM 0 H THR A 72 1.589 0.908 -13.365 1.00 60.51 H new ATOM 0 HA THR A 72 2.105 -0.437 -15.889 1.00 53.52 H new ATOM 0 HB THR A 72 2.885 1.834 -16.389 1.00 12.12 H new ATOM 0 HG1 THR A 72 4.811 -0.233 -15.981 1.00 3.11 H new ATOM 0 HG21 THR A 72 4.724 2.875 -15.102 1.00 44.33 H new ATOM 0 HG22 THR A 72 3.262 2.654 -14.111 1.00 44.33 H new ATOM 0 HG23 THR A 72 4.642 1.545 -13.923 1.00 44.33 H new ATOM 1007 N TRP A 73 2.781 -1.048 -12.989 1.00 31.24 N ATOM 1008 CA TRP A 73 3.453 -1.872 -11.978 1.00 10.52 C ATOM 1009 C TRP A 73 3.044 -3.351 -12.095 1.00 51.04 C ATOM 1010 O TRP A 73 3.853 -4.247 -11.850 1.00 54.12 O ATOM 1011 CB TRP A 73 3.142 -1.338 -10.570 1.00 14.02 C ATOM 1012 CG TRP A 73 3.594 0.081 -10.341 1.00 40.32 C ATOM 1013 CD1 TRP A 73 4.346 0.854 -11.182 1.00 34.24 C ATOM 1014 CD2 TRP A 73 3.330 0.891 -9.190 1.00 25.14 C ATOM 1015 NE1 TRP A 73 4.561 2.088 -10.625 1.00 31.34 N ATOM 1016 CE2 TRP A 73 3.946 2.136 -9.403 1.00 54.11 C ATOM 1017 CE3 TRP A 73 2.626 0.686 -7.999 1.00 51.43 C ATOM 1018 CZ2 TRP A 73 3.886 3.167 -8.471 1.00 11.43 C ATOM 1019 CZ3 TRP A 73 2.565 1.711 -7.075 1.00 55.34 C ATOM 1020 CH2 TRP A 73 3.193 2.938 -7.315 1.00 42.53 C ATOM 0 H TRP A 73 1.852 -0.727 -12.716 1.00 31.24 H new ATOM 0 HA TRP A 73 4.527 -1.812 -12.153 1.00 10.52 H new ATOM 0 HB2 TRP A 73 2.067 -1.399 -10.398 1.00 14.02 H new ATOM 0 HB3 TRP A 73 3.619 -1.984 -9.833 1.00 14.02 H new ATOM 0 HD1 TRP A 73 4.717 0.538 -12.146 1.00 34.24 H new ATOM 0 HE1 TRP A 73 5.093 2.847 -11.052 1.00 31.34 H new ATOM 0 HE3 TRP A 73 2.138 -0.258 -7.805 1.00 51.43 H new ATOM 0 HZ2 TRP A 73 4.370 4.115 -8.654 1.00 11.43 H new ATOM 0 HZ3 TRP A 73 2.024 1.563 -6.152 1.00 55.34 H new ATOM 0 HH2 TRP A 73 3.129 3.720 -6.572 1.00 42.53 H new ATOM 1031 N GLY A 74 1.789 -3.601 -12.473 1.00 22.34 N ATOM 1032 CA GLY A 74 1.312 -4.972 -12.657 1.00 21.05 C ATOM 1033 C GLY A 74 0.913 -5.654 -11.351 1.00 23.01 C ATOM 1034 O GLY A 74 0.159 -5.091 -10.552 1.00 53.14 O ATOM 0 H GLY A 74 1.091 -2.880 -12.656 1.00 22.34 H new ATOM 0 HA2 GLY A 74 0.455 -4.964 -13.331 1.00 21.05 H new ATOM 0 HA3 GLY A 74 2.093 -5.559 -13.141 1.00 21.05 H new ATOM 1038 N ASN A 75 1.409 -6.872 -11.138 1.00 63.03 N ATOM 1039 CA ASN A 75 1.110 -7.626 -9.916 1.00 22.35 C ATOM 1040 C ASN A 75 1.732 -6.968 -8.674 1.00 55.24 C ATOM 1041 O ASN A 75 2.779 -6.323 -8.748 1.00 35.05 O ATOM 1042 CB ASN A 75 1.579 -9.077 -10.052 1.00 14.40 C ATOM 1043 CG ASN A 75 0.765 -9.842 -11.080 1.00 33.33 C ATOM 1044 OD1 ASN A 75 1.082 -9.861 -12.264 1.00 2.51 O ATOM 1045 ND2 ASN A 75 -0.305 -10.470 -10.634 1.00 55.23 N ATOM 0 H ASN A 75 2.019 -7.360 -11.794 1.00 63.03 H new ATOM 0 HA ASN A 75 0.028 -7.619 -9.781 1.00 22.35 H new ATOM 0 HB2 ASN A 75 2.631 -9.093 -10.337 1.00 14.40 H new ATOM 0 HB3 ASN A 75 1.503 -9.575 -9.085 1.00 14.40 H new ATOM 0 HD21 ASN A 75 -0.897 -10.992 -11.281 1.00 55.23 H new ATOM 0 HD22 ASN A 75 -0.541 -10.434 -9.642 1.00 55.23 H new ATOM 1052 N ALA A 76 1.084 -7.172 -7.529 1.00 2.30 N ATOM 1053 CA ALA A 76 1.396 -6.436 -6.298 1.00 64.52 C ATOM 1054 C ALA A 76 2.866 -6.567 -5.848 1.00 43.53 C ATOM 1055 O ALA A 76 3.429 -5.620 -5.298 1.00 1.14 O ATOM 1056 CB ALA A 76 0.456 -6.875 -5.186 1.00 44.02 C ATOM 0 H ALA A 76 0.329 -7.850 -7.425 1.00 2.30 H new ATOM 0 HA ALA A 76 1.249 -5.379 -6.520 1.00 64.52 H new ATOM 0 HB1 ALA A 76 0.691 -6.327 -4.274 1.00 44.02 H new ATOM 0 HB2 ALA A 76 -0.574 -6.670 -5.478 1.00 44.02 H new ATOM 0 HB3 ALA A 76 0.577 -7.944 -5.008 1.00 44.02 H new ATOM 1062 N ASN A 77 3.493 -7.721 -6.078 1.00 23.51 N ATOM 1063 CA ASN A 77 4.896 -7.919 -5.665 1.00 40.23 C ATOM 1064 C ASN A 77 5.861 -6.990 -6.430 1.00 41.42 C ATOM 1065 O ASN A 77 6.906 -6.600 -5.905 1.00 72.04 O ATOM 1066 CB ASN A 77 5.319 -9.396 -5.815 1.00 44.33 C ATOM 1067 CG ASN A 77 5.150 -9.947 -7.222 1.00 62.10 C ATOM 1068 OD1 ASN A 77 5.214 -9.221 -8.206 1.00 34.25 O ATOM 1069 ND2 ASN A 77 4.945 -11.245 -7.330 1.00 5.14 N ATOM 0 H ASN A 77 3.067 -8.525 -6.540 1.00 23.51 H new ATOM 0 HA ASN A 77 4.958 -7.653 -4.610 1.00 40.23 H new ATOM 0 HB2 ASN A 77 6.363 -9.496 -5.520 1.00 44.33 H new ATOM 0 HB3 ASN A 77 4.733 -10.003 -5.125 1.00 44.33 H new ATOM 0 HD21 ASN A 77 4.835 -11.669 -8.251 1.00 5.14 H new ATOM 0 HD22 ASN A 77 4.896 -11.825 -6.492 1.00 5.14 H new ATOM 1076 N ASN A 78 5.492 -6.610 -7.649 1.00 34.24 N ATOM 1077 CA ASN A 78 6.329 -5.735 -8.483 1.00 32.45 C ATOM 1078 C ASN A 78 6.097 -4.244 -8.154 1.00 40.23 C ATOM 1079 O ASN A 78 6.895 -3.386 -8.531 1.00 51.41 O ATOM 1080 CB ASN A 78 6.042 -6.014 -9.968 1.00 60.30 C ATOM 1081 CG ASN A 78 6.961 -5.250 -10.911 1.00 13.03 C ATOM 1082 OD1 ASN A 78 8.051 -5.700 -11.238 1.00 32.35 O ATOM 1083 ND2 ASN A 78 6.522 -4.097 -11.370 1.00 62.21 N ATOM 0 H ASN A 78 4.616 -6.892 -8.089 1.00 34.24 H new ATOM 0 HA ASN A 78 7.375 -5.953 -8.269 1.00 32.45 H new ATOM 0 HB2 ASN A 78 6.146 -7.083 -10.157 1.00 60.30 H new ATOM 0 HB3 ASN A 78 5.007 -5.751 -10.187 1.00 60.30 H new ATOM 0 HD21 ASN A 78 7.095 -3.554 -12.016 1.00 62.21 H new ATOM 0 HD22 ASN A 78 5.609 -3.747 -11.080 1.00 62.21 H new ATOM 1090 N TRP A 79 5.012 -3.948 -7.429 1.00 31.25 N ATOM 1091 CA TRP A 79 4.640 -2.562 -7.093 1.00 50.55 C ATOM 1092 C TRP A 79 5.800 -1.757 -6.476 1.00 60.21 C ATOM 1093 O TRP A 79 6.238 -0.768 -7.053 1.00 62.32 O ATOM 1094 CB TRP A 79 3.423 -2.546 -6.153 1.00 24.11 C ATOM 1095 CG TRP A 79 2.109 -2.660 -6.876 1.00 1.34 C ATOM 1096 CD1 TRP A 79 1.838 -3.422 -7.976 1.00 62.25 C ATOM 1097 CD2 TRP A 79 0.888 -1.984 -6.548 1.00 44.01 C ATOM 1098 NE1 TRP A 79 0.532 -3.255 -8.357 1.00 71.22 N ATOM 1099 CE2 TRP A 79 -0.074 -2.378 -7.496 1.00 61.21 C ATOM 1100 CE3 TRP A 79 0.517 -1.080 -5.546 1.00 3.41 C ATOM 1101 CZ2 TRP A 79 -1.382 -1.902 -7.469 1.00 44.33 C ATOM 1102 CZ3 TRP A 79 -0.782 -0.609 -5.522 1.00 72.43 C ATOM 1103 CH2 TRP A 79 -1.718 -1.021 -6.479 1.00 54.24 C ATOM 0 H TRP A 79 4.371 -4.651 -7.061 1.00 31.25 H new ATOM 0 HA TRP A 79 4.384 -2.073 -8.033 1.00 50.55 H new ATOM 0 HB2 TRP A 79 3.511 -3.368 -5.443 1.00 24.11 H new ATOM 0 HB3 TRP A 79 3.432 -1.622 -5.574 1.00 24.11 H new ATOM 0 HD1 TRP A 79 2.550 -4.064 -8.474 1.00 62.25 H new ATOM 0 HE1 TRP A 79 0.084 -3.710 -9.152 1.00 71.22 H new ATOM 0 HE3 TRP A 79 1.233 -0.756 -4.805 1.00 3.41 H new ATOM 0 HZ2 TRP A 79 -2.107 -2.218 -8.205 1.00 44.33 H new ATOM 0 HZ3 TRP A 79 -1.080 0.088 -4.753 1.00 72.43 H new ATOM 0 HH2 TRP A 79 -2.726 -0.635 -6.434 1.00 54.24 H new ATOM 1114 N ALA A 80 6.297 -2.181 -5.312 1.00 4.32 N ATOM 1115 CA ALA A 80 7.380 -1.457 -4.621 1.00 64.11 C ATOM 1116 C ALA A 80 8.611 -1.247 -5.524 1.00 73.15 C ATOM 1117 O ALA A 80 9.195 -0.159 -5.560 1.00 22.20 O ATOM 1118 CB ALA A 80 7.777 -2.195 -3.347 1.00 73.41 C ATOM 0 H ALA A 80 5.973 -3.017 -4.826 1.00 4.32 H new ATOM 0 HA ALA A 80 6.998 -0.469 -4.363 1.00 64.11 H new ATOM 0 HB1 ALA A 80 8.577 -1.651 -2.846 1.00 73.41 H new ATOM 0 HB2 ALA A 80 6.915 -2.265 -2.684 1.00 73.41 H new ATOM 0 HB3 ALA A 80 8.123 -3.197 -3.600 1.00 73.41 H new ATOM 1124 N SER A 81 8.991 -2.293 -6.256 1.00 52.34 N ATOM 1125 CA SER A 81 10.142 -2.235 -7.168 1.00 13.32 C ATOM 1126 C SER A 81 9.940 -1.174 -8.265 1.00 62.43 C ATOM 1127 O SER A 81 10.812 -0.342 -8.514 1.00 41.44 O ATOM 1128 CB SER A 81 10.371 -3.607 -7.823 1.00 73.44 C ATOM 1129 OG SER A 81 10.516 -4.635 -6.852 1.00 3.34 O ATOM 0 H SER A 81 8.519 -3.197 -6.238 1.00 52.34 H new ATOM 0 HA SER A 81 11.015 -1.958 -6.577 1.00 13.32 H new ATOM 0 HB2 SER A 81 9.533 -3.842 -8.479 1.00 73.44 H new ATOM 0 HB3 SER A 81 11.263 -3.568 -8.448 1.00 73.44 H new ATOM 0 HG SER A 81 10.658 -5.493 -7.303 1.00 3.34 H new ATOM 1135 N ALA A 82 8.771 -1.203 -8.901 1.00 64.44 N ATOM 1136 CA ALA A 82 8.460 -0.291 -10.007 1.00 5.12 C ATOM 1137 C ALA A 82 8.163 1.127 -9.499 1.00 71.20 C ATOM 1138 O ALA A 82 8.418 2.110 -10.191 1.00 31.44 O ATOM 1139 CB ALA A 82 7.283 -0.826 -10.814 1.00 45.03 C ATOM 0 H ALA A 82 8.018 -1.851 -8.670 1.00 64.44 H new ATOM 0 HA ALA A 82 9.336 -0.234 -10.653 1.00 5.12 H new ATOM 0 HB1 ALA A 82 7.061 -0.141 -11.632 1.00 45.03 H new ATOM 0 HB2 ALA A 82 7.535 -1.806 -11.220 1.00 45.03 H new ATOM 0 HB3 ALA A 82 6.409 -0.915 -10.168 1.00 45.03 H new ATOM 1145 N ALA A 83 7.626 1.219 -8.287 1.00 41.00 N ATOM 1146 CA ALA A 83 7.361 2.509 -7.643 1.00 74.53 C ATOM 1147 C ALA A 83 8.642 3.337 -7.525 1.00 52.41 C ATOM 1148 O ALA A 83 8.733 4.441 -8.063 1.00 32.14 O ATOM 1149 CB ALA A 83 6.743 2.291 -6.269 1.00 14.02 C ATOM 0 H ALA A 83 7.362 0.411 -7.724 1.00 41.00 H new ATOM 0 HA ALA A 83 6.657 3.063 -8.264 1.00 74.53 H new ATOM 0 HB1 ALA A 83 6.550 3.256 -5.800 1.00 14.02 H new ATOM 0 HB2 ALA A 83 5.806 1.745 -6.374 1.00 14.02 H new ATOM 0 HB3 ALA A 83 7.430 1.716 -5.648 1.00 14.02 H new ATOM 1155 N SER A 84 9.641 2.785 -6.843 1.00 55.14 N ATOM 1156 CA SER A 84 10.921 3.485 -6.649 1.00 34.03 C ATOM 1157 C SER A 84 11.610 3.752 -7.995 1.00 55.24 C ATOM 1158 O SER A 84 12.221 4.803 -8.201 1.00 1.43 O ATOM 1159 CB SER A 84 11.848 2.669 -5.737 1.00 31.44 C ATOM 1160 OG SER A 84 12.081 1.375 -6.270 1.00 51.23 O ATOM 0 H SER A 84 9.597 1.860 -6.415 1.00 55.14 H new ATOM 0 HA SER A 84 10.711 4.443 -6.173 1.00 34.03 H new ATOM 0 HB2 SER A 84 12.797 3.192 -5.616 1.00 31.44 H new ATOM 0 HB3 SER A 84 11.403 2.582 -4.746 1.00 31.44 H new ATOM 0 HG SER A 84 11.292 0.813 -6.122 1.00 51.23 H new ATOM 1166 N SER A 85 11.491 2.795 -8.911 1.00 1.21 N ATOM 1167 CA SER A 85 12.045 2.927 -10.269 1.00 42.32 C ATOM 1168 C SER A 85 11.370 4.064 -11.058 1.00 25.02 C ATOM 1169 O SER A 85 12.031 4.794 -11.800 1.00 25.12 O ATOM 1170 CB SER A 85 11.883 1.604 -11.032 1.00 61.24 C ATOM 1171 OG SER A 85 12.354 1.707 -12.368 1.00 32.14 O ATOM 0 H SER A 85 11.013 1.910 -8.742 1.00 1.21 H new ATOM 0 HA SER A 85 13.103 3.171 -10.169 1.00 42.32 H new ATOM 0 HB2 SER A 85 12.429 0.816 -10.513 1.00 61.24 H new ATOM 0 HB3 SER A 85 10.832 1.314 -11.038 1.00 61.24 H new ATOM 0 HG SER A 85 12.237 0.847 -12.823 1.00 32.14 H new ATOM 1177 N ALA A 86 10.057 4.217 -10.880 1.00 71.04 N ATOM 1178 CA ALA A 86 9.280 5.227 -11.618 1.00 14.11 C ATOM 1179 C ALA A 86 9.390 6.632 -10.996 1.00 71.35 C ATOM 1180 O ALA A 86 8.880 7.605 -11.553 1.00 2.15 O ATOM 1181 CB ALA A 86 7.817 4.803 -11.702 1.00 52.44 C ATOM 0 H ALA A 86 9.504 3.656 -10.232 1.00 71.04 H new ATOM 0 HA ALA A 86 9.704 5.288 -12.620 1.00 14.11 H new ATOM 0 HB1 ALA A 86 7.251 5.556 -12.250 1.00 52.44 H new ATOM 0 HB2 ALA A 86 7.744 3.847 -12.220 1.00 52.44 H new ATOM 0 HB3 ALA A 86 7.409 4.702 -10.696 1.00 52.44 H new ATOM 1187 N GLY A 87 10.044 6.733 -9.841 1.00 52.04 N ATOM 1188 CA GLY A 87 10.223 8.032 -9.188 1.00 70.24 C ATOM 1189 C GLY A 87 9.463 8.163 -7.871 1.00 33.31 C ATOM 1190 O GLY A 87 9.552 9.189 -7.194 1.00 74.32 O ATOM 0 H GLY A 87 10.455 5.944 -9.342 1.00 52.04 H new ATOM 0 HA2 GLY A 87 11.285 8.193 -9.003 1.00 70.24 H new ATOM 0 HA3 GLY A 87 9.895 8.819 -9.867 1.00 70.24 H new ATOM 1194 N TYR A 88 8.709 7.129 -7.504 1.00 62.30 N ATOM 1195 CA TYR A 88 7.980 7.125 -6.233 1.00 4.24 C ATOM 1196 C TYR A 88 8.927 6.852 -5.053 1.00 10.50 C ATOM 1197 O TYR A 88 10.086 6.476 -5.236 1.00 24.23 O ATOM 1198 CB TYR A 88 6.847 6.086 -6.255 1.00 54.42 C ATOM 1199 CG TYR A 88 5.762 6.365 -7.287 1.00 5.11 C ATOM 1200 CD1 TYR A 88 6.008 6.211 -8.652 1.00 63.30 C ATOM 1201 CD2 TYR A 88 4.493 6.781 -6.897 1.00 61.11 C ATOM 1202 CE1 TYR A 88 5.022 6.464 -9.589 1.00 31.40 C ATOM 1203 CE2 TYR A 88 3.505 7.032 -7.829 1.00 71.54 C ATOM 1204 CZ TYR A 88 3.773 6.873 -9.172 1.00 43.32 C ATOM 1205 OH TYR A 88 2.785 7.128 -10.100 1.00 34.44 O ATOM 0 H TYR A 88 8.586 6.286 -8.064 1.00 62.30 H new ATOM 0 HA TYR A 88 7.542 8.114 -6.100 1.00 4.24 H new ATOM 0 HB2 TYR A 88 7.275 5.103 -6.451 1.00 54.42 H new ATOM 0 HB3 TYR A 88 6.390 6.043 -5.266 1.00 54.42 H new ATOM 0 HD1 TYR A 88 6.984 5.889 -8.982 1.00 63.30 H new ATOM 0 HD2 TYR A 88 4.277 6.910 -5.847 1.00 61.11 H new ATOM 0 HE1 TYR A 88 5.230 6.342 -10.642 1.00 31.40 H new ATOM 0 HE2 TYR A 88 2.525 7.352 -7.507 1.00 71.54 H new ATOM 0 HH TYR A 88 3.186 7.207 -10.991 1.00 34.44 H new ATOM 1215 N THR A 89 8.421 7.020 -3.839 1.00 73.34 N ATOM 1216 CA THR A 89 9.265 6.948 -2.632 1.00 44.43 C ATOM 1217 C THR A 89 8.884 5.766 -1.726 1.00 3.32 C ATOM 1218 O THR A 89 7.894 5.820 -1.002 1.00 24.03 O ATOM 1219 CB THR A 89 9.170 8.267 -1.824 1.00 11.12 C ATOM 1220 OG1 THR A 89 9.543 9.381 -2.651 1.00 35.33 O ATOM 1221 CG2 THR A 89 10.063 8.237 -0.593 1.00 32.52 C ATOM 0 H THR A 89 7.436 7.207 -3.654 1.00 73.34 H new ATOM 0 HA THR A 89 10.289 6.796 -2.972 1.00 44.43 H new ATOM 0 HB THR A 89 8.136 8.376 -1.496 1.00 11.12 H new ATOM 0 HG1 THR A 89 9.478 10.210 -2.132 1.00 35.33 H new ATOM 0 HG21 THR A 89 9.969 9.179 -0.052 1.00 32.52 H new ATOM 0 HG22 THR A 89 9.761 7.415 0.056 1.00 32.52 H new ATOM 0 HG23 THR A 89 11.100 8.096 -0.899 1.00 32.52 H new ATOM 1229 N VAL A 90 9.684 4.701 -1.755 1.00 33.31 N ATOM 1230 CA VAL A 90 9.386 3.488 -0.982 1.00 11.03 C ATOM 1231 C VAL A 90 10.242 3.398 0.296 1.00 50.10 C ATOM 1232 O VAL A 90 11.469 3.349 0.236 1.00 12.01 O ATOM 1233 CB VAL A 90 9.609 2.209 -1.829 1.00 14.12 C ATOM 1234 CG1 VAL A 90 9.217 0.959 -1.040 1.00 53.51 C ATOM 1235 CG2 VAL A 90 8.831 2.290 -3.142 1.00 70.21 C ATOM 0 H VAL A 90 10.543 4.650 -2.303 1.00 33.31 H new ATOM 0 HA VAL A 90 8.336 3.555 -0.699 1.00 11.03 H new ATOM 0 HB VAL A 90 10.671 2.138 -2.066 1.00 14.12 H new ATOM 0 HG11 VAL A 90 9.382 0.074 -1.655 1.00 53.51 H new ATOM 0 HG12 VAL A 90 9.825 0.893 -0.138 1.00 53.51 H new ATOM 0 HG13 VAL A 90 8.164 1.018 -0.764 1.00 53.51 H new ATOM 0 HG21 VAL A 90 9.001 1.383 -3.722 1.00 70.21 H new ATOM 0 HG22 VAL A 90 7.767 2.391 -2.929 1.00 70.21 H new ATOM 0 HG23 VAL A 90 9.170 3.154 -3.713 1.00 70.21 H new ATOM 1245 N ASN A 91 9.575 3.372 1.448 1.00 21.33 N ATOM 1246 CA ASN A 91 10.245 3.251 2.750 1.00 72.12 C ATOM 1247 C ASN A 91 9.405 2.391 3.704 1.00 72.31 C ATOM 1248 O ASN A 91 8.245 2.103 3.425 1.00 43.31 O ATOM 1249 CB ASN A 91 10.471 4.634 3.385 1.00 23.32 C ATOM 1250 CG ASN A 91 11.517 5.462 2.660 1.00 10.24 C ATOM 1251 OD1 ASN A 91 12.704 5.366 2.942 1.00 14.14 O ATOM 1252 ND2 ASN A 91 11.087 6.299 1.740 1.00 31.32 N ATOM 0 H ASN A 91 8.559 3.434 1.510 1.00 21.33 H new ATOM 0 HA ASN A 91 11.212 2.776 2.583 1.00 72.12 H new ATOM 0 HB2 ASN A 91 9.528 5.180 3.395 1.00 23.32 H new ATOM 0 HB3 ASN A 91 10.776 4.504 4.424 1.00 23.32 H new ATOM 0 HD21 ASN A 91 11.750 6.891 1.239 1.00 31.32 H new ATOM 0 HD22 ASN A 91 10.091 6.356 1.528 1.00 31.32 H new ATOM 1259 N ASN A 92 9.983 1.997 4.836 1.00 10.40 N ATOM 1260 CA ASN A 92 9.235 1.252 5.862 1.00 34.22 C ATOM 1261 C ASN A 92 8.501 2.200 6.825 1.00 35.35 C ATOM 1262 O ASN A 92 8.016 1.781 7.873 1.00 61.13 O ATOM 1263 CB ASN A 92 10.162 0.310 6.640 1.00 70.42 C ATOM 1264 CG ASN A 92 10.646 -0.844 5.783 1.00 51.03 C ATOM 1265 OD1 ASN A 92 11.706 -0.783 5.170 1.00 51.23 O ATOM 1266 ND2 ASN A 92 9.865 -1.904 5.722 1.00 60.11 N ATOM 0 H ASN A 92 10.959 2.176 5.071 1.00 10.40 H new ATOM 0 HA ASN A 92 8.485 0.652 5.347 1.00 34.22 H new ATOM 0 HB2 ASN A 92 11.020 0.870 7.012 1.00 70.42 H new ATOM 0 HB3 ASN A 92 9.635 -0.081 7.510 1.00 70.42 H new ATOM 0 HD21 ASN A 92 10.136 -2.705 5.152 1.00 60.11 H new ATOM 0 HD22 ASN A 92 8.989 -1.923 6.244 1.00 60.11 H new ATOM 1273 N SER A 93 8.425 3.482 6.457 1.00 1.21 N ATOM 1274 CA SER A 93 7.640 4.468 7.214 1.00 45.20 C ATOM 1275 C SER A 93 6.141 4.137 7.142 1.00 74.03 C ATOM 1276 O SER A 93 5.514 4.305 6.091 1.00 22.44 O ATOM 1277 CB SER A 93 7.884 5.885 6.673 1.00 33.31 C ATOM 1278 OG SER A 93 7.088 6.841 7.356 1.00 25.11 O ATOM 0 H SER A 93 8.898 3.864 5.638 1.00 1.21 H new ATOM 0 HA SER A 93 7.962 4.427 8.255 1.00 45.20 H new ATOM 0 HB2 SER A 93 8.938 6.142 6.781 1.00 33.31 H new ATOM 0 HB3 SER A 93 7.657 5.914 5.607 1.00 33.31 H new ATOM 0 HG SER A 93 7.265 7.734 6.992 1.00 25.11 H new ATOM 1284 N PRO A 94 5.544 3.675 8.262 1.00 72.33 N ATOM 1285 CA PRO A 94 4.167 3.147 8.280 1.00 63.44 C ATOM 1286 C PRO A 94 3.075 4.223 8.404 1.00 60.40 C ATOM 1287 O PRO A 94 1.919 3.907 8.676 1.00 54.30 O ATOM 1288 CB PRO A 94 4.191 2.258 9.527 1.00 21.00 C ATOM 1289 CG PRO A 94 5.105 2.974 10.467 1.00 42.22 C ATOM 1290 CD PRO A 94 6.160 3.633 9.608 1.00 1.42 C ATOM 0 HA PRO A 94 3.914 2.643 7.347 1.00 63.44 H new ATOM 0 HB2 PRO A 94 3.194 2.141 9.952 1.00 21.00 H new ATOM 0 HB3 PRO A 94 4.559 1.258 9.297 1.00 21.00 H new ATOM 0 HG2 PRO A 94 4.560 3.715 11.051 1.00 42.22 H new ATOM 0 HG3 PRO A 94 5.557 2.280 11.175 1.00 42.22 H new ATOM 0 HD2 PRO A 94 6.402 4.633 9.968 1.00 1.42 H new ATOM 0 HD3 PRO A 94 7.088 3.062 9.606 1.00 1.42 H new ATOM 1298 N GLU A 95 3.441 5.485 8.194 1.00 73.20 N ATOM 1299 CA GLU A 95 2.496 6.605 8.332 1.00 61.04 C ATOM 1300 C GLU A 95 1.320 6.496 7.335 1.00 42.43 C ATOM 1301 O GLU A 95 1.467 5.967 6.227 1.00 74.33 O ATOM 1302 CB GLU A 95 3.235 7.942 8.147 1.00 12.31 C ATOM 1303 CG GLU A 95 2.370 9.178 8.402 1.00 62.01 C ATOM 1304 CD GLU A 95 1.793 9.225 9.812 1.00 70.15 C ATOM 1305 OE1 GLU A 95 2.496 9.679 10.739 1.00 73.44 O ATOM 1306 OE2 GLU A 95 0.626 8.815 9.997 1.00 74.10 O ATOM 0 H GLU A 95 4.385 5.764 7.927 1.00 73.20 H new ATOM 0 HA GLU A 95 2.074 6.561 9.336 1.00 61.04 H new ATOM 0 HB2 GLU A 95 4.092 7.967 8.820 1.00 12.31 H new ATOM 0 HB3 GLU A 95 3.627 7.990 7.131 1.00 12.31 H new ATOM 0 HG2 GLU A 95 2.967 10.073 8.231 1.00 62.01 H new ATOM 0 HG3 GLU A 95 1.553 9.197 7.681 1.00 62.01 H new ATOM 1313 N ALA A 96 0.158 7.016 7.743 1.00 11.12 N ATOM 1314 CA ALA A 96 -1.081 6.927 6.951 1.00 51.34 C ATOM 1315 C ALA A 96 -0.963 7.604 5.574 1.00 42.55 C ATOM 1316 O ALA A 96 -0.198 8.550 5.394 1.00 30.44 O ATOM 1317 CB ALA A 96 -2.236 7.532 7.740 1.00 41.51 C ATOM 0 H ALA A 96 0.046 7.510 8.628 1.00 11.12 H new ATOM 0 HA ALA A 96 -1.269 5.870 6.762 1.00 51.34 H new ATOM 0 HB1 ALA A 96 -3.152 7.466 7.153 1.00 41.51 H new ATOM 0 HB2 ALA A 96 -2.364 6.986 8.675 1.00 41.51 H new ATOM 0 HB3 ALA A 96 -2.020 8.578 7.958 1.00 41.51 H new ATOM 1323 N GLY A 97 -1.748 7.118 4.610 1.00 62.24 N ATOM 1324 CA GLY A 97 -1.707 7.655 3.252 1.00 22.32 C ATOM 1325 C GLY A 97 -0.656 6.983 2.371 1.00 50.14 C ATOM 1326 O GLY A 97 -0.184 7.567 1.393 1.00 32.44 O ATOM 0 H GLY A 97 -2.415 6.358 4.745 1.00 62.24 H new ATOM 0 HA2 GLY A 97 -2.688 7.536 2.791 1.00 22.32 H new ATOM 0 HA3 GLY A 97 -1.504 8.725 3.297 1.00 22.32 H new ATOM 1330 N SER A 98 -0.283 5.755 2.721 1.00 4.13 N ATOM 1331 CA SER A 98 0.725 5.003 1.964 1.00 64.42 C ATOM 1332 C SER A 98 0.237 3.583 1.654 1.00 5.43 C ATOM 1333 O SER A 98 -0.671 3.066 2.306 1.00 75.14 O ATOM 1334 CB SER A 98 2.048 4.938 2.745 1.00 50.30 C ATOM 1335 OG SER A 98 1.901 4.227 3.966 1.00 13.15 O ATOM 0 H SER A 98 -0.662 5.255 3.525 1.00 4.13 H new ATOM 0 HA SER A 98 0.891 5.526 1.022 1.00 64.42 H new ATOM 0 HB2 SER A 98 2.809 4.456 2.132 1.00 50.30 H new ATOM 0 HB3 SER A 98 2.399 5.949 2.952 1.00 50.30 H new ATOM 0 HG SER A 98 1.758 4.862 4.699 1.00 13.15 H new ATOM 1341 N ILE A 99 0.838 2.960 0.644 1.00 51.54 N ATOM 1342 CA ILE A 99 0.489 1.585 0.262 1.00 63.25 C ATOM 1343 C ILE A 99 1.557 0.602 0.757 1.00 23.22 C ATOM 1344 O ILE A 99 2.718 0.705 0.374 1.00 0.04 O ATOM 1345 CB ILE A 99 0.351 1.431 -1.280 1.00 2.35 C ATOM 1346 CG1 ILE A 99 -0.648 2.454 -1.861 1.00 35.42 C ATOM 1347 CG2 ILE A 99 -0.068 0.006 -1.640 1.00 4.24 C ATOM 1348 CD1 ILE A 99 -0.058 3.832 -2.096 1.00 41.20 C ATOM 0 H ILE A 99 1.570 3.381 0.072 1.00 51.54 H new ATOM 0 HA ILE A 99 -0.472 1.362 0.726 1.00 63.25 H new ATOM 0 HB ILE A 99 1.326 1.631 -1.724 1.00 2.35 H new ATOM 0 HG12 ILE A 99 -1.036 2.071 -2.805 1.00 35.42 H new ATOM 0 HG13 ILE A 99 -1.495 2.544 -1.181 1.00 35.42 H new ATOM 0 HG21 ILE A 99 -0.160 -0.084 -2.722 1.00 4.24 H new ATOM 0 HG22 ILE A 99 0.684 -0.696 -1.280 1.00 4.24 H new ATOM 0 HG23 ILE A 99 -1.027 -0.220 -1.175 1.00 4.24 H new ATOM 0 HD11 ILE A 99 -0.824 4.491 -2.505 1.00 41.20 H new ATOM 0 HD12 ILE A 99 0.304 4.239 -1.152 1.00 41.20 H new ATOM 0 HD13 ILE A 99 0.770 3.758 -2.800 1.00 41.20 H new ATOM 1360 N LEU A 100 1.175 -0.352 1.603 1.00 45.11 N ATOM 1361 CA LEU A 100 2.143 -1.333 2.119 1.00 42.51 C ATOM 1362 C LEU A 100 2.115 -2.633 1.296 1.00 22.15 C ATOM 1363 O LEU A 100 1.051 -3.197 1.027 1.00 2.54 O ATOM 1364 CB LEU A 100 1.920 -1.625 3.620 1.00 63.54 C ATOM 1365 CG LEU A 100 0.758 -2.566 4.000 1.00 34.32 C ATOM 1366 CD1 LEU A 100 0.732 -2.802 5.510 1.00 64.34 C ATOM 1367 CD2 LEU A 100 -0.583 -2.016 3.532 1.00 34.32 C ATOM 0 H LEU A 100 0.221 -0.471 1.944 1.00 45.11 H new ATOM 0 HA LEU A 100 3.133 -0.890 2.015 1.00 42.51 H new ATOM 0 HB2 LEU A 100 2.841 -2.050 4.020 1.00 63.54 H new ATOM 0 HB3 LEU A 100 1.761 -0.673 4.127 1.00 63.54 H new ATOM 0 HG LEU A 100 0.926 -3.517 3.494 1.00 34.32 H new ATOM 0 HD11 LEU A 100 -0.094 -3.468 5.760 1.00 64.34 H new ATOM 0 HD12 LEU A 100 1.672 -3.256 5.824 1.00 64.34 H new ATOM 0 HD13 LEU A 100 0.599 -1.850 6.025 1.00 64.34 H new ATOM 0 HD21 LEU A 100 -1.378 -2.705 3.817 1.00 34.32 H new ATOM 0 HD22 LEU A 100 -0.760 -1.046 3.996 1.00 34.32 H new ATOM 0 HD23 LEU A 100 -0.572 -1.903 2.448 1.00 34.32 H new ATOM 1379 N GLN A 101 3.294 -3.086 0.879 1.00 63.01 N ATOM 1380 CA GLN A 101 3.426 -4.305 0.076 1.00 51.41 C ATOM 1381 C GLN A 101 3.739 -5.536 0.939 1.00 61.04 C ATOM 1382 O GLN A 101 4.718 -5.556 1.688 1.00 55.41 O ATOM 1383 CB GLN A 101 4.531 -4.130 -0.981 1.00 71.22 C ATOM 1384 CG GLN A 101 4.944 -5.435 -1.659 1.00 22.32 C ATOM 1385 CD GLN A 101 6.085 -5.259 -2.645 1.00 62.20 C ATOM 1386 OE1 GLN A 101 7.250 -5.300 -2.275 1.00 30.41 O ATOM 1387 NE2 GLN A 101 5.761 -5.084 -3.907 1.00 64.10 N ATOM 0 H GLN A 101 4.180 -2.625 1.084 1.00 63.01 H new ATOM 0 HA GLN A 101 2.466 -4.471 -0.412 1.00 51.41 H new ATOM 0 HB2 GLN A 101 4.187 -3.429 -1.741 1.00 71.22 H new ATOM 0 HB3 GLN A 101 5.406 -3.683 -0.509 1.00 71.22 H new ATOM 0 HG2 GLN A 101 5.239 -6.156 -0.897 1.00 22.32 H new ATOM 0 HG3 GLN A 101 4.083 -5.855 -2.180 1.00 22.32 H new ATOM 0 HE21 GLN A 101 4.779 -5.055 -4.182 1.00 64.10 H new ATOM 0 HE22 GLN A 101 6.491 -4.978 -4.611 1.00 64.10 H new ATOM 1396 N SER A 102 2.899 -6.560 0.816 1.00 20.45 N ATOM 1397 CA SER A 102 3.162 -7.871 1.419 1.00 72.11 C ATOM 1398 C SER A 102 3.629 -8.873 0.357 1.00 32.04 C ATOM 1399 O SER A 102 2.844 -9.325 -0.480 1.00 32.34 O ATOM 1400 CB SER A 102 1.911 -8.418 2.119 1.00 41.35 C ATOM 1401 OG SER A 102 2.142 -9.728 2.617 1.00 41.11 O ATOM 0 H SER A 102 2.021 -6.509 0.300 1.00 20.45 H new ATOM 0 HA SER A 102 3.951 -7.738 2.159 1.00 72.11 H new ATOM 0 HB2 SER A 102 1.630 -7.757 2.939 1.00 41.35 H new ATOM 0 HB3 SER A 102 1.075 -8.432 1.420 1.00 41.35 H new ATOM 0 HG SER A 102 1.332 -10.057 3.061 1.00 41.11 H new ATOM 1466 N GLY A 108 2.180 -11.388 -4.908 1.00 23.53 N ATOM 1467 CA GLY A 108 2.270 -10.292 -3.952 1.00 63.10 C ATOM 1468 C GLY A 108 0.908 -9.771 -3.508 1.00 24.05 C ATOM 1469 O GLY A 108 -0.127 -10.163 -4.047 1.00 53.01 O ATOM 0 HA2 GLY A 108 2.827 -10.626 -3.077 1.00 63.10 H new ATOM 0 HA3 GLY A 108 2.837 -9.475 -4.398 1.00 63.10 H new ATOM 1473 N HIS A 109 0.904 -8.874 -2.528 1.00 54.23 N ATOM 1474 CA HIS A 109 -0.337 -8.267 -2.042 1.00 2.44 C ATOM 1475 C HIS A 109 -0.097 -6.826 -1.568 1.00 72.31 C ATOM 1476 O HIS A 109 0.991 -6.493 -1.103 1.00 51.42 O ATOM 1477 CB HIS A 109 -0.919 -9.115 -0.909 1.00 1.33 C ATOM 1478 CG HIS A 109 -2.188 -8.560 -0.339 1.00 1.13 C ATOM 1479 ND1 HIS A 109 -3.318 -8.413 -1.111 1.00 21.12 N ATOM 1480 CD2 HIS A 109 -2.449 -8.123 0.916 1.00 62.13 C ATOM 1481 CE1 HIS A 109 -4.234 -7.894 -0.310 1.00 13.43 C ATOM 1482 NE2 HIS A 109 -3.750 -7.705 0.925 1.00 71.01 N ATOM 0 H HIS A 109 1.745 -8.549 -2.052 1.00 54.23 H new ATOM 0 HA HIS A 109 -1.052 -8.232 -2.864 1.00 2.44 H new ATOM 0 HB2 HIS A 109 -1.107 -10.123 -1.280 1.00 1.33 H new ATOM 0 HB3 HIS A 109 -0.179 -9.201 -0.113 1.00 1.33 H new ATOM 0 HD2 HIS A 109 -1.762 -8.108 1.749 1.00 62.13 H new ATOM 0 HE1 HIS A 109 -5.242 -7.654 -0.613 1.00 13.43 H new ATOM 0 HE2 HIS A 109 -4.257 -7.321 1.722 1.00 71.01 H new ATOM 1490 N VAL A 110 -1.109 -5.972 -1.701 1.00 21.00 N ATOM 1491 CA VAL A 110 -1.002 -4.561 -1.297 1.00 70.15 C ATOM 1492 C VAL A 110 -2.302 -4.052 -0.652 1.00 2.23 C ATOM 1493 O VAL A 110 -3.395 -4.537 -0.954 1.00 73.52 O ATOM 1494 CB VAL A 110 -0.644 -3.643 -2.500 1.00 14.15 C ATOM 1495 CG1 VAL A 110 0.803 -3.853 -2.951 1.00 24.24 C ATOM 1496 CG2 VAL A 110 -1.612 -3.870 -3.663 1.00 53.31 C ATOM 0 H VAL A 110 -2.018 -6.228 -2.086 1.00 21.00 H new ATOM 0 HA VAL A 110 -0.198 -4.517 -0.562 1.00 70.15 H new ATOM 0 HB VAL A 110 -0.742 -2.609 -2.168 1.00 14.15 H new ATOM 0 HG11 VAL A 110 1.021 -3.196 -3.793 1.00 24.24 H new ATOM 0 HG12 VAL A 110 1.478 -3.622 -2.127 1.00 24.24 H new ATOM 0 HG13 VAL A 110 0.943 -4.891 -3.254 1.00 24.24 H new ATOM 0 HG21 VAL A 110 -1.343 -3.217 -4.493 1.00 53.31 H new ATOM 0 HG22 VAL A 110 -1.556 -4.910 -3.986 1.00 53.31 H new ATOM 0 HG23 VAL A 110 -2.628 -3.645 -3.340 1.00 53.31 H new ATOM 1506 N ALA A 111 -2.167 -3.068 0.235 1.00 30.14 N ATOM 1507 CA ALA A 111 -3.319 -2.440 0.893 1.00 41.22 C ATOM 1508 C ALA A 111 -3.030 -0.966 1.221 1.00 71.11 C ATOM 1509 O ALA A 111 -1.882 -0.518 1.149 1.00 11.01 O ATOM 1510 CB ALA A 111 -3.691 -3.205 2.160 1.00 42.00 C ATOM 0 H ALA A 111 -1.266 -2.684 0.518 1.00 30.14 H new ATOM 0 HA ALA A 111 -4.163 -2.474 0.204 1.00 41.22 H new ATOM 0 HB1 ALA A 111 -4.547 -2.726 2.636 1.00 42.00 H new ATOM 0 HB2 ALA A 111 -3.947 -4.233 1.903 1.00 42.00 H new ATOM 0 HB3 ALA A 111 -2.845 -3.203 2.848 1.00 42.00 H new ATOM 1516 N TYR A 112 -4.065 -0.213 1.588 1.00 10.44 N ATOM 1517 CA TYR A 112 -3.911 1.221 1.870 1.00 41.35 C ATOM 1518 C TYR A 112 -3.903 1.494 3.385 1.00 61.32 C ATOM 1519 O TYR A 112 -4.778 1.027 4.115 1.00 1.32 O ATOM 1520 CB TYR A 112 -5.040 2.009 1.192 1.00 4.03 C ATOM 1521 CG TYR A 112 -4.854 3.519 1.224 1.00 40.04 C ATOM 1522 CD1 TYR A 112 -3.985 4.151 0.338 1.00 0.14 C ATOM 1523 CD2 TYR A 112 -5.557 4.312 2.126 1.00 21.42 C ATOM 1524 CE1 TYR A 112 -3.821 5.524 0.352 1.00 54.44 C ATOM 1525 CE2 TYR A 112 -5.397 5.685 2.146 1.00 0.14 C ATOM 1526 CZ TYR A 112 -4.531 6.287 1.257 1.00 71.44 C ATOM 1527 OH TYR A 112 -4.375 7.657 1.268 1.00 23.41 O ATOM 0 H TYR A 112 -5.016 -0.565 1.698 1.00 10.44 H new ATOM 0 HA TYR A 112 -2.952 1.548 1.468 1.00 41.35 H new ATOM 0 HB2 TYR A 112 -5.121 1.686 0.154 1.00 4.03 H new ATOM 0 HB3 TYR A 112 -5.984 1.760 1.677 1.00 4.03 H new ATOM 0 HD1 TYR A 112 -3.429 3.558 -0.373 1.00 0.14 H new ATOM 0 HD2 TYR A 112 -6.239 3.847 2.822 1.00 21.42 H new ATOM 0 HE1 TYR A 112 -3.141 5.997 -0.341 1.00 54.44 H new ATOM 0 HE2 TYR A 112 -5.948 6.284 2.855 1.00 0.14 H new ATOM 0 HH TYR A 112 -4.946 8.046 1.963 1.00 23.41 H new ATOM 1537 N VAL A 113 -2.907 2.244 3.852 1.00 3.42 N ATOM 1538 CA VAL A 113 -2.803 2.598 5.273 1.00 23.40 C ATOM 1539 C VAL A 113 -3.721 3.780 5.628 1.00 45.10 C ATOM 1540 O VAL A 113 -3.481 4.915 5.208 1.00 21.43 O ATOM 1541 CB VAL A 113 -1.344 2.950 5.659 1.00 51.41 C ATOM 1542 CG1 VAL A 113 -1.248 3.331 7.136 1.00 5.54 C ATOM 1543 CG2 VAL A 113 -0.408 1.787 5.334 1.00 63.34 C ATOM 0 H VAL A 113 -2.159 2.620 3.270 1.00 3.42 H new ATOM 0 HA VAL A 113 -3.121 1.723 5.839 1.00 23.40 H new ATOM 0 HB VAL A 113 -1.033 3.813 5.070 1.00 51.41 H new ATOM 0 HG11 VAL A 113 -0.214 3.574 7.383 1.00 5.54 H new ATOM 0 HG12 VAL A 113 -1.880 4.197 7.330 1.00 5.54 H new ATOM 0 HG13 VAL A 113 -1.581 2.494 7.750 1.00 5.54 H new ATOM 0 HG21 VAL A 113 0.612 2.052 5.612 1.00 63.34 H new ATOM 0 HG22 VAL A 113 -0.718 0.904 5.892 1.00 63.34 H new ATOM 0 HG23 VAL A 113 -0.449 1.574 4.266 1.00 63.34 H new ATOM 1553 N GLU A 114 -4.767 3.503 6.408 1.00 3.51 N ATOM 1554 CA GLU A 114 -5.741 4.532 6.803 1.00 4.23 C ATOM 1555 C GLU A 114 -5.268 5.337 8.026 1.00 43.53 C ATOM 1556 O GLU A 114 -5.355 6.568 8.038 1.00 14.24 O ATOM 1557 CB GLU A 114 -7.107 3.883 7.090 1.00 30.34 C ATOM 1558 CG GLU A 114 -7.775 3.261 5.861 1.00 74.43 C ATOM 1559 CD GLU A 114 -8.396 4.290 4.916 1.00 50.31 C ATOM 1560 OE1 GLU A 114 -7.700 5.245 4.511 1.00 65.22 O ATOM 1561 OE2 GLU A 114 -9.591 4.155 4.580 1.00 10.34 O ATOM 0 H GLU A 114 -4.965 2.575 6.781 1.00 3.51 H new ATOM 0 HA GLU A 114 -5.837 5.230 5.971 1.00 4.23 H new ATOM 0 HB2 GLU A 114 -6.978 3.112 7.849 1.00 30.34 H new ATOM 0 HB3 GLU A 114 -7.774 4.636 7.510 1.00 30.34 H new ATOM 0 HG2 GLU A 114 -7.036 2.676 5.313 1.00 74.43 H new ATOM 0 HG3 GLU A 114 -8.550 2.568 6.190 1.00 74.43 H new ATOM 1568 N ASN A 115 -4.763 4.646 9.052 1.00 21.41 N ATOM 1569 CA ASN A 115 -4.355 5.316 10.298 1.00 73.25 C ATOM 1570 C ASN A 115 -3.356 4.478 11.118 1.00 51.14 C ATOM 1571 O ASN A 115 -3.392 3.247 11.100 1.00 2.45 O ATOM 1572 CB ASN A 115 -5.594 5.641 11.144 1.00 33.50 C ATOM 1573 CG ASN A 115 -5.248 6.375 12.425 1.00 62.43 C ATOM 1574 OD1 ASN A 115 -5.114 7.592 12.435 1.00 55.33 O ATOM 1575 ND2 ASN A 115 -5.116 5.647 13.517 1.00 51.21 N ATOM 0 H ASN A 115 -4.627 3.635 9.049 1.00 21.41 H new ATOM 0 HA ASN A 115 -3.845 6.238 10.020 1.00 73.25 H new ATOM 0 HB2 ASN A 115 -6.282 6.248 10.556 1.00 33.50 H new ATOM 0 HB3 ASN A 115 -6.115 4.716 11.389 1.00 33.50 H new ATOM 0 HD21 ASN A 115 -4.896 6.096 14.406 1.00 51.21 H new ATOM 0 HD22 ASN A 115 -5.234 4.635 13.473 1.00 51.21 H new ATOM 1582 N VAL A 116 -2.466 5.166 11.839 1.00 22.32 N ATOM 1583 CA VAL A 116 -1.490 4.515 12.722 1.00 2.13 C ATOM 1584 C VAL A 116 -1.836 4.777 14.201 1.00 4.33 C ATOM 1585 O VAL A 116 -2.138 5.908 14.584 1.00 22.21 O ATOM 1586 CB VAL A 116 -0.055 5.026 12.434 1.00 63.31 C ATOM 1587 CG1 VAL A 116 0.984 4.229 13.222 1.00 11.35 C ATOM 1588 CG2 VAL A 116 0.242 4.973 10.938 1.00 25.41 C ATOM 0 H VAL A 116 -2.400 6.184 11.829 1.00 22.32 H new ATOM 0 HA VAL A 116 -1.531 3.444 12.526 1.00 2.13 H new ATOM 0 HB VAL A 116 0.005 6.064 12.761 1.00 63.31 H new ATOM 0 HG11 VAL A 116 1.981 4.610 12.999 1.00 11.35 H new ATOM 0 HG12 VAL A 116 0.787 4.330 14.289 1.00 11.35 H new ATOM 0 HG13 VAL A 116 0.927 3.178 12.940 1.00 11.35 H new ATOM 0 HG21 VAL A 116 1.254 5.335 10.755 1.00 25.41 H new ATOM 0 HG22 VAL A 116 0.156 3.945 10.586 1.00 25.41 H new ATOM 0 HG23 VAL A 116 -0.471 5.601 10.403 1.00 25.41 H new ATOM 1598 N ASN A 117 -1.784 3.735 15.028 1.00 71.03 N ATOM 1599 CA ASN A 117 -2.172 3.849 16.444 1.00 44.41 C ATOM 1600 C ASN A 117 -0.967 4.110 17.359 1.00 71.41 C ATOM 1601 O ASN A 117 0.179 3.861 16.987 1.00 70.40 O ATOM 1602 CB ASN A 117 -2.895 2.575 16.891 1.00 20.35 C ATOM 1603 CG ASN A 117 -4.237 2.412 16.203 1.00 22.45 C ATOM 1604 OD1 ASN A 117 -5.260 2.862 16.701 1.00 51.55 O ATOM 1605 ND2 ASN A 117 -4.244 1.776 15.051 1.00 73.33 N ATOM 0 H ASN A 117 -1.479 2.802 14.749 1.00 71.03 H new ATOM 0 HA ASN A 117 -2.840 4.706 16.529 1.00 44.41 H new ATOM 0 HB2 ASN A 117 -2.270 1.709 16.676 1.00 20.35 H new ATOM 0 HB3 ASN A 117 -3.042 2.601 17.971 1.00 20.35 H new ATOM 0 HD21 ASN A 117 -5.120 1.646 14.546 1.00 73.33 H new ATOM 0 HD22 ASN A 117 -3.373 1.413 14.664 1.00 73.33 H new ATOM 1612 N SER A 118 -1.243 4.613 18.565 1.00 13.43 N ATOM 1613 CA SER A 118 -0.202 4.843 19.585 1.00 15.14 C ATOM 1614 C SER A 118 0.487 3.532 19.988 1.00 10.20 C ATOM 1615 O SER A 118 1.609 3.532 20.495 1.00 23.42 O ATOM 1616 CB SER A 118 -0.811 5.505 20.828 1.00 54.23 C ATOM 1617 OG SER A 118 0.157 5.697 21.846 1.00 62.44 O ATOM 0 H SER A 118 -2.183 4.872 18.866 1.00 13.43 H new ATOM 0 HA SER A 118 0.546 5.505 19.149 1.00 15.14 H new ATOM 0 HB2 SER A 118 -1.245 6.466 20.553 1.00 54.23 H new ATOM 0 HB3 SER A 118 -1.623 4.886 21.210 1.00 54.23 H new ATOM 0 HG SER A 118 -0.264 6.122 22.622 1.00 62.44 H new ATOM 1623 N ASP A 119 -0.204 2.417 19.763 1.00 31.01 N ATOM 1624 CA ASP A 119 0.349 1.084 20.013 1.00 65.42 C ATOM 1625 C ASP A 119 1.497 0.758 19.036 1.00 42.42 C ATOM 1626 O ASP A 119 2.262 -0.181 19.250 1.00 63.33 O ATOM 1627 CB ASP A 119 -0.758 0.033 19.858 1.00 54.35 C ATOM 1628 CG ASP A 119 -2.028 0.411 20.596 1.00 70.14 C ATOM 1629 OD1 ASP A 119 -2.880 1.104 20.000 1.00 13.40 O ATOM 1630 OD2 ASP A 119 -2.184 0.017 21.770 1.00 60.43 O ATOM 0 H ASP A 119 -1.159 2.409 19.404 1.00 31.01 H new ATOM 0 HA ASP A 119 0.747 1.069 21.028 1.00 65.42 H new ATOM 0 HB2 ASP A 119 -0.983 -0.099 18.800 1.00 54.35 H new ATOM 0 HB3 ASP A 119 -0.398 -0.926 20.230 1.00 54.35 H new ATOM 1635 N GLY A 120 1.599 1.536 17.959 1.00 44.32 N ATOM 1636 CA GLY A 120 2.540 1.231 16.885 1.00 23.13 C ATOM 1637 C GLY A 120 1.892 0.412 15.771 1.00 12.13 C ATOM 1638 O GLY A 120 2.446 0.277 14.676 1.00 71.10 O ATOM 0 H GLY A 120 1.044 2.378 17.808 1.00 44.32 H new ATOM 0 HA2 GLY A 120 2.931 2.160 16.471 1.00 23.13 H new ATOM 0 HA3 GLY A 120 3.389 0.681 17.292 1.00 23.13 H new ATOM 1642 N SER A 121 0.708 -0.128 16.061 1.00 44.24 N ATOM 1643 CA SER A 121 -0.043 -0.955 15.107 1.00 12.42 C ATOM 1644 C SER A 121 -0.638 -0.116 13.966 1.00 41.41 C ATOM 1645 O SER A 121 -1.118 1.004 14.177 1.00 74.43 O ATOM 1646 CB SER A 121 -1.167 -1.702 15.835 1.00 64.31 C ATOM 1647 OG SER A 121 -0.657 -2.459 16.920 1.00 12.33 O ATOM 0 H SER A 121 0.241 -0.007 16.960 1.00 44.24 H new ATOM 0 HA SER A 121 0.656 -1.668 14.670 1.00 12.42 H new ATOM 0 HB2 SER A 121 -1.905 -0.988 16.201 1.00 64.31 H new ATOM 0 HB3 SER A 121 -1.681 -2.362 15.137 1.00 64.31 H new ATOM 0 HG SER A 121 -1.393 -2.924 17.369 1.00 12.33 H new ATOM 1653 N VAL A 122 -0.617 -0.678 12.761 1.00 72.13 N ATOM 1654 CA VAL A 122 -1.093 0.017 11.558 1.00 34.34 C ATOM 1655 C VAL A 122 -2.450 -0.531 11.074 1.00 43.14 C ATOM 1656 O VAL A 122 -2.617 -1.737 10.893 1.00 14.10 O ATOM 1657 CB VAL A 122 -0.054 -0.105 10.413 1.00 14.32 C ATOM 1658 CG1 VAL A 122 -0.537 0.605 9.148 1.00 10.03 C ATOM 1659 CG2 VAL A 122 1.304 0.436 10.858 1.00 5.44 C ATOM 0 H VAL A 122 -0.273 -1.622 12.586 1.00 72.13 H new ATOM 0 HA VAL A 122 -1.224 1.065 11.827 1.00 34.34 H new ATOM 0 HB VAL A 122 0.060 -1.162 10.175 1.00 14.32 H new ATOM 0 HG11 VAL A 122 0.213 0.502 8.364 1.00 10.03 H new ATOM 0 HG12 VAL A 122 -1.474 0.158 8.815 1.00 10.03 H new ATOM 0 HG13 VAL A 122 -0.695 1.662 9.362 1.00 10.03 H new ATOM 0 HG21 VAL A 122 2.019 0.341 10.041 1.00 5.44 H new ATOM 0 HG22 VAL A 122 1.205 1.486 11.134 1.00 5.44 H new ATOM 0 HG23 VAL A 122 1.658 -0.133 11.718 1.00 5.44 H new ATOM 1669 N GLU A 123 -3.414 0.365 10.864 1.00 61.40 N ATOM 1670 CA GLU A 123 -4.731 -0.022 10.342 1.00 42.44 C ATOM 1671 C GLU A 123 -4.783 0.104 8.815 1.00 25.23 C ATOM 1672 O GLU A 123 -4.646 1.201 8.263 1.00 23.35 O ATOM 1673 CB GLU A 123 -5.837 0.837 10.968 1.00 12.00 C ATOM 1674 CG GLU A 123 -6.021 0.606 12.460 1.00 73.11 C ATOM 1675 CD GLU A 123 -7.136 1.454 13.043 1.00 3.22 C ATOM 1676 OE1 GLU A 123 -8.316 1.086 12.878 1.00 2.22 O ATOM 1677 OE2 GLU A 123 -6.836 2.500 13.661 1.00 21.22 O ATOM 0 H GLU A 123 -3.311 1.363 11.046 1.00 61.40 H new ATOM 0 HA GLU A 123 -4.894 -1.066 10.610 1.00 42.44 H new ATOM 0 HB2 GLU A 123 -5.608 1.889 10.798 1.00 12.00 H new ATOM 0 HB3 GLU A 123 -6.778 0.629 10.459 1.00 12.00 H new ATOM 0 HG2 GLU A 123 -6.238 -0.447 12.638 1.00 73.11 H new ATOM 0 HG3 GLU A 123 -5.088 0.831 12.978 1.00 73.11 H new ATOM 1684 N VAL A 124 -4.990 -1.024 8.142 1.00 33.41 N ATOM 1685 CA VAL A 124 -5.056 -1.059 6.678 1.00 71.31 C ATOM 1686 C VAL A 124 -6.474 -1.367 6.181 1.00 62.43 C ATOM 1687 O VAL A 124 -7.234 -2.089 6.830 1.00 4.34 O ATOM 1688 CB VAL A 124 -4.074 -2.112 6.102 1.00 34.41 C ATOM 1689 CG1 VAL A 124 -2.637 -1.766 6.488 1.00 32.25 C ATOM 1690 CG2 VAL A 124 -4.440 -3.523 6.573 1.00 62.40 C ATOM 0 H VAL A 124 -5.116 -1.933 8.587 1.00 33.41 H new ATOM 0 HA VAL A 124 -4.771 -0.067 6.327 1.00 71.31 H new ATOM 0 HB VAL A 124 -4.154 -2.094 5.015 1.00 34.41 H new ATOM 0 HG11 VAL A 124 -1.960 -2.514 6.076 1.00 32.25 H new ATOM 0 HG12 VAL A 124 -2.379 -0.785 6.089 1.00 32.25 H new ATOM 0 HG13 VAL A 124 -2.545 -1.752 7.574 1.00 32.25 H new ATOM 0 HG21 VAL A 124 -3.735 -4.241 6.154 1.00 62.40 H new ATOM 0 HG22 VAL A 124 -4.398 -3.566 7.661 1.00 62.40 H new ATOM 0 HG23 VAL A 124 -5.448 -3.768 6.239 1.00 62.40 H new ATOM 1700 N SER A 125 -6.827 -0.803 5.030 1.00 1.31 N ATOM 1701 CA SER A 125 -8.120 -1.071 4.396 1.00 35.12 C ATOM 1702 C SER A 125 -7.956 -2.081 3.252 1.00 65.43 C ATOM 1703 O SER A 125 -7.145 -1.881 2.346 1.00 72.21 O ATOM 1704 CB SER A 125 -8.732 0.234 3.870 1.00 33.24 C ATOM 1705 OG SER A 125 -7.924 0.821 2.861 1.00 45.34 O ATOM 0 H SER A 125 -6.234 -0.154 4.513 1.00 1.31 H new ATOM 0 HA SER A 125 -8.792 -1.498 5.141 1.00 35.12 H new ATOM 0 HB2 SER A 125 -9.726 0.035 3.471 1.00 33.24 H new ATOM 0 HB3 SER A 125 -8.854 0.937 4.694 1.00 33.24 H new ATOM 0 HG SER A 125 -8.409 0.816 2.010 1.00 45.34 H new ATOM 1711 N GLU A 126 -8.718 -3.177 3.301 1.00 73.22 N ATOM 1712 CA GLU A 126 -8.582 -4.262 2.315 1.00 14.15 C ATOM 1713 C GLU A 126 -9.940 -4.705 1.736 1.00 31.22 C ATOM 1714 O GLU A 126 -10.992 -4.173 2.090 1.00 34.31 O ATOM 1715 CB GLU A 126 -7.885 -5.470 2.959 1.00 54.12 C ATOM 1716 CG GLU A 126 -6.514 -5.154 3.546 1.00 3.41 C ATOM 1717 CD GLU A 126 -5.855 -6.367 4.175 1.00 23.33 C ATOM 1718 OE1 GLU A 126 -6.142 -6.664 5.349 1.00 52.03 O ATOM 1719 OE2 GLU A 126 -5.063 -7.047 3.485 1.00 73.01 O ATOM 0 H GLU A 126 -9.434 -3.340 4.009 1.00 73.22 H new ATOM 0 HA GLU A 126 -7.982 -3.873 1.492 1.00 14.15 H new ATOM 0 HB2 GLU A 126 -8.524 -5.867 3.748 1.00 54.12 H new ATOM 0 HB3 GLU A 126 -7.776 -6.255 2.211 1.00 54.12 H new ATOM 0 HG2 GLU A 126 -5.868 -4.761 2.761 1.00 3.41 H new ATOM 0 HG3 GLU A 126 -6.616 -4.370 4.297 1.00 3.41 H new ATOM 1726 N MET A 127 -9.897 -5.691 0.839 1.00 3.33 N ATOM 1727 CA MET A 127 -11.107 -6.244 0.220 1.00 45.31 C ATOM 1728 C MET A 127 -11.029 -7.777 0.142 1.00 11.34 C ATOM 1729 O MET A 127 -10.141 -8.332 -0.511 1.00 24.43 O ATOM 1730 CB MET A 127 -11.298 -5.649 -1.182 1.00 74.41 C ATOM 1731 CG MET A 127 -12.510 -6.192 -1.930 1.00 55.15 C ATOM 1732 SD MET A 127 -12.777 -5.359 -3.506 1.00 24.15 S ATOM 1733 CE MET A 127 -13.065 -3.683 -2.946 1.00 40.12 C ATOM 0 H MET A 127 -9.031 -6.127 0.522 1.00 3.33 H new ATOM 0 HA MET A 127 -11.964 -5.978 0.839 1.00 45.31 H new ATOM 0 HB2 MET A 127 -11.393 -4.567 -1.095 1.00 74.41 H new ATOM 0 HB3 MET A 127 -10.403 -5.844 -1.773 1.00 74.41 H new ATOM 0 HG2 MET A 127 -12.377 -7.260 -2.105 1.00 55.15 H new ATOM 0 HG3 MET A 127 -13.398 -6.079 -1.308 1.00 55.15 H new ATOM 0 HE1 MET A 127 -13.553 -3.114 -3.737 1.00 40.12 H new ATOM 0 HE2 MET A 127 -13.705 -3.699 -2.064 1.00 40.12 H new ATOM 0 HE3 MET A 127 -12.113 -3.214 -2.696 1.00 40.12 H new ATOM 1878 N GLU A 138 -11.544 -3.360 7.210 1.00 1.11 N ATOM 1879 CA GLU A 138 -10.284 -2.889 7.806 1.00 52.31 C ATOM 1880 C GLU A 138 -9.631 -3.961 8.699 1.00 3.13 C ATOM 1881 O GLU A 138 -10.305 -4.855 9.222 1.00 32.30 O ATOM 1882 CB GLU A 138 -10.520 -1.613 8.639 1.00 64.11 C ATOM 1883 CG GLU A 138 -11.178 -0.459 7.876 1.00 25.20 C ATOM 1884 CD GLU A 138 -12.656 -0.691 7.587 1.00 0.14 C ATOM 1885 OE1 GLU A 138 -13.466 -0.633 8.536 1.00 73.15 O ATOM 1886 OE2 GLU A 138 -13.017 -0.946 6.420 1.00 2.33 O ATOM 0 HA GLU A 138 -9.607 -2.671 6.980 1.00 52.31 H new ATOM 0 HB2 GLU A 138 -11.144 -1.866 9.496 1.00 64.11 H new ATOM 0 HB3 GLU A 138 -9.563 -1.271 9.032 1.00 64.11 H new ATOM 0 HG2 GLU A 138 -11.068 0.459 8.454 1.00 25.20 H new ATOM 0 HG3 GLU A 138 -10.650 -0.308 6.934 1.00 25.20 H new ATOM 1893 N ARG A 139 -8.315 -3.863 8.874 1.00 73.44 N ATOM 1894 CA ARG A 139 -7.579 -4.759 9.776 1.00 12.25 C ATOM 1895 C ARG A 139 -6.430 -4.028 10.481 1.00 55.20 C ATOM 1896 O ARG A 139 -5.684 -3.271 9.859 1.00 34.35 O ATOM 1897 CB ARG A 139 -7.040 -5.987 9.017 1.00 71.40 C ATOM 1898 CG ARG A 139 -7.681 -7.299 9.460 1.00 34.31 C ATOM 1899 CD ARG A 139 -7.118 -8.496 8.702 1.00 31.42 C ATOM 1900 NE ARG A 139 -7.225 -8.319 7.258 1.00 44.44 N ATOM 1901 CZ ARG A 139 -7.760 -9.178 6.437 1.00 1.04 C ATOM 1902 NH1 ARG A 139 -8.236 -10.306 6.857 1.00 4.20 N ATOM 1903 NH2 ARG A 139 -7.799 -8.911 5.180 1.00 61.53 N ATOM 0 H ARG A 139 -7.731 -3.171 8.404 1.00 73.44 H new ATOM 0 HA ARG A 139 -8.282 -5.100 10.536 1.00 12.25 H new ATOM 0 HB2 ARG A 139 -7.211 -5.849 7.949 1.00 71.40 H new ATOM 0 HB3 ARG A 139 -5.962 -6.050 9.162 1.00 71.40 H new ATOM 0 HG2 ARG A 139 -7.519 -7.438 10.529 1.00 34.31 H new ATOM 0 HG3 ARG A 139 -8.759 -7.246 9.305 1.00 34.31 H new ATOM 0 HD2 ARG A 139 -6.073 -8.640 8.974 1.00 31.42 H new ATOM 0 HD3 ARG A 139 -7.652 -9.399 8.999 1.00 31.42 H new ATOM 0 HE ARG A 139 -6.852 -7.457 6.860 1.00 44.44 H new ATOM 0 HH11 ARG A 139 -8.197 -10.538 7.849 1.00 4.20 H new ATOM 0 HH12 ARG A 139 -8.650 -10.963 6.196 1.00 4.20 H new ATOM 0 HH21 ARG A 139 -7.413 -8.033 4.833 1.00 61.53 H new ATOM 0 HH22 ARG A 139 -8.216 -9.577 4.530 1.00 61.53 H new ATOM 1917 N THR A 140 -6.293 -4.265 11.784 1.00 71.22 N ATOM 1918 CA THR A 140 -5.228 -3.647 12.576 1.00 52.53 C ATOM 1919 C THR A 140 -4.011 -4.577 12.687 1.00 43.13 C ATOM 1920 O THR A 140 -3.995 -5.511 13.492 1.00 61.55 O ATOM 1921 CB THR A 140 -5.721 -3.275 13.999 1.00 44.44 C ATOM 1922 OG1 THR A 140 -6.883 -2.428 13.922 1.00 15.34 O ATOM 1923 CG2 THR A 140 -4.631 -2.561 14.796 1.00 41.23 C ATOM 0 H THR A 140 -6.907 -4.882 12.316 1.00 71.22 H new ATOM 0 HA THR A 140 -4.935 -2.735 12.056 1.00 52.53 H new ATOM 0 HB THR A 140 -5.976 -4.203 14.510 1.00 44.44 H new ATOM 0 HG1 THR A 140 -7.184 -2.203 14.827 1.00 15.34 H new ATOM 0 HG21 THR A 140 -5.008 -2.314 15.788 1.00 41.23 H new ATOM 0 HG22 THR A 140 -3.763 -3.213 14.890 1.00 41.23 H new ATOM 0 HG23 THR A 140 -4.343 -1.646 14.279 1.00 41.23 H new ATOM 1931 N ILE A 141 -2.998 -4.322 11.866 1.00 31.41 N ATOM 1932 CA ILE A 141 -1.777 -5.135 11.854 1.00 62.40 C ATOM 1933 C ILE A 141 -0.775 -4.654 12.918 1.00 43.13 C ATOM 1934 O ILE A 141 -0.528 -3.454 13.049 1.00 4.10 O ATOM 1935 CB ILE A 141 -1.099 -5.092 10.459 1.00 53.34 C ATOM 1936 CG1 ILE A 141 -2.092 -5.530 9.367 1.00 60.51 C ATOM 1937 CG2 ILE A 141 0.149 -5.977 10.435 1.00 35.41 C ATOM 1938 CD1 ILE A 141 -1.516 -5.508 7.965 1.00 44.25 C ATOM 0 H ILE A 141 -2.994 -3.554 11.194 1.00 31.41 H new ATOM 0 HA ILE A 141 -2.070 -6.160 12.082 1.00 62.40 H new ATOM 0 HB ILE A 141 -0.792 -4.066 10.258 1.00 53.34 H new ATOM 0 HG12 ILE A 141 -2.440 -6.539 9.590 1.00 60.51 H new ATOM 0 HG13 ILE A 141 -2.964 -4.877 9.401 1.00 60.51 H new ATOM 0 HG21 ILE A 141 0.608 -5.932 9.447 1.00 35.41 H new ATOM 0 HG22 ILE A 141 0.860 -5.624 11.182 1.00 35.41 H new ATOM 0 HG23 ILE A 141 -0.131 -7.007 10.658 1.00 35.41 H new ATOM 0 HD11 ILE A 141 -2.277 -5.829 7.254 1.00 44.25 H new ATOM 0 HD12 ILE A 141 -1.194 -4.496 7.720 1.00 44.25 H new ATOM 0 HD13 ILE A 141 -0.662 -6.183 7.912 1.00 44.25 H new ATOM 1950 N SER A 142 -0.199 -5.590 13.672 1.00 43.44 N ATOM 1951 CA SER A 142 0.788 -5.255 14.712 1.00 3.30 C ATOM 1952 C SER A 142 2.084 -4.696 14.102 1.00 55.24 C ATOM 1953 O SER A 142 2.478 -5.079 12.998 1.00 44.40 O ATOM 1954 CB SER A 142 1.117 -6.491 15.562 1.00 33.14 C ATOM 1955 OG SER A 142 -0.036 -6.992 16.231 1.00 61.22 O ATOM 0 H SER A 142 -0.395 -6.587 13.586 1.00 43.44 H new ATOM 0 HA SER A 142 0.343 -4.486 15.344 1.00 3.30 H new ATOM 0 HB2 SER A 142 1.535 -7.270 14.925 1.00 33.14 H new ATOM 0 HB3 SER A 142 1.881 -6.235 16.296 1.00 33.14 H new ATOM 0 HG SER A 142 0.209 -7.779 16.761 1.00 61.22 H new ATOM 1961 N ALA A 143 2.755 -3.813 14.842 1.00 61.31 N ATOM 1962 CA ALA A 143 3.972 -3.140 14.361 1.00 61.13 C ATOM 1963 C ALA A 143 5.034 -4.131 13.854 1.00 43.45 C ATOM 1964 O ALA A 143 5.641 -3.916 12.803 1.00 55.10 O ATOM 1965 CB ALA A 143 4.556 -2.265 15.465 1.00 40.14 C ATOM 0 H ALA A 143 2.477 -3.542 15.785 1.00 61.31 H new ATOM 0 HA ALA A 143 3.682 -2.520 13.513 1.00 61.13 H new ATOM 0 HB1 ALA A 143 5.456 -1.771 15.100 1.00 40.14 H new ATOM 0 HB2 ALA A 143 3.824 -1.513 15.759 1.00 40.14 H new ATOM 0 HB3 ALA A 143 4.806 -2.884 16.326 1.00 40.14 H new ATOM 1971 N GLY A 144 5.246 -5.211 14.600 1.00 23.01 N ATOM 1972 CA GLY A 144 6.230 -6.222 14.215 1.00 54.24 C ATOM 1973 C GLY A 144 5.979 -6.824 12.831 1.00 32.11 C ATOM 1974 O GLY A 144 6.921 -7.092 12.077 1.00 44.51 O ATOM 0 H GLY A 144 4.753 -5.410 15.471 1.00 23.01 H new ATOM 0 HA2 GLY A 144 7.224 -5.775 14.233 1.00 54.24 H new ATOM 0 HA3 GLY A 144 6.226 -7.021 14.956 1.00 54.24 H new ATOM 1978 N GLU A 145 4.712 -7.043 12.495 1.00 0.12 N ATOM 1979 CA GLU A 145 4.336 -7.601 11.190 1.00 40.01 C ATOM 1980 C GLU A 145 4.276 -6.500 10.113 1.00 63.00 C ATOM 1981 O GLU A 145 4.713 -6.699 8.979 1.00 33.23 O ATOM 1982 CB GLU A 145 2.976 -8.309 11.306 1.00 35.22 C ATOM 1983 CG GLU A 145 2.481 -8.975 10.021 1.00 52.20 C ATOM 1984 CD GLU A 145 3.297 -10.195 9.606 1.00 54.20 C ATOM 1985 OE1 GLU A 145 3.455 -11.118 10.430 1.00 53.22 O ATOM 1986 OE2 GLU A 145 3.779 -10.239 8.454 1.00 73.21 O ATOM 0 H GLU A 145 3.921 -6.843 13.108 1.00 0.12 H new ATOM 0 HA GLU A 145 5.095 -8.322 10.888 1.00 40.01 H new ATOM 0 HB2 GLU A 145 3.043 -9.066 12.087 1.00 35.22 H new ATOM 0 HB3 GLU A 145 2.232 -7.582 11.630 1.00 35.22 H new ATOM 0 HG2 GLU A 145 1.441 -9.273 10.155 1.00 52.20 H new ATOM 0 HG3 GLU A 145 2.501 -8.244 9.213 1.00 52.20 H new ATOM 1993 N ALA A 146 3.764 -5.332 10.496 1.00 44.34 N ATOM 1994 CA ALA A 146 3.551 -4.218 9.561 1.00 13.13 C ATOM 1995 C ALA A 146 4.867 -3.581 9.083 1.00 20.02 C ATOM 1996 O ALA A 146 5.034 -3.304 7.895 1.00 51.24 O ATOM 1997 CB ALA A 146 2.667 -3.158 10.211 1.00 63.41 C ATOM 0 H ALA A 146 3.485 -5.127 11.456 1.00 44.34 H new ATOM 0 HA ALA A 146 3.058 -4.629 8.680 1.00 13.13 H new ATOM 0 HB1 ALA A 146 2.513 -2.335 9.513 1.00 63.41 H new ATOM 0 HB2 ALA A 146 1.704 -3.597 10.472 1.00 63.41 H new ATOM 0 HB3 ALA A 146 3.151 -2.783 11.113 1.00 63.41 H new ATOM 2003 N SER A 147 5.810 -3.386 10.001 1.00 33.23 N ATOM 2004 CA SER A 147 7.040 -2.627 9.708 1.00 73.03 C ATOM 2005 C SER A 147 7.929 -3.347 8.689 1.00 20.13 C ATOM 2006 O SER A 147 8.859 -2.760 8.134 1.00 12.14 O ATOM 2007 CB SER A 147 7.839 -2.379 10.993 1.00 45.24 C ATOM 2008 OG SER A 147 7.081 -1.641 11.943 1.00 23.42 O ATOM 0 H SER A 147 5.753 -3.740 10.956 1.00 33.23 H new ATOM 0 HA SER A 147 6.731 -1.674 9.278 1.00 73.03 H new ATOM 0 HB2 SER A 147 8.138 -3.333 11.427 1.00 45.24 H new ATOM 0 HB3 SER A 147 8.754 -1.836 10.755 1.00 45.24 H new ATOM 0 HG SER A 147 6.473 -2.246 12.418 1.00 23.42 H new ATOM 2014 N SER A 148 7.645 -4.622 8.454 1.00 44.21 N ATOM 2015 CA SER A 148 8.409 -5.422 7.491 1.00 52.21 C ATOM 2016 C SER A 148 7.874 -5.246 6.060 1.00 25.40 C ATOM 2017 O SER A 148 8.503 -5.682 5.094 1.00 42.53 O ATOM 2018 CB SER A 148 8.363 -6.901 7.886 1.00 10.34 C ATOM 2019 OG SER A 148 8.939 -7.114 9.167 1.00 61.13 O ATOM 0 H SER A 148 6.890 -5.130 8.916 1.00 44.21 H new ATOM 0 HA SER A 148 9.441 -5.071 7.509 1.00 52.21 H new ATOM 0 HB2 SER A 148 7.329 -7.246 7.888 1.00 10.34 H new ATOM 0 HB3 SER A 148 8.896 -7.494 7.143 1.00 10.34 H new ATOM 0 HG SER A 148 8.893 -8.067 9.392 1.00 61.13 H new ATOM 2025 N TYR A 149 6.711 -4.611 5.933 1.00 31.34 N ATOM 2026 CA TYR A 149 6.106 -4.350 4.622 1.00 21.24 C ATOM 2027 C TYR A 149 6.686 -3.073 3.986 1.00 61.24 C ATOM 2028 O TYR A 149 7.111 -2.154 4.687 1.00 24.24 O ATOM 2029 CB TYR A 149 4.581 -4.219 4.755 1.00 20.25 C ATOM 2030 CG TYR A 149 3.887 -5.459 5.302 1.00 24.01 C ATOM 2031 CD1 TYR A 149 4.190 -6.729 4.817 1.00 62.22 C ATOM 2032 CD2 TYR A 149 2.918 -5.357 6.294 1.00 3.45 C ATOM 2033 CE1 TYR A 149 3.545 -7.852 5.302 1.00 44.42 C ATOM 2034 CE2 TYR A 149 2.272 -6.475 6.784 1.00 23.34 C ATOM 2035 CZ TYR A 149 2.589 -7.720 6.287 1.00 2.33 C ATOM 2036 OH TYR A 149 1.941 -8.835 6.772 1.00 72.14 O ATOM 0 H TYR A 149 6.165 -4.266 6.722 1.00 31.34 H new ATOM 0 HA TYR A 149 6.339 -5.194 3.972 1.00 21.24 H new ATOM 0 HB2 TYR A 149 4.357 -3.375 5.407 1.00 20.25 H new ATOM 0 HB3 TYR A 149 4.162 -3.985 3.776 1.00 20.25 H new ATOM 0 HD1 TYR A 149 4.941 -6.839 4.049 1.00 62.22 H new ATOM 0 HD2 TYR A 149 2.666 -4.384 6.689 1.00 3.45 H new ATOM 0 HE1 TYR A 149 3.789 -8.829 4.911 1.00 44.42 H new ATOM 0 HE2 TYR A 149 1.521 -6.374 7.554 1.00 23.34 H new ATOM 0 HH TYR A 149 2.562 -9.364 7.314 1.00 72.14 H new ATOM 2046 N ASN A 150 6.697 -3.023 2.654 1.00 51.31 N ATOM 2047 CA ASN A 150 7.228 -1.865 1.919 1.00 35.54 C ATOM 2048 C ASN A 150 6.136 -0.811 1.671 1.00 2.22 C ATOM 2049 O ASN A 150 5.194 -1.054 0.918 1.00 4.30 O ATOM 2050 CB ASN A 150 7.823 -2.320 0.580 1.00 43.22 C ATOM 2051 CG ASN A 150 8.975 -3.294 0.755 1.00 0.24 C ATOM 2052 OD1 ASN A 150 9.707 -3.240 1.737 1.00 55.44 O ATOM 2053 ND2 ASN A 150 9.143 -4.196 -0.191 1.00 43.32 N ATOM 0 H ASN A 150 6.344 -3.771 2.057 1.00 51.31 H new ATOM 0 HA ASN A 150 8.008 -1.410 2.529 1.00 35.54 H new ATOM 0 HB2 ASN A 150 7.043 -2.789 -0.020 1.00 43.22 H new ATOM 0 HB3 ASN A 150 8.170 -1.448 0.026 1.00 43.22 H new ATOM 0 HD21 ASN A 150 9.900 -4.876 -0.119 1.00 43.32 H new ATOM 0 HD22 ASN A 150 8.516 -4.214 -0.996 1.00 43.32 H new ATOM 2060 N TYR A 151 6.268 0.355 2.302 1.00 34.14 N ATOM 2061 CA TYR A 151 5.280 1.435 2.158 1.00 51.23 C ATOM 2062 C TYR A 151 5.658 2.403 1.021 1.00 2.21 C ATOM 2063 O TYR A 151 6.695 3.070 1.075 1.00 41.14 O ATOM 2064 CB TYR A 151 5.141 2.222 3.472 1.00 13.24 C ATOM 2065 CG TYR A 151 4.666 1.392 4.653 1.00 4.30 C ATOM 2066 CD1 TYR A 151 5.568 0.677 5.433 1.00 41.33 C ATOM 2067 CD2 TYR A 151 3.318 1.326 4.984 1.00 25.42 C ATOM 2068 CE1 TYR A 151 5.140 -0.079 6.508 1.00 11.23 C ATOM 2069 CE2 TYR A 151 2.885 0.573 6.059 1.00 60.14 C ATOM 2070 CZ TYR A 151 3.797 -0.128 6.815 1.00 32.24 C ATOM 2071 OH TYR A 151 3.363 -0.878 7.884 1.00 13.41 O ATOM 0 H TYR A 151 7.048 0.581 2.919 1.00 34.14 H new ATOM 0 HA TYR A 151 4.327 0.967 1.911 1.00 51.23 H new ATOM 0 HB2 TYR A 151 6.105 2.666 3.720 1.00 13.24 H new ATOM 0 HB3 TYR A 151 4.442 3.044 3.317 1.00 13.24 H new ATOM 0 HD1 TYR A 151 6.621 0.713 5.195 1.00 41.33 H new ATOM 0 HD2 TYR A 151 2.598 1.871 4.392 1.00 25.42 H new ATOM 0 HE1 TYR A 151 5.854 -0.628 7.104 1.00 11.23 H new ATOM 0 HE2 TYR A 151 1.834 0.535 6.305 1.00 60.14 H new ATOM 0 HH TYR A 151 3.783 -1.763 7.855 1.00 13.41 H new ATOM 2081 N ILE A 152 4.807 2.482 0.000 1.00 52.02 N ATOM 2082 CA ILE A 152 5.007 3.418 -1.113 1.00 23.31 C ATOM 2083 C ILE A 152 4.441 4.810 -0.773 1.00 63.32 C ATOM 2084 O ILE A 152 3.312 4.936 -0.295 1.00 43.43 O ATOM 2085 CB ILE A 152 4.344 2.912 -2.430 1.00 1.01 C ATOM 2086 CG1 ILE A 152 4.961 1.577 -2.894 1.00 22.41 C ATOM 2087 CG2 ILE A 152 4.465 3.963 -3.535 1.00 53.10 C ATOM 2088 CD1 ILE A 152 4.497 0.370 -2.109 1.00 14.32 C ATOM 0 H ILE A 152 3.968 1.908 -0.083 1.00 52.02 H new ATOM 0 HA ILE A 152 6.084 3.486 -1.268 1.00 23.31 H new ATOM 0 HB ILE A 152 3.288 2.742 -2.222 1.00 1.01 H new ATOM 0 HG12 ILE A 152 4.721 1.426 -3.946 1.00 22.41 H new ATOM 0 HG13 ILE A 152 6.046 1.647 -2.822 1.00 22.41 H new ATOM 0 HG21 ILE A 152 3.996 3.590 -4.445 1.00 53.10 H new ATOM 0 HG22 ILE A 152 3.968 4.880 -3.221 1.00 53.10 H new ATOM 0 HG23 ILE A 152 5.518 4.169 -3.728 1.00 53.10 H new ATOM 0 HD11 ILE A 152 4.979 -0.526 -2.500 1.00 14.32 H new ATOM 0 HD12 ILE A 152 4.762 0.495 -1.059 1.00 14.32 H new ATOM 0 HD13 ILE A 152 3.416 0.270 -2.201 1.00 14.32 H new ATOM 2100 N HIS A 153 5.239 5.849 -1.020 1.00 42.14 N ATOM 2101 CA HIS A 153 4.837 7.240 -0.762 1.00 21.51 C ATOM 2102 C HIS A 153 4.858 8.061 -2.062 1.00 73.41 C ATOM 2103 O HIS A 153 5.686 7.819 -2.947 1.00 10.43 O ATOM 2104 CB HIS A 153 5.772 7.882 0.276 1.00 64.30 C ATOM 2105 CG HIS A 153 5.779 7.179 1.604 1.00 52.22 C ATOM 2106 ND1 HIS A 153 5.329 7.760 2.771 1.00 60.12 N ATOM 2107 CD2 HIS A 153 6.195 5.936 1.946 1.00 40.25 C ATOM 2108 CE1 HIS A 153 5.463 6.907 3.769 1.00 20.33 C ATOM 2109 NE2 HIS A 153 5.982 5.790 3.300 1.00 53.30 N ATOM 0 H HIS A 153 6.180 5.755 -1.403 1.00 42.14 H new ATOM 0 HA HIS A 153 3.820 7.234 -0.369 1.00 21.51 H new ATOM 0 HB2 HIS A 153 6.787 7.896 -0.122 1.00 64.30 H new ATOM 0 HB3 HIS A 153 5.474 8.920 0.426 1.00 64.30 H new ATOM 0 HD2 HIS A 153 6.616 5.196 1.281 1.00 40.25 H new ATOM 0 HE1 HIS A 153 5.193 7.093 4.798 1.00 20.33 H new ATOM 0 HE2 HIS A 153 6.191 4.956 3.848 1.00 53.30 H new ATOM 2118 N LEU A 154 3.958 9.035 -2.165 1.00 3.02 N ATOM 2119 CA LEU A 154 3.791 9.817 -3.399 1.00 5.04 C ATOM 2120 C LEU A 154 4.459 11.202 -3.320 1.00 14.25 C ATOM 2121 O LEU A 154 4.330 11.915 -2.321 1.00 12.54 O ATOM 2122 CB LEU A 154 2.297 10.015 -3.692 1.00 3.34 C ATOM 2123 CG LEU A 154 1.431 8.744 -3.657 1.00 33.13 C ATOM 2124 CD1 LEU A 154 -0.028 9.084 -3.938 1.00 43.12 C ATOM 2125 CD2 LEU A 154 1.943 7.705 -4.651 1.00 44.22 C ATOM 0 H LEU A 154 3.329 9.307 -1.410 1.00 3.02 H new ATOM 0 HA LEU A 154 4.275 9.252 -4.195 1.00 5.04 H new ATOM 0 HB2 LEU A 154 1.896 10.725 -2.969 1.00 3.34 H new ATOM 0 HB3 LEU A 154 2.197 10.472 -4.676 1.00 3.34 H new ATOM 0 HG LEU A 154 1.500 8.315 -2.657 1.00 33.13 H new ATOM 0 HD11 LEU A 154 -0.626 8.173 -3.909 1.00 43.12 H new ATOM 0 HD12 LEU A 154 -0.391 9.781 -3.182 1.00 43.12 H new ATOM 0 HD13 LEU A 154 -0.112 9.542 -4.924 1.00 43.12 H new ATOM 0 HD21 LEU A 154 1.313 6.817 -4.606 1.00 44.22 H new ATOM 0 HD22 LEU A 154 1.913 8.120 -5.659 1.00 44.22 H new ATOM 0 HD23 LEU A 154 2.969 7.435 -4.400 1.00 44.22 H new