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 98 SER OG : rot -174:sc= 0.697 USER MOD Set 1.2: A 153 HIS : no HD1:sc= 1.1 K(o=1.8,f=-7.8!) USER MOD Set 2.1: A 57 CYS SG : rot -147:sc= 0.22 USER MOD Set 2.2: A 109 HIS : no HD1:sc= 0.395 K(o=0.61,f=-1.9) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 56 GLN : amide:sc= -0.525 K(o=-0.52,f=-4.6!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 130:sc= 0.392 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -105:sc= 0.301 (180deg=-0.486) USER MOD Single : A 68 ASN : amide:sc=-0.00337 K(o=-0.0034,f=-0.88) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -19:sc= 0.295 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.572 K(o=-0.57,f=-6.8!) USER MOD Single : A 78 ASN : amide:sc= 0.893 K(o=0.89,f=-0.53) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -2:sc= 0.204 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 0:sc= -0.143 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.93 K(o=-0.93,f=0) USER MOD Single : A 92 ASN : amide:sc= 0.387 X(o=0.39,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -1.76 K(o=-1.8,f=-2.5) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.815 USER MOD Single : A 115 ASN : amide:sc= 0.459 K(o=0.46,f=-0.28) USER MOD Single : A 117 ASN : amide:sc= -3.13! K(o=-3.1!,f=-0.22) 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 125 SER OG : rot -59:sc= 0.0385 USER MOD Single : A 127 MET CE :methyl 168:sc=-0.00541 (180deg=-0.189) USER MOD Single : A 140 THR OG1 : rot -110:sc= 0.0524 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 148 SER OG : rot -71:sc= 0.785 USER MOD Single : A 149 TYR OH : rot -177:sc= 0.853 USER MOD Single : A 150 ASN : amide:sc= 0.505 K(o=0.51,f=0) USER MOD Single : A 151 TYR OH : rot -7:sc= -1.88! USER MOD ----------------------------------------------------------------- ATOM 723 N THR A 53 -8.400 -5.125 -12.900 1.00 11.23 N ATOM 724 CA THR A 53 -9.645 -5.905 -12.938 1.00 54.23 C ATOM 725 C THR A 53 -10.046 -6.411 -11.543 1.00 13.32 C ATOM 726 O THR A 53 -9.207 -6.532 -10.643 1.00 65.24 O ATOM 727 CB THR A 53 -9.520 -7.118 -13.893 1.00 21.11 C ATOM 728 OG1 THR A 53 -10.787 -7.785 -14.011 1.00 4.24 O ATOM 729 CG2 THR A 53 -8.463 -8.110 -13.403 1.00 72.21 C ATOM 0 HA THR A 53 -10.418 -5.231 -13.305 1.00 54.23 H new ATOM 0 HB THR A 53 -9.210 -6.742 -14.868 1.00 21.11 H new ATOM 0 HG1 THR A 53 -10.699 -8.549 -14.618 1.00 4.24 H new ATOM 0 HG21 THR A 53 -8.402 -8.949 -14.097 1.00 72.21 H new ATOM 0 HG22 THR A 53 -7.495 -7.613 -13.349 1.00 72.21 H new ATOM 0 HG23 THR A 53 -8.739 -8.477 -12.414 1.00 72.21 H new ATOM 737 N ALA A 54 -11.334 -6.706 -11.372 1.00 71.54 N ATOM 738 CA ALA A 54 -11.852 -7.245 -10.112 1.00 21.42 C ATOM 739 C ALA A 54 -11.172 -8.572 -9.735 1.00 35.53 C ATOM 740 O ALA A 54 -10.756 -9.344 -10.603 1.00 30.53 O ATOM 741 CB ALA A 54 -13.362 -7.430 -10.206 1.00 32.42 C ATOM 0 H ALA A 54 -12.043 -6.580 -12.094 1.00 71.54 H new ATOM 0 HA ALA A 54 -11.625 -6.527 -9.324 1.00 21.42 H new ATOM 0 HB1 ALA A 54 -13.739 -7.831 -9.265 1.00 32.42 H new ATOM 0 HB2 ALA A 54 -13.835 -6.468 -10.406 1.00 32.42 H new ATOM 0 HB3 ALA A 54 -13.594 -8.123 -11.015 1.00 32.42 H new ATOM 747 N GLY A 55 -11.064 -8.837 -8.435 1.00 33.40 N ATOM 748 CA GLY A 55 -10.387 -10.045 -7.963 1.00 74.24 C ATOM 749 C GLY A 55 -8.928 -9.809 -7.585 1.00 44.32 C ATOM 750 O GLY A 55 -8.351 -10.565 -6.802 1.00 33.01 O ATOM 0 H GLY A 55 -11.432 -8.239 -7.695 1.00 33.40 H new ATOM 0 HA2 GLY A 55 -10.921 -10.438 -7.097 1.00 74.24 H new ATOM 0 HA3 GLY A 55 -10.435 -10.808 -8.740 1.00 74.24 H new ATOM 754 N GLN A 56 -8.327 -8.764 -8.144 1.00 45.40 N ATOM 755 CA GLN A 56 -6.933 -8.412 -7.848 1.00 62.52 C ATOM 756 C GLN A 56 -6.841 -7.457 -6.643 1.00 2.23 C ATOM 757 O GLN A 56 -7.673 -6.566 -6.485 1.00 44.50 O ATOM 758 CB GLN A 56 -6.287 -7.758 -9.078 1.00 63.31 C ATOM 759 CG GLN A 56 -6.329 -8.622 -10.340 1.00 51.15 C ATOM 760 CD GLN A 56 -5.388 -9.820 -10.292 1.00 61.02 C ATOM 761 OE1 GLN A 56 -5.093 -10.359 -9.231 1.00 71.02 O ATOM 762 NE2 GLN A 56 -4.914 -10.248 -11.447 1.00 22.03 N ATOM 0 H GLN A 56 -8.783 -8.139 -8.809 1.00 45.40 H new ATOM 0 HA GLN A 56 -6.399 -9.329 -7.597 1.00 62.52 H new ATOM 0 HB2 GLN A 56 -6.791 -6.813 -9.281 1.00 63.31 H new ATOM 0 HB3 GLN A 56 -5.248 -7.522 -8.847 1.00 63.31 H new ATOM 0 HG2 GLN A 56 -7.348 -8.977 -10.493 1.00 51.15 H new ATOM 0 HG3 GLN A 56 -6.074 -8.005 -11.201 1.00 51.15 H new ATOM 0 HE21 GLN A 56 -5.179 -9.778 -12.313 1.00 22.03 H new ATOM 0 HE22 GLN A 56 -4.283 -11.049 -11.474 1.00 22.03 H new ATOM 771 N CYS A 57 -5.820 -7.638 -5.802 1.00 23.11 N ATOM 772 CA CYS A 57 -5.610 -6.761 -4.634 1.00 35.21 C ATOM 773 C CYS A 57 -5.426 -5.292 -5.058 1.00 51.51 C ATOM 774 O CYS A 57 -5.736 -4.369 -4.308 1.00 31.41 O ATOM 775 CB CYS A 57 -4.387 -7.224 -3.829 1.00 60.30 C ATOM 776 SG CYS A 57 -4.449 -8.960 -3.327 1.00 4.55 S ATOM 0 H CYS A 57 -5.126 -8.378 -5.902 1.00 23.11 H new ATOM 0 HA CYS A 57 -6.501 -6.828 -4.009 1.00 35.21 H new ATOM 0 HB2 CYS A 57 -3.490 -7.061 -4.426 1.00 60.30 H new ATOM 0 HB3 CYS A 57 -4.295 -6.602 -2.938 1.00 60.30 H new ATOM 0 HG CYS A 57 -3.859 -9.101 -2.177 1.00 4.55 H new ATOM 782 N THR A 58 -4.933 -5.090 -6.276 1.00 62.20 N ATOM 783 CA THR A 58 -4.694 -3.743 -6.817 1.00 31.00 C ATOM 784 C THR A 58 -6.004 -3.026 -7.193 1.00 50.32 C ATOM 785 O THR A 58 -6.031 -1.804 -7.364 1.00 61.04 O ATOM 786 CB THR A 58 -3.787 -3.814 -8.067 1.00 1.03 C ATOM 787 OG1 THR A 58 -4.433 -4.571 -9.103 1.00 73.14 O ATOM 788 CG2 THR A 58 -2.450 -4.468 -7.733 1.00 4.43 C ATOM 0 H THR A 58 -4.687 -5.845 -6.917 1.00 62.20 H new ATOM 0 HA THR A 58 -4.203 -3.172 -6.029 1.00 31.00 H new ATOM 0 HB THR A 58 -3.608 -2.795 -8.410 1.00 1.03 H new ATOM 0 HG1 THR A 58 -3.852 -4.609 -9.891 1.00 73.14 H new ATOM 0 HG21 THR A 58 -1.830 -4.506 -8.629 1.00 4.43 H new ATOM 0 HG22 THR A 58 -1.942 -3.886 -6.964 1.00 4.43 H new ATOM 0 HG23 THR A 58 -2.621 -5.480 -7.367 1.00 4.43 H new ATOM 796 N TRP A 59 -7.084 -3.798 -7.306 1.00 2.30 N ATOM 797 CA TRP A 59 -8.404 -3.286 -7.710 1.00 12.44 C ATOM 798 C TRP A 59 -8.926 -2.191 -6.758 1.00 61.43 C ATOM 799 O TRP A 59 -9.262 -1.088 -7.193 1.00 44.10 O ATOM 800 CB TRP A 59 -9.396 -4.459 -7.780 1.00 63.30 C ATOM 801 CG TRP A 59 -10.798 -4.084 -8.171 1.00 23.34 C ATOM 802 CD1 TRP A 59 -11.195 -3.452 -9.314 1.00 15.32 C ATOM 803 CD2 TRP A 59 -11.993 -4.360 -7.429 1.00 12.22 C ATOM 804 NE1 TRP A 59 -12.561 -3.304 -9.318 1.00 15.14 N ATOM 805 CE2 TRP A 59 -13.074 -3.852 -8.173 1.00 43.53 C ATOM 806 CE3 TRP A 59 -12.252 -4.981 -6.205 1.00 61.22 C ATOM 807 CZ2 TRP A 59 -14.391 -3.951 -7.736 1.00 22.24 C ATOM 808 CZ3 TRP A 59 -13.560 -5.078 -5.770 1.00 30.15 C ATOM 809 CH2 TRP A 59 -14.616 -4.563 -6.533 1.00 72.34 C ATOM 0 H TRP A 59 -7.074 -4.801 -7.120 1.00 2.30 H new ATOM 0 HA TRP A 59 -8.303 -2.822 -8.691 1.00 12.44 H new ATOM 0 HB2 TRP A 59 -9.019 -5.191 -8.494 1.00 63.30 H new ATOM 0 HB3 TRP A 59 -9.425 -4.949 -6.807 1.00 63.30 H new ATOM 0 HD1 TRP A 59 -10.533 -3.118 -10.099 1.00 15.32 H new ATOM 0 HE1 TRP A 59 -13.106 -2.857 -10.056 1.00 15.14 H new ATOM 0 HE3 TRP A 59 -11.444 -5.379 -5.609 1.00 61.22 H new ATOM 0 HZ2 TRP A 59 -15.207 -3.559 -8.325 1.00 22.24 H new ATOM 0 HZ3 TRP A 59 -13.772 -5.559 -4.826 1.00 30.15 H new ATOM 0 HH2 TRP A 59 -15.627 -4.651 -6.165 1.00 72.34 H new ATOM 820 N TYR A 60 -8.985 -2.495 -5.461 1.00 70.01 N ATOM 821 CA TYR A 60 -9.501 -1.538 -4.470 1.00 12.41 C ATOM 822 C TYR A 60 -8.469 -0.453 -4.119 1.00 13.54 C ATOM 823 O TYR A 60 -8.830 0.704 -3.880 1.00 13.34 O ATOM 824 CB TYR A 60 -9.964 -2.266 -3.197 1.00 15.32 C ATOM 825 CG TYR A 60 -8.920 -3.183 -2.572 1.00 55.13 C ATOM 826 CD1 TYR A 60 -8.831 -4.517 -2.955 1.00 31.44 C ATOM 827 CD2 TYR A 60 -8.036 -2.724 -1.596 1.00 73.13 C ATOM 828 CE1 TYR A 60 -7.897 -5.364 -2.391 1.00 41.44 C ATOM 829 CE2 TYR A 60 -7.098 -3.568 -1.028 1.00 1.24 C ATOM 830 CZ TYR A 60 -7.034 -4.886 -1.429 1.00 53.52 C ATOM 831 OH TYR A 60 -6.107 -5.731 -0.864 1.00 23.53 O ATOM 0 H TYR A 60 -8.685 -3.388 -5.070 1.00 70.01 H new ATOM 0 HA TYR A 60 -10.358 -1.041 -4.925 1.00 12.41 H new ATOM 0 HB2 TYR A 60 -10.263 -1.523 -2.458 1.00 15.32 H new ATOM 0 HB3 TYR A 60 -10.850 -2.855 -3.434 1.00 15.32 H new ATOM 0 HD1 TYR A 60 -9.505 -4.898 -3.708 1.00 31.44 H new ATOM 0 HD2 TYR A 60 -8.084 -1.693 -1.278 1.00 73.13 H new ATOM 0 HE1 TYR A 60 -7.843 -6.397 -2.703 1.00 41.44 H new ATOM 0 HE2 TYR A 60 -6.419 -3.196 -0.274 1.00 1.24 H new ATOM 0 HH TYR A 60 -5.220 -5.316 -0.903 1.00 23.53 H new ATOM 841 N VAL A 61 -7.191 -0.824 -4.097 1.00 24.24 N ATOM 842 CA VAL A 61 -6.116 0.118 -3.759 1.00 11.42 C ATOM 843 C VAL A 61 -6.084 1.318 -4.719 1.00 1.22 C ATOM 844 O VAL A 61 -5.925 2.465 -4.291 1.00 75.33 O ATOM 845 CB VAL A 61 -4.729 -0.576 -3.773 1.00 0.51 C ATOM 846 CG1 VAL A 61 -3.616 0.412 -3.420 1.00 12.52 C ATOM 847 CG2 VAL A 61 -4.711 -1.768 -2.821 1.00 21.12 C ATOM 0 H VAL A 61 -6.870 -1.769 -4.308 1.00 24.24 H new ATOM 0 HA VAL A 61 -6.329 0.477 -2.752 1.00 11.42 H new ATOM 0 HB VAL A 61 -4.548 -0.941 -4.784 1.00 0.51 H new ATOM 0 HG11 VAL A 61 -2.655 -0.101 -3.437 1.00 12.52 H new ATOM 0 HG12 VAL A 61 -3.607 1.224 -4.147 1.00 12.52 H new ATOM 0 HG13 VAL A 61 -3.792 0.818 -2.424 1.00 12.52 H new ATOM 0 HG21 VAL A 61 -3.729 -2.240 -2.847 1.00 21.12 H new ATOM 0 HG22 VAL A 61 -4.923 -1.427 -1.808 1.00 21.12 H new ATOM 0 HG23 VAL A 61 -5.468 -2.490 -3.127 1.00 21.12 H new ATOM 857 N TYR A 62 -6.252 1.050 -6.013 1.00 1.13 N ATOM 858 CA TYR A 62 -6.152 2.094 -7.040 1.00 73.34 C ATOM 859 C TYR A 62 -7.157 3.241 -6.798 1.00 74.35 C ATOM 860 O TYR A 62 -6.847 4.412 -7.032 1.00 22.54 O ATOM 861 CB TYR A 62 -6.368 1.479 -8.430 1.00 42.13 C ATOM 862 CG TYR A 62 -5.803 2.320 -9.564 1.00 70.35 C ATOM 863 CD1 TYR A 62 -4.472 2.183 -9.950 1.00 65.23 C ATOM 864 CD2 TYR A 62 -6.588 3.249 -10.243 1.00 31.50 C ATOM 865 CE1 TYR A 62 -3.943 2.941 -10.977 1.00 12.31 C ATOM 866 CE2 TYR A 62 -6.064 4.009 -11.271 1.00 24.13 C ATOM 867 CZ TYR A 62 -4.742 3.853 -11.633 1.00 44.12 C ATOM 868 OH TYR A 62 -4.216 4.607 -12.659 1.00 20.22 O ATOM 0 H TYR A 62 -6.458 0.120 -6.378 1.00 1.13 H new ATOM 0 HA TYR A 62 -5.152 2.523 -6.983 1.00 73.34 H new ATOM 0 HB2 TYR A 62 -5.907 0.492 -8.457 1.00 42.13 H new ATOM 0 HB3 TYR A 62 -7.436 1.336 -8.593 1.00 42.13 H new ATOM 0 HD1 TYR A 62 -3.842 1.471 -9.437 1.00 65.23 H new ATOM 0 HD2 TYR A 62 -7.623 3.377 -9.961 1.00 31.50 H new ATOM 0 HE1 TYR A 62 -2.909 2.820 -11.264 1.00 12.31 H new ATOM 0 HE2 TYR A 62 -6.687 4.723 -11.789 1.00 24.13 H new ATOM 0 HH TYR A 62 -4.909 5.200 -13.017 1.00 20.22 H new ATOM 878 N ASP A 63 -8.355 2.903 -6.320 1.00 24.12 N ATOM 879 CA ASP A 63 -9.384 3.913 -6.038 1.00 21.20 C ATOM 880 C ASP A 63 -9.079 4.657 -4.726 1.00 71.14 C ATOM 881 O ASP A 63 -9.221 5.880 -4.644 1.00 43.21 O ATOM 882 CB ASP A 63 -10.771 3.256 -5.970 1.00 43.24 C ATOM 883 CG ASP A 63 -11.902 4.279 -5.947 1.00 0.23 C ATOM 884 OD1 ASP A 63 -12.339 4.710 -7.035 1.00 34.22 O ATOM 885 OD2 ASP A 63 -12.357 4.659 -4.844 1.00 4.34 O ATOM 0 H ASP A 63 -8.639 1.944 -6.120 1.00 24.12 H new ATOM 0 HA ASP A 63 -9.379 4.640 -6.850 1.00 21.20 H new ATOM 0 HB2 ASP A 63 -10.899 2.597 -6.828 1.00 43.24 H new ATOM 0 HB3 ASP A 63 -10.831 2.633 -5.078 1.00 43.24 H new ATOM 890 N LYS A 64 -8.647 3.913 -3.707 1.00 43.21 N ATOM 891 CA LYS A 64 -8.294 4.498 -2.402 1.00 54.13 C ATOM 892 C LYS A 64 -7.086 5.451 -2.501 1.00 13.14 C ATOM 893 O LYS A 64 -6.945 6.373 -1.698 1.00 23.33 O ATOM 894 CB LYS A 64 -8.009 3.383 -1.381 1.00 64.04 C ATOM 895 CG LYS A 64 -9.255 2.609 -0.943 1.00 55.04 C ATOM 896 CD LYS A 64 -10.161 3.443 -0.029 1.00 61.15 C ATOM 897 CE LYS A 64 -9.493 3.750 1.310 1.00 31.43 C ATOM 898 NZ LYS A 64 -10.373 4.534 2.221 1.00 43.05 N ATOM 0 H LYS A 64 -8.531 2.901 -3.755 1.00 43.21 H new ATOM 0 HA LYS A 64 -9.147 5.088 -2.067 1.00 54.13 H new ATOM 0 HB2 LYS A 64 -7.292 2.684 -1.812 1.00 64.04 H new ATOM 0 HB3 LYS A 64 -7.538 3.821 -0.501 1.00 64.04 H new ATOM 0 HG2 LYS A 64 -9.817 2.299 -1.824 1.00 55.04 H new ATOM 0 HG3 LYS A 64 -8.952 1.701 -0.422 1.00 55.04 H new ATOM 0 HD2 LYS A 64 -10.419 4.377 -0.528 1.00 61.15 H new ATOM 0 HD3 LYS A 64 -11.094 2.906 0.145 1.00 61.15 H new ATOM 0 HE2 LYS A 64 -9.214 2.815 1.796 1.00 31.43 H new ATOM 0 HE3 LYS A 64 -8.572 4.305 1.134 1.00 31.43 H new ATOM 0 HZ1 LYS A 64 -10.049 5.522 2.252 1.00 43.05 H new ATOM 0 HZ2 LYS A 64 -11.352 4.502 1.871 1.00 43.05 H new ATOM 0 HZ3 LYS A 64 -10.334 4.127 3.177 1.00 43.05 H new ATOM 912 N VAL A 65 -6.214 5.221 -3.482 1.00 23.51 N ATOM 913 CA VAL A 65 -5.053 6.098 -3.712 1.00 20.43 C ATOM 914 C VAL A 65 -5.376 7.204 -4.745 1.00 40.45 C ATOM 915 O VAL A 65 -4.511 8.001 -5.123 1.00 1.02 O ATOM 916 CB VAL A 65 -3.822 5.274 -4.186 1.00 60.35 C ATOM 917 CG1 VAL A 65 -4.025 4.747 -5.605 1.00 35.30 C ATOM 918 CG2 VAL A 65 -2.532 6.088 -4.076 1.00 2.43 C ATOM 0 H VAL A 65 -6.284 4.438 -4.132 1.00 23.51 H new ATOM 0 HA VAL A 65 -4.814 6.576 -2.762 1.00 20.43 H new ATOM 0 HB VAL A 65 -3.725 4.414 -3.523 1.00 60.35 H new ATOM 0 HG11 VAL A 65 -3.149 4.175 -5.910 1.00 35.30 H new ATOM 0 HG12 VAL A 65 -4.905 4.104 -5.632 1.00 35.30 H new ATOM 0 HG13 VAL A 65 -4.166 5.585 -6.288 1.00 35.30 H new ATOM 0 HG21 VAL A 65 -1.690 5.484 -4.415 1.00 2.43 H new ATOM 0 HG22 VAL A 65 -2.611 6.981 -4.697 1.00 2.43 H new ATOM 0 HG23 VAL A 65 -2.374 6.381 -3.038 1.00 2.43 H new ATOM 928 N GLY A 66 -6.628 7.243 -5.205 1.00 14.32 N ATOM 929 CA GLY A 66 -7.053 8.269 -6.158 1.00 30.15 C ATOM 930 C GLY A 66 -6.437 8.116 -7.551 1.00 72.15 C ATOM 931 O GLY A 66 -6.523 9.026 -8.377 1.00 23.32 O ATOM 0 H GLY A 66 -7.358 6.583 -4.936 1.00 14.32 H new ATOM 0 HA2 GLY A 66 -8.139 8.241 -6.247 1.00 30.15 H new ATOM 0 HA3 GLY A 66 -6.791 9.250 -5.761 1.00 30.15 H new ATOM 935 N GLY A 67 -5.821 6.962 -7.813 1.00 74.45 N ATOM 936 CA GLY A 67 -5.208 6.709 -9.117 1.00 72.32 C ATOM 937 C GLY A 67 -3.956 7.548 -9.403 1.00 11.14 C ATOM 938 O GLY A 67 -3.523 7.646 -10.549 1.00 51.53 O ATOM 0 H GLY A 67 -5.734 6.195 -7.146 1.00 74.45 H new ATOM 0 HA2 GLY A 67 -4.946 5.653 -9.183 1.00 72.32 H new ATOM 0 HA3 GLY A 67 -5.946 6.903 -9.895 1.00 72.32 H new ATOM 942 N ASN A 68 -3.360 8.135 -8.362 1.00 63.23 N ATOM 943 CA ASN A 68 -2.157 8.977 -8.520 1.00 5.34 C ATOM 944 C ASN A 68 -0.862 8.139 -8.557 1.00 32.31 C ATOM 945 O ASN A 68 0.208 8.611 -8.166 1.00 53.41 O ATOM 946 CB ASN A 68 -2.090 10.003 -7.379 1.00 41.42 C ATOM 947 CG ASN A 68 -3.183 11.054 -7.489 1.00 33.21 C ATOM 948 OD1 ASN A 68 -3.584 11.436 -8.582 1.00 10.34 O ATOM 949 ND2 ASN A 68 -3.677 11.530 -6.364 1.00 41.33 N ATOM 0 H ASN A 68 -3.685 8.047 -7.399 1.00 63.23 H new ATOM 0 HA ASN A 68 -2.236 9.493 -9.477 1.00 5.34 H new ATOM 0 HB2 ASN A 68 -2.179 9.487 -6.423 1.00 41.42 H new ATOM 0 HB3 ASN A 68 -1.116 10.492 -7.388 1.00 41.42 H new ATOM 0 HD21 ASN A 68 -4.413 12.236 -6.388 1.00 41.33 H new ATOM 0 HD22 ASN A 68 -3.323 11.193 -5.469 1.00 41.33 H new ATOM 956 N ILE A 69 -0.961 6.908 -9.058 1.00 5.52 N ATOM 957 CA ILE A 69 0.191 5.997 -9.140 1.00 14.45 C ATOM 958 C ILE A 69 0.336 5.392 -10.548 1.00 74.52 C ATOM 959 O ILE A 69 -0.652 5.214 -11.267 1.00 12.42 O ATOM 960 CB ILE A 69 0.080 4.846 -8.107 1.00 64.31 C ATOM 961 CG1 ILE A 69 -1.228 4.061 -8.311 1.00 71.21 C ATOM 962 CG2 ILE A 69 0.175 5.392 -6.681 1.00 55.20 C ATOM 963 CD1 ILE A 69 -1.391 2.883 -7.379 1.00 25.35 C ATOM 0 H ILE A 69 -1.830 6.513 -9.416 1.00 5.52 H new ATOM 0 HA ILE A 69 1.074 6.596 -8.916 1.00 14.45 H new ATOM 0 HB ILE A 69 0.913 4.161 -8.262 1.00 64.31 H new ATOM 0 HG12 ILE A 69 -2.071 4.738 -8.174 1.00 71.21 H new ATOM 0 HG13 ILE A 69 -1.269 3.705 -9.340 1.00 71.21 H new ATOM 0 HG21 ILE A 69 0.095 4.569 -5.970 1.00 55.20 H new ATOM 0 HG22 ILE A 69 1.132 5.895 -6.547 1.00 55.20 H new ATOM 0 HG23 ILE A 69 -0.635 6.101 -6.508 1.00 55.20 H new ATOM 0 HD11 ILE A 69 -2.337 2.383 -7.587 1.00 25.35 H new ATOM 0 HD12 ILE A 69 -0.570 2.183 -7.531 1.00 25.35 H new ATOM 0 HD13 ILE A 69 -1.384 3.232 -6.346 1.00 25.35 H new ATOM 975 N GLY A 70 1.574 5.084 -10.931 1.00 14.14 N ATOM 976 CA GLY A 70 1.836 4.468 -12.229 1.00 31.24 C ATOM 977 C GLY A 70 1.232 3.072 -12.370 1.00 41.54 C ATOM 978 O GLY A 70 1.822 2.084 -11.938 1.00 72.45 O ATOM 0 H GLY A 70 2.406 5.250 -10.365 1.00 14.14 H new ATOM 0 HA2 GLY A 70 1.437 5.110 -13.015 1.00 31.24 H new ATOM 0 HA3 GLY A 70 2.913 4.407 -12.383 1.00 31.24 H new ATOM 982 N SER A 71 0.065 2.990 -13.009 1.00 45.23 N ATOM 983 CA SER A 71 -0.653 1.713 -13.194 1.00 3.31 C ATOM 984 C SER A 71 0.169 0.664 -13.970 1.00 64.30 C ATOM 985 O SER A 71 -0.230 -0.500 -14.060 1.00 24.40 O ATOM 986 CB SER A 71 -1.981 1.956 -13.924 1.00 71.43 C ATOM 987 OG SER A 71 -1.766 2.525 -15.204 1.00 20.53 O ATOM 0 H SER A 71 -0.413 3.796 -13.413 1.00 45.23 H new ATOM 0 HA SER A 71 -0.833 1.312 -12.196 1.00 3.31 H new ATOM 0 HB2 SER A 71 -2.520 1.014 -14.028 1.00 71.43 H new ATOM 0 HB3 SER A 71 -2.610 2.619 -13.329 1.00 71.43 H new ATOM 0 HG SER A 71 -2.628 2.668 -15.648 1.00 20.53 H new ATOM 993 N THR A 72 1.313 1.073 -14.525 1.00 31.21 N ATOM 994 CA THR A 72 2.195 0.167 -15.286 1.00 63.14 C ATOM 995 C THR A 72 2.830 -0.924 -14.400 1.00 12.40 C ATOM 996 O THR A 72 3.407 -1.886 -14.907 1.00 1.23 O ATOM 997 CB THR A 72 3.327 0.954 -15.996 1.00 53.32 C ATOM 998 OG1 THR A 72 4.181 0.060 -16.730 1.00 14.54 O ATOM 999 CG2 THR A 72 4.163 1.750 -14.993 1.00 12.51 C ATOM 0 H THR A 72 1.657 2.031 -14.464 1.00 31.21 H new ATOM 0 HA THR A 72 1.558 -0.318 -16.026 1.00 63.14 H new ATOM 0 HB THR A 72 2.856 1.652 -16.688 1.00 53.32 H new ATOM 0 HG1 THR A 72 4.069 -0.852 -16.390 1.00 14.54 H new ATOM 0 HG21 THR A 72 4.948 2.291 -15.522 1.00 12.51 H new ATOM 0 HG22 THR A 72 3.523 2.460 -14.469 1.00 12.51 H new ATOM 0 HG23 THR A 72 4.614 1.068 -14.273 1.00 12.51 H new ATOM 1007 N TRP A 73 2.726 -0.766 -13.078 1.00 1.14 N ATOM 1008 CA TRP A 73 3.306 -1.730 -12.129 1.00 45.04 C ATOM 1009 C TRP A 73 2.659 -3.122 -12.261 1.00 33.41 C ATOM 1010 O TRP A 73 3.342 -4.113 -12.529 1.00 14.54 O ATOM 1011 CB TRP A 73 3.154 -1.211 -10.692 1.00 61.31 C ATOM 1012 CG TRP A 73 3.778 0.139 -10.468 1.00 32.41 C ATOM 1013 CD1 TRP A 73 4.738 0.741 -11.233 1.00 53.50 C ATOM 1014 CD2 TRP A 73 3.486 1.055 -9.404 1.00 70.24 C ATOM 1015 NE1 TRP A 73 5.064 1.966 -10.707 1.00 62.45 N ATOM 1016 CE2 TRP A 73 4.307 2.181 -9.585 1.00 34.23 C ATOM 1017 CE3 TRP A 73 2.610 1.027 -8.315 1.00 52.15 C ATOM 1018 CZ2 TRP A 73 4.279 3.271 -8.720 1.00 24.25 C ATOM 1019 CZ3 TRP A 73 2.581 2.111 -7.458 1.00 63.34 C ATOM 1020 CH2 TRP A 73 3.412 3.216 -7.664 1.00 25.12 C ATOM 0 H TRP A 73 2.246 0.019 -12.637 1.00 1.14 H new ATOM 0 HA TRP A 73 4.365 -1.834 -12.367 1.00 45.04 H new ATOM 0 HB2 TRP A 73 2.094 -1.157 -10.445 1.00 61.31 H new ATOM 0 HB3 TRP A 73 3.605 -1.928 -10.006 1.00 61.31 H new ATOM 0 HD1 TRP A 73 5.177 0.314 -12.123 1.00 53.50 H new ATOM 0 HE1 TRP A 73 5.756 2.611 -11.089 1.00 62.45 H new ATOM 0 HE3 TRP A 73 1.968 0.175 -8.147 1.00 52.15 H new ATOM 0 HZ2 TRP A 73 4.918 4.128 -8.877 1.00 24.25 H new ATOM 0 HZ3 TRP A 73 1.905 2.104 -6.615 1.00 63.34 H new ATOM 0 HH2 TRP A 73 3.368 4.045 -6.973 1.00 25.12 H new ATOM 1031 N GLY A 74 1.344 -3.191 -12.056 1.00 2.43 N ATOM 1032 CA GLY A 74 0.616 -4.445 -12.239 1.00 32.13 C ATOM 1033 C GLY A 74 0.565 -5.314 -10.984 1.00 2.03 C ATOM 1034 O GLY A 74 -0.114 -4.970 -10.016 1.00 22.21 O ATOM 0 H GLY A 74 0.766 -2.402 -11.766 1.00 2.43 H new ATOM 0 HA2 GLY A 74 -0.402 -4.221 -12.557 1.00 32.13 H new ATOM 0 HA3 GLY A 74 1.083 -5.012 -13.044 1.00 32.13 H new ATOM 1038 N ASN A 75 1.271 -6.449 -11.003 1.00 71.25 N ATOM 1039 CA ASN A 75 1.292 -7.367 -9.855 1.00 1.33 C ATOM 1040 C ASN A 75 1.922 -6.703 -8.620 1.00 61.12 C ATOM 1041 O ASN A 75 2.922 -5.993 -8.728 1.00 3.31 O ATOM 1042 CB ASN A 75 2.059 -8.649 -10.199 1.00 73.30 C ATOM 1043 CG ASN A 75 1.420 -9.416 -11.342 1.00 51.03 C ATOM 1044 OD1 ASN A 75 1.737 -9.201 -12.504 1.00 24.21 O ATOM 1045 ND2 ASN A 75 0.517 -10.320 -11.024 1.00 64.50 N ATOM 0 H ASN A 75 1.834 -6.755 -11.796 1.00 71.25 H new ATOM 0 HA ASN A 75 0.258 -7.621 -9.622 1.00 1.33 H new ATOM 0 HB2 ASN A 75 3.085 -8.395 -10.464 1.00 73.30 H new ATOM 0 HB3 ASN A 75 2.106 -9.288 -9.318 1.00 73.30 H new ATOM 0 HD21 ASN A 75 0.060 -10.864 -11.756 1.00 64.50 H new ATOM 0 HD22 ASN A 75 0.274 -10.476 -10.046 1.00 64.50 H new ATOM 1052 N ALA A 76 1.342 -6.965 -7.449 1.00 10.03 N ATOM 1053 CA ALA A 76 1.780 -6.339 -6.196 1.00 41.12 C ATOM 1054 C ALA A 76 3.292 -6.491 -5.957 1.00 25.43 C ATOM 1055 O ALA A 76 3.966 -5.532 -5.583 1.00 34.43 O ATOM 1056 CB ALA A 76 0.995 -6.925 -5.028 1.00 12.50 C ATOM 0 H ALA A 76 0.561 -7.612 -7.339 1.00 10.03 H new ATOM 0 HA ALA A 76 1.581 -5.270 -6.276 1.00 41.12 H new ATOM 0 HB1 ALA A 76 1.322 -6.458 -4.099 1.00 12.50 H new ATOM 0 HB2 ALA A 76 -0.069 -6.737 -5.174 1.00 12.50 H new ATOM 0 HB3 ALA A 76 1.169 -8.000 -4.975 1.00 12.50 H new ATOM 1062 N ASN A 77 3.821 -7.687 -6.204 1.00 61.13 N ATOM 1063 CA ASN A 77 5.247 -7.976 -5.985 1.00 12.12 C ATOM 1064 C ASN A 77 6.177 -7.027 -6.772 1.00 45.44 C ATOM 1065 O ASN A 77 7.352 -6.871 -6.426 1.00 21.43 O ATOM 1066 CB ASN A 77 5.549 -9.437 -6.352 1.00 24.04 C ATOM 1067 CG ASN A 77 5.097 -9.809 -7.757 1.00 33.42 C ATOM 1068 OD1 ASN A 77 4.960 -8.961 -8.634 1.00 45.40 O ATOM 1069 ND2 ASN A 77 4.881 -11.087 -7.990 1.00 1.23 N ATOM 0 H ASN A 77 3.285 -8.479 -6.558 1.00 61.13 H new ATOM 0 HA ASN A 77 5.448 -7.811 -4.926 1.00 12.12 H new ATOM 0 HB2 ASN A 77 6.621 -9.613 -6.264 1.00 24.04 H new ATOM 0 HB3 ASN A 77 5.058 -10.094 -5.634 1.00 24.04 H new ATOM 0 HD21 ASN A 77 4.592 -11.394 -8.919 1.00 1.23 H new ATOM 0 HD22 ASN A 77 5.003 -11.770 -7.242 1.00 1.23 H new ATOM 1076 N ASN A 78 5.651 -6.406 -7.827 1.00 13.42 N ATOM 1077 CA ASN A 78 6.431 -5.481 -8.664 1.00 64.31 C ATOM 1078 C ASN A 78 6.322 -4.023 -8.164 1.00 54.01 C ATOM 1079 O ASN A 78 7.213 -3.207 -8.408 1.00 24.23 O ATOM 1080 CB ASN A 78 5.952 -5.578 -10.122 1.00 72.03 C ATOM 1081 CG ASN A 78 6.790 -4.752 -11.084 1.00 51.11 C ATOM 1082 OD1 ASN A 78 7.985 -4.561 -10.886 1.00 71.21 O ATOM 1083 ND2 ASN A 78 6.174 -4.266 -12.142 1.00 54.23 N ATOM 0 H ASN A 78 4.683 -6.524 -8.127 1.00 13.42 H new ATOM 0 HA ASN A 78 7.480 -5.771 -8.600 1.00 64.31 H new ATOM 0 HB2 ASN A 78 5.973 -6.622 -10.436 1.00 72.03 H new ATOM 0 HB3 ASN A 78 4.914 -5.249 -10.179 1.00 72.03 H new ATOM 0 HD21 ASN A 78 6.692 -3.713 -12.825 1.00 54.23 H new ATOM 0 HD22 ASN A 78 5.179 -4.442 -12.279 1.00 54.23 H new ATOM 1090 N TRP A 79 5.241 -3.713 -7.441 1.00 63.13 N ATOM 1091 CA TRP A 79 4.952 -2.332 -6.990 1.00 44.51 C ATOM 1092 C TRP A 79 6.144 -1.660 -6.290 1.00 52.15 C ATOM 1093 O TRP A 79 6.413 -0.480 -6.510 1.00 11.42 O ATOM 1094 CB TRP A 79 3.730 -2.320 -6.052 1.00 15.44 C ATOM 1095 CG TRP A 79 2.412 -2.376 -6.765 1.00 40.32 C ATOM 1096 CD1 TRP A 79 2.088 -3.158 -7.833 1.00 55.22 C ATOM 1097 CD2 TRP A 79 1.237 -1.619 -6.447 1.00 52.33 C ATOM 1098 NE1 TRP A 79 0.786 -2.930 -8.207 1.00 24.14 N ATOM 1099 CE2 TRP A 79 0.242 -1.987 -7.370 1.00 73.32 C ATOM 1100 CE3 TRP A 79 0.933 -0.661 -5.471 1.00 11.25 C ATOM 1101 CZ2 TRP A 79 -1.037 -1.429 -7.344 1.00 53.34 C ATOM 1102 CZ3 TRP A 79 -0.334 -0.111 -5.448 1.00 21.04 C ATOM 1103 CH2 TRP A 79 -1.305 -0.497 -6.378 1.00 42.25 C ATOM 0 H TRP A 79 4.544 -4.398 -7.150 1.00 63.13 H new ATOM 0 HA TRP A 79 4.742 -1.755 -7.890 1.00 44.51 H new ATOM 0 HB2 TRP A 79 3.799 -3.168 -5.371 1.00 15.44 H new ATOM 0 HB3 TRP A 79 3.763 -1.418 -5.441 1.00 15.44 H new ATOM 0 HD1 TRP A 79 2.757 -3.855 -8.315 1.00 55.22 H new ATOM 0 HE1 TRP A 79 0.302 -3.387 -8.980 1.00 24.14 H new ATOM 0 HE3 TRP A 79 1.677 -0.358 -4.749 1.00 11.25 H new ATOM 0 HZ2 TRP A 79 -1.789 -1.722 -8.061 1.00 53.34 H new ATOM 0 HZ3 TRP A 79 -0.579 0.629 -4.700 1.00 21.04 H new ATOM 0 HH2 TRP A 79 -2.287 -0.050 -6.333 1.00 42.25 H new ATOM 1114 N ALA A 80 6.865 -2.412 -5.463 1.00 33.33 N ATOM 1115 CA ALA A 80 7.965 -1.843 -4.668 1.00 61.10 C ATOM 1116 C ALA A 80 9.116 -1.328 -5.553 1.00 4.23 C ATOM 1117 O ALA A 80 9.394 -0.127 -5.592 1.00 70.24 O ATOM 1118 CB ALA A 80 8.479 -2.869 -3.667 1.00 4.01 C ATOM 0 H ALA A 80 6.714 -3.411 -5.322 1.00 33.33 H new ATOM 0 HA ALA A 80 7.566 -0.985 -4.127 1.00 61.10 H new ATOM 0 HB1 ALA A 80 9.292 -2.435 -3.086 1.00 4.01 H new ATOM 0 HB2 ALA A 80 7.670 -3.161 -2.997 1.00 4.01 H new ATOM 0 HB3 ALA A 80 8.843 -3.747 -4.200 1.00 4.01 H new ATOM 1124 N SER A 81 9.775 -2.238 -6.270 1.00 41.44 N ATOM 1125 CA SER A 81 10.912 -1.867 -7.128 1.00 53.30 C ATOM 1126 C SER A 81 10.483 -0.933 -8.264 1.00 23.14 C ATOM 1127 O SER A 81 11.234 -0.043 -8.664 1.00 71.03 O ATOM 1128 CB SER A 81 11.584 -3.111 -7.720 1.00 54.51 C ATOM 1129 OG SER A 81 12.623 -2.758 -8.633 1.00 22.34 O ATOM 0 H SER A 81 9.547 -3.232 -6.278 1.00 41.44 H new ATOM 0 HA SER A 81 11.626 -1.340 -6.495 1.00 53.30 H new ATOM 0 HB2 SER A 81 11.996 -3.721 -6.916 1.00 54.51 H new ATOM 0 HB3 SER A 81 10.839 -3.720 -8.232 1.00 54.51 H new ATOM 0 HG SER A 81 13.033 -3.572 -8.992 1.00 22.34 H new ATOM 1135 N ALA A 82 9.280 -1.142 -8.786 1.00 61.33 N ATOM 1136 CA ALA A 82 8.751 -0.296 -9.859 1.00 3.40 C ATOM 1137 C ALA A 82 8.526 1.147 -9.376 1.00 52.55 C ATOM 1138 O ALA A 82 8.881 2.104 -10.064 1.00 13.33 O ATOM 1139 CB ALA A 82 7.464 -0.890 -10.409 1.00 72.43 C ATOM 0 H ALA A 82 8.651 -1.887 -8.487 1.00 61.33 H new ATOM 0 HA ALA A 82 9.490 -0.261 -10.660 1.00 3.40 H new ATOM 0 HB1 ALA A 82 7.080 -0.253 -11.206 1.00 72.43 H new ATOM 0 HB2 ALA A 82 7.663 -1.886 -10.805 1.00 72.43 H new ATOM 0 HB3 ALA A 82 6.725 -0.958 -9.611 1.00 72.43 H new ATOM 1145 N ALA A 83 7.943 1.296 -8.187 1.00 4.02 N ATOM 1146 CA ALA A 83 7.730 2.619 -7.589 1.00 34.21 C ATOM 1147 C ALA A 83 9.062 3.348 -7.355 1.00 3.24 C ATOM 1148 O ALA A 83 9.243 4.495 -7.777 1.00 14.02 O ATOM 1149 CB ALA A 83 6.953 2.489 -6.283 1.00 14.24 C ATOM 0 H ALA A 83 7.609 0.519 -7.617 1.00 4.02 H new ATOM 0 HA ALA A 83 7.145 3.215 -8.289 1.00 34.21 H new ATOM 0 HB1 ALA A 83 6.802 3.478 -5.850 1.00 14.24 H new ATOM 0 HB2 ALA A 83 5.985 2.027 -6.480 1.00 14.24 H new ATOM 0 HB3 ALA A 83 7.516 1.869 -5.585 1.00 14.24 H new ATOM 1155 N SER A 84 10.000 2.671 -6.697 1.00 42.54 N ATOM 1156 CA SER A 84 11.324 3.248 -6.414 1.00 14.31 C ATOM 1157 C SER A 84 12.113 3.528 -7.700 1.00 34.45 C ATOM 1158 O SER A 84 12.952 4.427 -7.740 1.00 65.14 O ATOM 1159 CB SER A 84 12.131 2.321 -5.496 1.00 33.42 C ATOM 1160 OG SER A 84 12.277 1.028 -6.060 1.00 61.41 O ATOM 0 H SER A 84 9.874 1.721 -6.347 1.00 42.54 H new ATOM 0 HA SER A 84 11.160 4.200 -5.909 1.00 14.31 H new ATOM 0 HB2 SER A 84 13.115 2.753 -5.315 1.00 33.42 H new ATOM 0 HB3 SER A 84 11.635 2.243 -4.529 1.00 33.42 H new ATOM 0 HG SER A 84 11.803 0.989 -6.917 1.00 61.41 H new ATOM 1166 N SER A 85 11.848 2.752 -8.749 1.00 4.23 N ATOM 1167 CA SER A 85 12.485 2.971 -10.059 1.00 54.42 C ATOM 1168 C SER A 85 11.838 4.139 -10.819 1.00 5.54 C ATOM 1169 O SER A 85 12.520 4.898 -11.516 1.00 24.42 O ATOM 1170 CB SER A 85 12.408 1.697 -10.916 1.00 4.13 C ATOM 1171 OG SER A 85 12.960 1.905 -12.210 1.00 13.14 O ATOM 0 H SER A 85 11.199 1.966 -8.724 1.00 4.23 H new ATOM 0 HA SER A 85 13.529 3.222 -9.871 1.00 54.42 H new ATOM 0 HB2 SER A 85 12.943 0.889 -10.417 1.00 4.13 H new ATOM 0 HB3 SER A 85 11.369 1.382 -11.009 1.00 4.13 H new ATOM 0 HG SER A 85 12.897 1.076 -12.729 1.00 13.14 H new ATOM 1177 N ALA A 86 10.520 4.280 -10.680 1.00 72.13 N ATOM 1178 CA ALA A 86 9.763 5.323 -11.384 1.00 30.15 C ATOM 1179 C ALA A 86 9.996 6.719 -10.782 1.00 22.12 C ATOM 1180 O ALA A 86 9.785 7.733 -11.450 1.00 71.50 O ATOM 1181 CB ALA A 86 8.272 4.986 -11.376 1.00 63.21 C ATOM 0 H ALA A 86 9.948 3.682 -10.083 1.00 72.13 H new ATOM 0 HA ALA A 86 10.125 5.350 -12.412 1.00 30.15 H new ATOM 0 HB1 ALA A 86 7.720 5.766 -11.901 1.00 63.21 H new ATOM 0 HB2 ALA A 86 8.112 4.030 -11.875 1.00 63.21 H new ATOM 0 HB3 ALA A 86 7.919 4.921 -10.347 1.00 63.21 H new ATOM 1187 N GLY A 87 10.426 6.769 -9.521 1.00 23.23 N ATOM 1188 CA GLY A 87 10.685 8.050 -8.862 1.00 22.44 C ATOM 1189 C GLY A 87 9.851 8.268 -7.599 1.00 0.54 C ATOM 1190 O GLY A 87 9.905 9.339 -6.990 1.00 22.44 O ATOM 0 H GLY A 87 10.601 5.948 -8.941 1.00 23.23 H new ATOM 0 HA2 GLY A 87 11.742 8.109 -8.604 1.00 22.44 H new ATOM 0 HA3 GLY A 87 10.483 8.858 -9.565 1.00 22.44 H new ATOM 1194 N TYR A 88 9.081 7.257 -7.205 1.00 33.11 N ATOM 1195 CA TYR A 88 8.266 7.332 -5.985 1.00 34.10 C ATOM 1196 C TYR A 88 9.130 7.147 -4.723 1.00 54.33 C ATOM 1197 O TYR A 88 10.360 7.068 -4.796 1.00 2.25 O ATOM 1198 CB TYR A 88 7.154 6.271 -6.020 1.00 43.33 C ATOM 1199 CG TYR A 88 6.086 6.521 -7.073 1.00 41.25 C ATOM 1200 CD1 TYR A 88 6.358 6.348 -8.426 1.00 24.12 C ATOM 1201 CD2 TYR A 88 4.804 6.927 -6.712 1.00 3.14 C ATOM 1202 CE1 TYR A 88 5.388 6.572 -9.384 1.00 13.04 C ATOM 1203 CE2 TYR A 88 3.828 7.151 -7.665 1.00 3.00 C ATOM 1204 CZ TYR A 88 4.124 6.972 -8.999 1.00 41.22 C ATOM 1205 OH TYR A 88 3.155 7.188 -9.951 1.00 11.21 O ATOM 0 H TYR A 88 9.001 6.374 -7.710 1.00 33.11 H new ATOM 0 HA TYR A 88 7.814 8.323 -5.946 1.00 34.10 H new ATOM 0 HB2 TYR A 88 7.604 5.295 -6.200 1.00 43.33 H new ATOM 0 HB3 TYR A 88 6.679 6.227 -5.040 1.00 43.33 H new ATOM 0 HD1 TYR A 88 7.344 6.033 -8.733 1.00 24.12 H new ATOM 0 HD2 TYR A 88 4.568 7.070 -5.668 1.00 3.14 H new ATOM 0 HE1 TYR A 88 5.618 6.435 -10.430 1.00 13.04 H new ATOM 0 HE2 TYR A 88 2.839 7.465 -7.366 1.00 3.00 H new ATOM 0 HH TYR A 88 3.525 7.009 -10.841 1.00 11.21 H new ATOM 1215 N THR A 89 8.479 7.069 -3.566 1.00 63.15 N ATOM 1216 CA THR A 89 9.185 6.969 -2.280 1.00 32.31 C ATOM 1217 C THR A 89 8.793 5.689 -1.519 1.00 61.10 C ATOM 1218 O THR A 89 7.766 5.648 -0.846 1.00 21.44 O ATOM 1219 CB THR A 89 8.892 8.210 -1.392 1.00 2.45 C ATOM 1220 OG1 THR A 89 9.229 9.420 -2.098 1.00 40.52 O ATOM 1221 CG2 THR A 89 9.678 8.156 -0.086 1.00 4.41 C ATOM 0 H THR A 89 7.462 7.073 -3.486 1.00 63.15 H new ATOM 0 HA THR A 89 10.252 6.928 -2.501 1.00 32.31 H new ATOM 0 HB THR A 89 7.827 8.204 -1.159 1.00 2.45 H new ATOM 0 HG1 THR A 89 9.038 10.195 -1.529 1.00 40.52 H new ATOM 0 HG21 THR A 89 9.451 9.038 0.512 1.00 4.41 H new ATOM 0 HG22 THR A 89 9.400 7.260 0.469 1.00 4.41 H new ATOM 0 HG23 THR A 89 10.746 8.131 -0.305 1.00 4.41 H new ATOM 1229 N VAL A 90 9.613 4.644 -1.633 1.00 74.43 N ATOM 1230 CA VAL A 90 9.322 3.352 -0.985 1.00 33.10 C ATOM 1231 C VAL A 90 10.143 3.159 0.301 1.00 74.04 C ATOM 1232 O VAL A 90 11.355 2.950 0.250 1.00 34.42 O ATOM 1233 CB VAL A 90 9.600 2.165 -1.946 1.00 64.40 C ATOM 1234 CG1 VAL A 90 9.216 0.831 -1.300 1.00 73.15 C ATOM 1235 CG2 VAL A 90 8.868 2.360 -3.273 1.00 64.52 C ATOM 0 H VAL A 90 10.483 4.660 -2.165 1.00 74.43 H new ATOM 0 HA VAL A 90 8.263 3.368 -0.726 1.00 33.10 H new ATOM 0 HB VAL A 90 10.671 2.140 -2.149 1.00 64.40 H new ATOM 0 HG11 VAL A 90 9.421 0.017 -1.996 1.00 73.15 H new ATOM 0 HG12 VAL A 90 9.799 0.686 -0.390 1.00 73.15 H new ATOM 0 HG13 VAL A 90 8.154 0.838 -1.054 1.00 73.15 H new ATOM 0 HG21 VAL A 90 9.077 1.517 -3.931 1.00 64.52 H new ATOM 0 HG22 VAL A 90 7.795 2.421 -3.091 1.00 64.52 H new ATOM 0 HG23 VAL A 90 9.209 3.282 -3.745 1.00 64.52 H new ATOM 1245 N ASN A 91 9.474 3.233 1.450 1.00 33.22 N ATOM 1246 CA ASN A 91 10.123 3.032 2.755 1.00 71.13 C ATOM 1247 C ASN A 91 9.215 2.237 3.702 1.00 64.41 C ATOM 1248 O ASN A 91 7.995 2.354 3.646 1.00 74.22 O ATOM 1249 CB ASN A 91 10.483 4.378 3.399 1.00 13.05 C ATOM 1250 CG ASN A 91 11.619 5.083 2.680 1.00 42.11 C ATOM 1251 OD1 ASN A 91 12.787 4.886 2.996 1.00 42.10 O ATOM 1252 ND2 ASN A 91 11.287 5.908 1.708 1.00 60.21 N ATOM 0 H ASN A 91 8.475 3.432 1.509 1.00 33.22 H new ATOM 0 HA ASN A 91 11.038 2.465 2.583 1.00 71.13 H new ATOM 0 HB2 ASN A 91 9.604 5.022 3.401 1.00 13.05 H new ATOM 0 HB3 ASN A 91 10.762 4.216 4.440 1.00 13.05 H new ATOM 0 HD21 ASN A 91 12.012 6.406 1.192 1.00 60.21 H new ATOM 0 HD22 ASN A 91 10.305 6.048 1.471 1.00 60.21 H new ATOM 1259 N ASN A 92 9.818 1.438 4.578 1.00 31.10 N ATOM 1260 CA ASN A 92 9.058 0.616 5.531 1.00 34.22 C ATOM 1261 C ASN A 92 8.431 1.459 6.653 1.00 72.32 C ATOM 1262 O ASN A 92 7.627 0.959 7.436 1.00 44.35 O ATOM 1263 CB ASN A 92 9.964 -0.461 6.130 1.00 71.14 C ATOM 1264 CG ASN A 92 10.519 -1.400 5.074 1.00 52.13 C ATOM 1265 OD1 ASN A 92 11.559 -1.136 4.481 1.00 41.44 O ATOM 1266 ND2 ASN A 92 9.831 -2.497 4.828 1.00 62.34 N ATOM 0 H ASN A 92 10.830 1.338 4.652 1.00 31.10 H new ATOM 0 HA ASN A 92 8.242 0.147 4.981 1.00 34.22 H new ATOM 0 HB2 ASN A 92 10.789 0.015 6.660 1.00 71.14 H new ATOM 0 HB3 ASN A 92 9.403 -1.037 6.866 1.00 71.14 H new ATOM 0 HD21 ASN A 92 10.160 -3.158 4.125 1.00 62.34 H new ATOM 0 HD22 ASN A 92 8.969 -2.684 5.341 1.00 62.34 H new ATOM 1273 N SER A 93 8.812 2.733 6.731 1.00 74.11 N ATOM 1274 CA SER A 93 8.232 3.662 7.712 1.00 74.23 C ATOM 1275 C SER A 93 6.701 3.734 7.569 1.00 11.21 C ATOM 1276 O SER A 93 6.187 4.116 6.513 1.00 3.02 O ATOM 1277 CB SER A 93 8.837 5.063 7.543 1.00 73.14 C ATOM 1278 OG SER A 93 10.250 5.042 7.690 1.00 13.23 O ATOM 0 H SER A 93 9.521 3.150 6.128 1.00 74.11 H new ATOM 0 HA SER A 93 8.468 3.287 8.708 1.00 74.23 H new ATOM 0 HB2 SER A 93 8.578 5.456 6.560 1.00 73.14 H new ATOM 0 HB3 SER A 93 8.404 5.739 8.280 1.00 73.14 H new ATOM 0 HG SER A 93 10.604 5.948 7.575 1.00 13.23 H new ATOM 1284 N PRO A 94 5.952 3.377 8.633 1.00 11.24 N ATOM 1285 CA PRO A 94 4.488 3.298 8.589 1.00 42.44 C ATOM 1286 C PRO A 94 3.785 4.636 8.882 1.00 34.32 C ATOM 1287 O PRO A 94 3.971 5.239 9.943 1.00 73.14 O ATOM 1288 CB PRO A 94 4.192 2.283 9.691 1.00 41.15 C ATOM 1289 CG PRO A 94 5.247 2.529 10.721 1.00 14.01 C ATOM 1290 CD PRO A 94 6.467 3.028 9.974 1.00 43.14 C ATOM 0 HA PRO A 94 4.122 3.026 7.599 1.00 42.44 H new ATOM 0 HB2 PRO A 94 3.193 2.426 10.104 1.00 41.15 H new ATOM 0 HB3 PRO A 94 4.237 1.262 9.313 1.00 41.15 H new ATOM 0 HG2 PRO A 94 4.912 3.265 11.452 1.00 14.01 H new ATOM 0 HG3 PRO A 94 5.475 1.615 11.270 1.00 14.01 H new ATOM 0 HD2 PRO A 94 6.911 3.893 10.468 1.00 43.14 H new ATOM 0 HD3 PRO A 94 7.240 2.262 9.917 1.00 43.14 H new ATOM 1298 N GLU A 95 2.977 5.094 7.933 1.00 11.11 N ATOM 1299 CA GLU A 95 2.166 6.304 8.114 1.00 62.04 C ATOM 1300 C GLU A 95 0.933 6.285 7.199 1.00 34.25 C ATOM 1301 O GLU A 95 0.916 5.590 6.181 1.00 52.51 O ATOM 1302 CB GLU A 95 3.011 7.563 7.855 1.00 72.42 C ATOM 1303 CG GLU A 95 2.264 8.873 8.100 1.00 25.04 C ATOM 1304 CD GLU A 95 3.149 10.102 7.946 1.00 43.33 C ATOM 1305 OE1 GLU A 95 3.656 10.340 6.830 1.00 23.31 O ATOM 1306 OE2 GLU A 95 3.343 10.835 8.942 1.00 5.14 O ATOM 0 H GLU A 95 2.862 4.647 7.024 1.00 11.11 H new ATOM 0 HA GLU A 95 1.818 6.325 9.147 1.00 62.04 H new ATOM 0 HB2 GLU A 95 3.893 7.534 8.495 1.00 72.42 H new ATOM 0 HB3 GLU A 95 3.364 7.545 6.824 1.00 72.42 H new ATOM 0 HG2 GLU A 95 1.429 8.944 7.403 1.00 25.04 H new ATOM 0 HG3 GLU A 95 1.841 8.861 9.104 1.00 25.04 H new ATOM 1313 N ALA A 96 -0.100 7.037 7.578 1.00 3.33 N ATOM 1314 CA ALA A 96 -1.345 7.110 6.804 1.00 64.13 C ATOM 1315 C ALA A 96 -1.134 7.765 5.428 1.00 34.53 C ATOM 1316 O ALA A 96 -0.251 8.609 5.253 1.00 72.44 O ATOM 1317 CB ALA A 96 -2.403 7.873 7.594 1.00 3.13 C ATOM 0 H ALA A 96 -0.101 7.609 8.422 1.00 3.33 H new ATOM 0 HA ALA A 96 -1.685 6.089 6.628 1.00 64.13 H new ATOM 0 HB1 ALA A 96 -3.324 7.923 7.014 1.00 3.13 H new ATOM 0 HB2 ALA A 96 -2.595 7.359 8.536 1.00 3.13 H new ATOM 0 HB3 ALA A 96 -2.047 8.883 7.798 1.00 3.13 H new ATOM 1323 N GLY A 97 -1.966 7.380 4.460 1.00 45.13 N ATOM 1324 CA GLY A 97 -1.847 7.912 3.103 1.00 54.02 C ATOM 1325 C GLY A 97 -0.717 7.268 2.304 1.00 34.21 C ATOM 1326 O GLY A 97 0.021 7.944 1.587 1.00 0.03 O ATOM 0 H GLY A 97 -2.723 6.708 4.588 1.00 45.13 H new ATOM 0 HA2 GLY A 97 -2.789 7.760 2.576 1.00 54.02 H new ATOM 0 HA3 GLY A 97 -1.680 8.988 3.154 1.00 54.02 H new ATOM 1330 N SER A 98 -0.576 5.953 2.436 1.00 52.55 N ATOM 1331 CA SER A 98 0.465 5.198 1.721 1.00 63.25 C ATOM 1332 C SER A 98 0.022 3.752 1.472 1.00 5.43 C ATOM 1333 O SER A 98 -0.864 3.242 2.155 1.00 25.45 O ATOM 1334 CB SER A 98 1.785 5.202 2.514 1.00 13.13 C ATOM 1335 OG SER A 98 2.325 6.510 2.630 1.00 44.24 O ATOM 0 H SER A 98 -1.170 5.379 3.034 1.00 52.55 H new ATOM 0 HA SER A 98 0.625 5.688 0.761 1.00 63.25 H new ATOM 0 HB2 SER A 98 1.613 4.790 3.508 1.00 13.13 H new ATOM 0 HB3 SER A 98 2.508 4.553 2.020 1.00 13.13 H new ATOM 0 HG SER A 98 3.204 6.464 3.061 1.00 44.24 H new ATOM 1341 N ILE A 99 0.635 3.099 0.488 1.00 54.22 N ATOM 1342 CA ILE A 99 0.330 1.694 0.181 1.00 22.11 C ATOM 1343 C ILE A 99 1.435 0.780 0.718 1.00 74.02 C ATOM 1344 O ILE A 99 2.606 0.985 0.413 1.00 15.23 O ATOM 1345 CB ILE A 99 0.196 1.444 -1.350 1.00 11.44 C ATOM 1346 CG1 ILE A 99 -0.834 2.394 -1.991 1.00 74.11 C ATOM 1347 CG2 ILE A 99 -0.184 -0.014 -1.626 1.00 11.23 C ATOM 1348 CD1 ILE A 99 -0.335 3.813 -2.187 1.00 43.01 C ATOM 0 H ILE A 99 1.346 3.515 -0.113 1.00 54.22 H new ATOM 0 HA ILE A 99 -0.623 1.470 0.660 1.00 22.11 H new ATOM 0 HB ILE A 99 1.166 1.648 -1.802 1.00 11.44 H new ATOM 0 HG12 ILE A 99 -1.132 1.989 -2.958 1.00 74.11 H new ATOM 0 HG13 ILE A 99 -1.727 2.418 -1.366 1.00 74.11 H new ATOM 0 HG21 ILE A 99 -0.273 -0.170 -2.701 1.00 11.23 H new ATOM 0 HG22 ILE A 99 0.587 -0.673 -1.227 1.00 11.23 H new ATOM 0 HG23 ILE A 99 -1.137 -0.239 -1.147 1.00 11.23 H new ATOM 0 HD11 ILE A 99 -1.121 4.415 -2.643 1.00 43.01 H new ATOM 0 HD12 ILE A 99 -0.065 4.240 -1.221 1.00 43.01 H new ATOM 0 HD13 ILE A 99 0.539 3.805 -2.838 1.00 43.01 H new ATOM 1360 N LEU A 100 1.080 -0.226 1.515 1.00 65.13 N ATOM 1361 CA LEU A 100 2.093 -1.150 2.045 1.00 65.23 C ATOM 1362 C LEU A 100 2.141 -2.447 1.213 1.00 14.21 C ATOM 1363 O LEU A 100 1.130 -3.120 1.016 1.00 4.41 O ATOM 1364 CB LEU A 100 1.871 -1.426 3.551 1.00 41.41 C ATOM 1365 CG LEU A 100 0.806 -2.468 3.949 1.00 32.05 C ATOM 1366 CD1 LEU A 100 0.692 -2.560 5.470 1.00 10.14 C ATOM 1367 CD2 LEU A 100 -0.551 -2.149 3.345 1.00 40.21 C ATOM 0 H LEU A 100 0.123 -0.424 1.806 1.00 65.13 H new ATOM 0 HA LEU A 100 3.069 -0.674 1.956 1.00 65.23 H new ATOM 0 HB2 LEU A 100 2.823 -1.744 3.976 1.00 41.41 H new ATOM 0 HB3 LEU A 100 1.608 -0.482 4.028 1.00 41.41 H new ATOM 0 HG LEU A 100 1.129 -3.431 3.553 1.00 32.05 H new ATOM 0 HD11 LEU A 100 -0.064 -3.300 5.734 1.00 10.14 H new ATOM 0 HD12 LEU A 100 1.653 -2.857 5.890 1.00 10.14 H new ATOM 0 HD13 LEU A 100 0.405 -1.589 5.873 1.00 10.14 H new ATOM 0 HD21 LEU A 100 -1.272 -2.907 3.650 1.00 40.21 H new ATOM 0 HD22 LEU A 100 -0.883 -1.171 3.693 1.00 40.21 H new ATOM 0 HD23 LEU A 100 -0.472 -2.140 2.258 1.00 40.21 H new ATOM 1379 N GLN A 101 3.329 -2.771 0.705 1.00 13.52 N ATOM 1380 CA GLN A 101 3.503 -3.884 -0.235 1.00 72.30 C ATOM 1381 C GLN A 101 4.303 -5.039 0.401 1.00 13.23 C ATOM 1382 O GLN A 101 5.423 -4.837 0.878 1.00 61.32 O ATOM 1383 CB GLN A 101 4.212 -3.349 -1.493 1.00 23.11 C ATOM 1384 CG GLN A 101 4.066 -4.217 -2.741 1.00 55.14 C ATOM 1385 CD GLN A 101 4.977 -5.432 -2.764 1.00 53.31 C ATOM 1386 OE1 GLN A 101 4.613 -6.508 -2.318 1.00 40.11 O ATOM 1387 NE2 GLN A 101 6.173 -5.261 -3.284 1.00 22.33 N ATOM 0 H GLN A 101 4.192 -2.276 0.929 1.00 13.52 H new ATOM 0 HA GLN A 101 2.527 -4.289 -0.503 1.00 72.30 H new ATOM 0 HB2 GLN A 101 3.824 -2.355 -1.714 1.00 23.11 H new ATOM 0 HB3 GLN A 101 5.273 -3.235 -1.272 1.00 23.11 H new ATOM 0 HG2 GLN A 101 3.031 -4.551 -2.819 1.00 55.14 H new ATOM 0 HG3 GLN A 101 4.271 -3.607 -3.621 1.00 55.14 H new ATOM 0 HE21 GLN A 101 6.445 -4.348 -3.648 1.00 22.33 H new ATOM 0 HE22 GLN A 101 6.828 -6.042 -3.323 1.00 22.33 H new ATOM 1396 N SER A 102 3.721 -6.241 0.401 1.00 4.10 N ATOM 1397 CA SER A 102 4.365 -7.435 0.983 1.00 52.21 C ATOM 1398 C SER A 102 4.809 -8.428 -0.100 1.00 40.50 C ATOM 1399 O SER A 102 3.978 -9.032 -0.785 1.00 54.04 O ATOM 1400 CB SER A 102 3.402 -8.143 1.946 1.00 54.31 C ATOM 1401 OG SER A 102 3.989 -9.309 2.511 1.00 32.45 O ATOM 0 H SER A 102 2.799 -6.420 0.003 1.00 4.10 H new ATOM 0 HA SER A 102 5.249 -7.093 1.522 1.00 52.21 H new ATOM 0 HB2 SER A 102 3.114 -7.457 2.743 1.00 54.31 H new ATOM 0 HB3 SER A 102 2.490 -8.415 1.415 1.00 54.31 H new ATOM 0 HG SER A 102 3.350 -9.735 3.120 1.00 32.45 H new ATOM 1466 N GLY A 108 2.232 -11.270 -4.494 1.00 71.22 N ATOM 1467 CA GLY A 108 2.490 -10.165 -3.573 1.00 62.21 C ATOM 1468 C GLY A 108 1.217 -9.735 -2.843 1.00 64.14 C ATOM 1469 O GLY A 108 0.218 -10.459 -2.857 1.00 1.22 O ATOM 0 HA2 GLY A 108 3.244 -10.465 -2.845 1.00 62.21 H new ATOM 0 HA3 GLY A 108 2.898 -9.318 -4.124 1.00 62.21 H new ATOM 1473 N HIS A 109 1.240 -8.568 -2.203 1.00 60.31 N ATOM 1474 CA HIS A 109 0.030 -8.014 -1.573 1.00 12.12 C ATOM 1475 C HIS A 109 0.149 -6.498 -1.352 1.00 53.44 C ATOM 1476 O HIS A 109 1.219 -5.995 -1.006 1.00 70.53 O ATOM 1477 CB HIS A 109 -0.271 -8.714 -0.239 1.00 33.12 C ATOM 1478 CG HIS A 109 -1.568 -8.278 0.379 1.00 73.51 C ATOM 1479 ND1 HIS A 109 -2.726 -8.240 -0.361 1.00 10.44 N ATOM 1480 CD2 HIS A 109 -1.835 -7.849 1.638 1.00 61.23 C ATOM 1481 CE1 HIS A 109 -3.664 -7.790 0.454 1.00 11.23 C ATOM 1482 NE2 HIS A 109 -3.173 -7.541 1.675 1.00 25.34 N ATOM 0 H HIS A 109 2.073 -7.987 -2.104 1.00 60.31 H new ATOM 0 HA HIS A 109 -0.797 -8.196 -2.260 1.00 12.12 H new ATOM 0 HB2 HIS A 109 -0.297 -9.792 -0.400 1.00 33.12 H new ATOM 0 HB3 HIS A 109 0.542 -8.515 0.460 1.00 33.12 H new ATOM 0 HD2 HIS A 109 -1.132 -7.766 2.453 1.00 61.23 H new ATOM 0 HE1 HIS A 109 -4.696 -7.642 0.171 1.00 11.23 H new ATOM 0 HE2 HIS A 109 -3.693 -7.190 2.479 1.00 25.34 H new ATOM 1490 N VAL A 110 -0.962 -5.785 -1.548 1.00 72.24 N ATOM 1491 CA VAL A 110 -1.000 -4.324 -1.393 1.00 55.45 C ATOM 1492 C VAL A 110 -2.310 -3.855 -0.735 1.00 61.03 C ATOM 1493 O VAL A 110 -3.383 -4.390 -1.012 1.00 51.44 O ATOM 1494 CB VAL A 110 -0.842 -3.596 -2.757 1.00 61.23 C ATOM 1495 CG1 VAL A 110 0.585 -3.719 -3.288 1.00 2.14 C ATOM 1496 CG2 VAL A 110 -1.843 -4.131 -3.782 1.00 62.31 C ATOM 0 H VAL A 110 -1.856 -6.197 -1.817 1.00 72.24 H new ATOM 0 HA VAL A 110 -0.160 -4.067 -0.748 1.00 55.45 H new ATOM 0 HB VAL A 110 -1.051 -2.539 -2.592 1.00 61.23 H new ATOM 0 HG11 VAL A 110 0.664 -3.200 -4.243 1.00 2.14 H new ATOM 0 HG12 VAL A 110 1.278 -3.274 -2.575 1.00 2.14 H new ATOM 0 HG13 VAL A 110 0.833 -4.772 -3.426 1.00 2.14 H new ATOM 0 HG21 VAL A 110 -1.712 -3.605 -4.728 1.00 62.31 H new ATOM 0 HG22 VAL A 110 -1.674 -5.197 -3.933 1.00 62.31 H new ATOM 0 HG23 VAL A 110 -2.858 -3.973 -3.417 1.00 62.31 H new ATOM 1506 N ALA A 111 -2.209 -2.854 0.135 1.00 62.42 N ATOM 1507 CA ALA A 111 -3.385 -2.240 0.762 1.00 52.24 C ATOM 1508 C ALA A 111 -3.115 -0.768 1.110 1.00 73.21 C ATOM 1509 O ALA A 111 -1.960 -0.359 1.266 1.00 4.20 O ATOM 1510 CB ALA A 111 -3.798 -3.020 2.007 1.00 71.25 C ATOM 0 H ALA A 111 -1.321 -2.446 0.426 1.00 62.42 H new ATOM 0 HA ALA A 111 -4.207 -2.273 0.047 1.00 52.24 H new ATOM 0 HB1 ALA A 111 -4.672 -2.549 2.458 1.00 71.25 H new ATOM 0 HB2 ALA A 111 -4.041 -4.046 1.730 1.00 71.25 H new ATOM 0 HB3 ALA A 111 -2.977 -3.023 2.724 1.00 71.25 H new ATOM 1516 N TYR A 112 -4.175 0.026 1.227 1.00 3.34 N ATOM 1517 CA TYR A 112 -4.034 1.462 1.499 1.00 45.21 C ATOM 1518 C TYR A 112 -4.171 1.760 3.003 1.00 31.21 C ATOM 1519 O TYR A 112 -5.133 1.338 3.646 1.00 4.23 O ATOM 1520 CB TYR A 112 -5.075 2.257 0.699 1.00 22.33 C ATOM 1521 CG TYR A 112 -4.886 3.763 0.773 1.00 2.31 C ATOM 1522 CD1 TYR A 112 -3.942 4.405 -0.022 1.00 11.23 C ATOM 1523 CD2 TYR A 112 -5.651 4.541 1.635 1.00 70.11 C ATOM 1524 CE1 TYR A 112 -3.768 5.774 0.042 1.00 63.33 C ATOM 1525 CE2 TYR A 112 -5.483 5.910 1.703 1.00 13.51 C ATOM 1526 CZ TYR A 112 -4.541 6.522 0.905 1.00 15.41 C ATOM 1527 OH TYR A 112 -4.369 7.884 0.977 1.00 44.32 O ATOM 0 H TYR A 112 -5.139 -0.294 1.139 1.00 3.34 H new ATOM 0 HA TYR A 112 -3.036 1.770 1.186 1.00 45.21 H new ATOM 0 HB2 TYR A 112 -5.033 1.946 -0.345 1.00 22.33 H new ATOM 0 HB3 TYR A 112 -6.070 2.007 1.066 1.00 22.33 H new ATOM 0 HD1 TYR A 112 -3.335 3.824 -0.700 1.00 11.23 H new ATOM 0 HD2 TYR A 112 -6.390 4.066 2.263 1.00 70.11 H new ATOM 0 HE1 TYR A 112 -3.030 6.256 -0.581 1.00 63.33 H new ATOM 0 HE2 TYR A 112 -6.087 6.498 2.378 1.00 13.51 H new ATOM 0 HH TYR A 112 -4.993 8.258 1.633 1.00 44.32 H new ATOM 1537 N VAL A 113 -3.203 2.489 3.552 1.00 4.55 N ATOM 1538 CA VAL A 113 -3.164 2.790 4.990 1.00 61.35 C ATOM 1539 C VAL A 113 -4.111 3.942 5.372 1.00 43.33 C ATOM 1540 O VAL A 113 -3.948 5.077 4.909 1.00 63.53 O ATOM 1541 CB VAL A 113 -1.727 3.151 5.444 1.00 33.22 C ATOM 1542 CG1 VAL A 113 -1.679 3.430 6.948 1.00 15.25 C ATOM 1543 CG2 VAL A 113 -0.745 2.045 5.066 1.00 32.51 C ATOM 0 H VAL A 113 -2.427 2.887 3.023 1.00 4.55 H new ATOM 0 HA VAL A 113 -3.497 1.886 5.499 1.00 61.35 H new ATOM 0 HB VAL A 113 -1.430 4.062 4.924 1.00 33.22 H new ATOM 0 HG11 VAL A 113 -0.659 3.681 7.239 1.00 15.25 H new ATOM 0 HG12 VAL A 113 -2.339 4.264 7.185 1.00 15.25 H new ATOM 0 HG13 VAL A 113 -2.005 2.544 7.493 1.00 15.25 H new ATOM 0 HG21 VAL A 113 0.257 2.320 5.395 1.00 32.51 H new ATOM 0 HG22 VAL A 113 -1.042 1.114 5.549 1.00 32.51 H new ATOM 0 HG23 VAL A 113 -0.748 1.910 3.984 1.00 32.51 H new ATOM 1553 N GLU A 114 -5.082 3.643 6.234 1.00 60.43 N ATOM 1554 CA GLU A 114 -6.037 4.645 6.720 1.00 75.14 C ATOM 1555 C GLU A 114 -5.460 5.437 7.909 1.00 75.23 C ATOM 1556 O GLU A 114 -5.416 6.669 7.891 1.00 72.14 O ATOM 1557 CB GLU A 114 -7.350 3.959 7.134 1.00 11.34 C ATOM 1558 CG GLU A 114 -8.056 3.220 5.994 1.00 21.23 C ATOM 1559 CD GLU A 114 -8.593 4.158 4.921 1.00 45.45 C ATOM 1560 OE1 GLU A 114 -7.848 4.486 3.978 1.00 73.31 O ATOM 1561 OE2 GLU A 114 -9.768 4.575 5.013 1.00 50.31 O ATOM 0 H GLU A 114 -5.231 2.708 6.614 1.00 60.43 H new ATOM 0 HA GLU A 114 -6.233 5.347 5.910 1.00 75.14 H new ATOM 0 HB2 GLU A 114 -7.140 3.252 7.936 1.00 11.34 H new ATOM 0 HB3 GLU A 114 -8.027 4.710 7.540 1.00 11.34 H new ATOM 0 HG2 GLU A 114 -7.360 2.516 5.538 1.00 21.23 H new ATOM 0 HG3 GLU A 114 -8.880 2.635 6.403 1.00 21.23 H new ATOM 1568 N ASN A 115 -5.008 4.719 8.939 1.00 23.23 N ATOM 1569 CA ASN A 115 -4.442 5.347 10.144 1.00 64.52 C ATOM 1570 C ASN A 115 -3.421 4.427 10.836 1.00 61.44 C ATOM 1571 O ASN A 115 -3.473 3.208 10.701 1.00 13.34 O ATOM 1572 CB ASN A 115 -5.574 5.737 11.116 1.00 3.23 C ATOM 1573 CG ASN A 115 -5.060 6.231 12.460 1.00 60.43 C ATOM 1574 OD1 ASN A 115 -4.672 7.383 12.612 1.00 13.41 O ATOM 1575 ND2 ASN A 115 -5.063 5.362 13.452 1.00 45.41 N ATOM 0 H ASN A 115 -5.021 3.699 8.967 1.00 23.23 H new ATOM 0 HA ASN A 115 -3.911 6.248 9.839 1.00 64.52 H new ATOM 0 HB2 ASN A 115 -6.186 6.515 10.659 1.00 3.23 H new ATOM 0 HB3 ASN A 115 -6.222 4.875 11.276 1.00 3.23 H new ATOM 0 HD21 ASN A 115 -4.736 5.642 14.377 1.00 45.41 H new ATOM 0 HD22 ASN A 115 -5.392 4.409 13.295 1.00 45.41 H new ATOM 1582 N VAL A 116 -2.482 5.026 11.569 1.00 31.21 N ATOM 1583 CA VAL A 116 -1.452 4.269 12.296 1.00 74.42 C ATOM 1584 C VAL A 116 -1.475 4.607 13.795 1.00 11.23 C ATOM 1585 O VAL A 116 -1.461 5.776 14.179 1.00 64.51 O ATOM 1586 CB VAL A 116 -0.033 4.553 11.728 1.00 62.15 C ATOM 1587 CG1 VAL A 116 1.038 3.795 12.514 1.00 63.24 C ATOM 1588 CG2 VAL A 116 0.031 4.194 10.244 1.00 20.31 C ATOM 0 H VAL A 116 -2.410 6.038 11.678 1.00 31.21 H new ATOM 0 HA VAL A 116 -1.680 3.211 12.163 1.00 74.42 H new ATOM 0 HB VAL A 116 0.166 5.619 11.835 1.00 62.15 H new ATOM 0 HG11 VAL A 116 2.020 4.013 12.094 1.00 63.24 H new ATOM 0 HG12 VAL A 116 1.012 4.107 13.558 1.00 63.24 H new ATOM 0 HG13 VAL A 116 0.846 2.724 12.451 1.00 63.24 H new ATOM 0 HG21 VAL A 116 1.031 4.399 9.863 1.00 20.31 H new ATOM 0 HG22 VAL A 116 -0.196 3.136 10.116 1.00 20.31 H new ATOM 0 HG23 VAL A 116 -0.696 4.791 9.694 1.00 20.31 H new ATOM 1598 N ASN A 117 -1.521 3.577 14.636 1.00 21.40 N ATOM 1599 CA ASN A 117 -1.543 3.759 16.094 1.00 13.40 C ATOM 1600 C ASN A 117 -0.146 4.096 16.641 1.00 5.00 C ATOM 1601 O ASN A 117 0.870 3.823 15.995 1.00 40.23 O ATOM 1602 CB ASN A 117 -2.070 2.489 16.775 1.00 32.24 C ATOM 1603 CG ASN A 117 -3.542 2.214 16.499 1.00 1.33 C ATOM 1604 OD1 ASN A 117 -4.222 1.600 17.311 1.00 34.33 O ATOM 1605 ND2 ASN A 117 -4.042 2.651 15.360 1.00 21.34 N ATOM 0 H ASN A 117 -1.544 2.602 14.336 1.00 21.40 H new ATOM 0 HA ASN A 117 -2.206 4.596 16.314 1.00 13.40 H new ATOM 0 HB2 ASN A 117 -1.481 1.636 16.439 1.00 32.24 H new ATOM 0 HB3 ASN A 117 -1.921 2.576 17.851 1.00 32.24 H new ATOM 0 HD21 ASN A 117 -5.022 2.480 15.134 1.00 21.34 H new ATOM 0 HD22 ASN A 117 -3.449 3.160 14.704 1.00 21.34 H new ATOM 1612 N SER A 118 -0.100 4.676 17.839 1.00 52.52 N ATOM 1613 CA SER A 118 1.174 5.021 18.494 1.00 62.20 C ATOM 1614 C SER A 118 2.004 3.766 18.815 1.00 23.10 C ATOM 1615 O SER A 118 3.218 3.846 19.012 1.00 61.44 O ATOM 1616 CB SER A 118 0.921 5.828 19.779 1.00 34.10 C ATOM 1617 OG SER A 118 0.251 7.051 19.496 1.00 51.23 O ATOM 0 H SER A 118 -0.928 4.920 18.382 1.00 52.52 H new ATOM 0 HA SER A 118 1.745 5.633 17.795 1.00 62.20 H new ATOM 0 HB2 SER A 118 0.324 5.235 20.472 1.00 34.10 H new ATOM 0 HB3 SER A 118 1.870 6.036 20.273 1.00 34.10 H new ATOM 0 HG SER A 118 0.101 7.543 20.330 1.00 51.23 H new ATOM 1623 N ASP A 119 1.341 2.608 18.870 1.00 72.24 N ATOM 1624 CA ASP A 119 2.028 1.319 19.057 1.00 51.13 C ATOM 1625 C ASP A 119 2.914 0.977 17.848 1.00 54.31 C ATOM 1626 O ASP A 119 3.869 0.204 17.957 1.00 3.34 O ATOM 1627 CB ASP A 119 1.005 0.188 19.241 1.00 42.25 C ATOM 1628 CG ASP A 119 0.012 0.468 20.349 1.00 2.40 C ATOM 1629 OD1 ASP A 119 0.337 0.209 21.521 1.00 30.42 O ATOM 1630 OD2 ASP A 119 -1.106 0.939 20.044 1.00 74.42 O ATOM 0 H ASP A 119 0.327 2.532 18.788 1.00 72.24 H new ATOM 0 HA ASP A 119 2.651 1.412 19.946 1.00 51.13 H new ATOM 0 HB2 ASP A 119 0.466 0.037 18.306 1.00 42.25 H new ATOM 0 HB3 ASP A 119 1.533 -0.741 19.459 1.00 42.25 H new ATOM 1635 N GLY A 120 2.590 1.565 16.701 1.00 71.54 N ATOM 1636 CA GLY A 120 3.205 1.171 15.441 1.00 44.34 C ATOM 1637 C GLY A 120 2.260 0.319 14.597 1.00 42.13 C ATOM 1638 O GLY A 120 2.585 -0.063 13.474 1.00 75.11 O ATOM 0 H GLY A 120 1.905 2.316 16.619 1.00 71.54 H new ATOM 0 HA2 GLY A 120 3.491 2.061 14.881 1.00 44.34 H new ATOM 0 HA3 GLY A 120 4.119 0.612 15.641 1.00 44.34 H new ATOM 1642 N SER A 121 1.089 0.010 15.163 1.00 72.21 N ATOM 1643 CA SER A 121 0.052 -0.761 14.466 1.00 4.21 C ATOM 1644 C SER A 121 -0.490 0.016 13.260 1.00 74.24 C ATOM 1645 O SER A 121 -0.887 1.174 13.388 1.00 10.44 O ATOM 1646 CB SER A 121 -1.108 -1.079 15.416 1.00 71.13 C ATOM 1647 OG SER A 121 -0.648 -1.665 16.625 1.00 5.31 O ATOM 0 H SER A 121 0.833 0.285 16.111 1.00 72.21 H new ATOM 0 HA SER A 121 0.507 -1.689 14.119 1.00 4.21 H new ATOM 0 HB2 SER A 121 -1.657 -0.164 15.640 1.00 71.13 H new ATOM 0 HB3 SER A 121 -1.806 -1.757 14.925 1.00 71.13 H new ATOM 0 HG SER A 121 -1.412 -1.854 17.209 1.00 5.31 H new ATOM 1653 N VAL A 122 -0.524 -0.626 12.101 1.00 63.25 N ATOM 1654 CA VAL A 122 -0.953 0.033 10.864 1.00 22.40 C ATOM 1655 C VAL A 122 -2.349 -0.437 10.423 1.00 24.40 C ATOM 1656 O VAL A 122 -2.538 -1.585 10.022 1.00 64.21 O ATOM 1657 CB VAL A 122 0.067 -0.219 9.730 1.00 50.43 C ATOM 1658 CG1 VAL A 122 -0.355 0.489 8.447 1.00 21.02 C ATOM 1659 CG2 VAL A 122 1.458 0.231 10.169 1.00 34.03 C ATOM 0 H VAL A 122 -0.260 -1.605 11.986 1.00 63.25 H new ATOM 0 HA VAL A 122 -1.005 1.102 11.069 1.00 22.40 H new ATOM 0 HB VAL A 122 0.096 -1.288 9.521 1.00 50.43 H new ATOM 0 HG11 VAL A 122 0.380 0.295 7.666 1.00 21.02 H new ATOM 0 HG12 VAL A 122 -1.329 0.117 8.129 1.00 21.02 H new ATOM 0 HG13 VAL A 122 -0.418 1.562 8.627 1.00 21.02 H new ATOM 0 HG21 VAL A 122 2.170 0.050 9.364 1.00 34.03 H new ATOM 0 HG22 VAL A 122 1.439 1.295 10.404 1.00 34.03 H new ATOM 0 HG23 VAL A 122 1.760 -0.330 11.053 1.00 34.03 H new ATOM 1669 N GLU A 123 -3.322 0.462 10.505 1.00 41.25 N ATOM 1670 CA GLU A 123 -4.702 0.149 10.131 1.00 5.54 C ATOM 1671 C GLU A 123 -4.946 0.457 8.643 1.00 2.21 C ATOM 1672 O GLU A 123 -5.012 1.621 8.233 1.00 63.22 O ATOM 1673 CB GLU A 123 -5.667 0.940 11.030 1.00 23.31 C ATOM 1674 CG GLU A 123 -5.387 0.736 12.517 1.00 63.33 C ATOM 1675 CD GLU A 123 -6.361 1.466 13.427 1.00 52.24 C ATOM 1676 OE1 GLU A 123 -6.272 2.710 13.529 1.00 14.40 O ATOM 1677 OE2 GLU A 123 -7.194 0.799 14.072 1.00 12.11 O ATOM 0 H GLU A 123 -3.183 1.419 10.828 1.00 41.25 H new ATOM 0 HA GLU A 123 -4.882 -0.916 10.276 1.00 5.54 H new ATOM 0 HB2 GLU A 123 -5.591 2.001 10.792 1.00 23.31 H new ATOM 0 HB3 GLU A 123 -6.691 0.637 10.812 1.00 23.31 H new ATOM 0 HG2 GLU A 123 -5.423 -0.330 12.742 1.00 63.33 H new ATOM 0 HG3 GLU A 123 -4.374 1.074 12.737 1.00 63.33 H new ATOM 1684 N VAL A 124 -5.061 -0.598 7.840 1.00 25.33 N ATOM 1685 CA VAL A 124 -5.197 -0.469 6.386 1.00 64.44 C ATOM 1686 C VAL A 124 -6.611 -0.830 5.902 1.00 34.11 C ATOM 1687 O VAL A 124 -7.453 -1.290 6.677 1.00 4.54 O ATOM 1688 CB VAL A 124 -4.169 -1.366 5.652 1.00 25.11 C ATOM 1689 CG1 VAL A 124 -2.743 -0.988 6.050 1.00 14.05 C ATOM 1690 CG2 VAL A 124 -4.435 -2.846 5.937 1.00 73.31 C ATOM 0 H VAL A 124 -5.063 -1.562 8.173 1.00 25.33 H new ATOM 0 HA VAL A 124 -5.007 0.578 6.150 1.00 64.44 H new ATOM 0 HB VAL A 124 -4.281 -1.202 4.580 1.00 25.11 H new ATOM 0 HG11 VAL A 124 -2.036 -1.630 5.524 1.00 14.05 H new ATOM 0 HG12 VAL A 124 -2.555 0.053 5.785 1.00 14.05 H new ATOM 0 HG13 VAL A 124 -2.619 -1.117 7.125 1.00 14.05 H new ATOM 0 HG21 VAL A 124 -3.700 -3.456 5.411 1.00 73.31 H new ATOM 0 HG22 VAL A 124 -4.358 -3.030 7.009 1.00 73.31 H new ATOM 0 HG23 VAL A 124 -5.436 -3.108 5.595 1.00 73.31 H new ATOM 1700 N SER A 125 -6.858 -0.619 4.612 1.00 74.34 N ATOM 1701 CA SER A 125 -8.154 -0.925 3.994 1.00 13.05 C ATOM 1702 C SER A 125 -8.017 -1.995 2.899 1.00 64.35 C ATOM 1703 O SER A 125 -7.206 -1.865 1.977 1.00 64.10 O ATOM 1704 CB SER A 125 -8.763 0.356 3.407 1.00 2.40 C ATOM 1705 OG SER A 125 -7.869 0.983 2.499 1.00 3.41 O ATOM 0 H SER A 125 -6.171 -0.233 3.964 1.00 74.34 H new ATOM 0 HA SER A 125 -8.813 -1.322 4.766 1.00 13.05 H new ATOM 0 HB2 SER A 125 -9.696 0.117 2.896 1.00 2.40 H new ATOM 0 HB3 SER A 125 -9.010 1.047 4.213 1.00 2.40 H new ATOM 0 HG SER A 125 -7.036 1.208 2.963 1.00 3.41 H new ATOM 1711 N GLU A 126 -8.808 -3.061 3.017 1.00 54.32 N ATOM 1712 CA GLU A 126 -8.797 -4.167 2.045 1.00 13.34 C ATOM 1713 C GLU A 126 -10.189 -4.376 1.421 1.00 35.54 C ATOM 1714 O GLU A 126 -11.105 -3.588 1.640 1.00 51.30 O ATOM 1715 CB GLU A 126 -8.332 -5.464 2.730 1.00 30.34 C ATOM 1716 CG GLU A 126 -6.946 -5.379 3.359 1.00 54.12 C ATOM 1717 CD GLU A 126 -6.515 -6.691 4.000 1.00 43.25 C ATOM 1718 OE1 GLU A 126 -7.085 -7.061 5.045 1.00 41.14 O ATOM 1719 OE2 GLU A 126 -5.606 -7.362 3.458 1.00 60.45 O ATOM 0 H GLU A 126 -9.472 -3.187 3.781 1.00 54.32 H new ATOM 0 HA GLU A 126 -8.102 -3.907 1.246 1.00 13.34 H new ATOM 0 HB2 GLU A 126 -9.053 -5.732 3.502 1.00 30.34 H new ATOM 0 HB3 GLU A 126 -8.337 -6.270 1.997 1.00 30.34 H new ATOM 0 HG2 GLU A 126 -6.221 -5.096 2.596 1.00 54.12 H new ATOM 0 HG3 GLU A 126 -6.940 -4.591 4.112 1.00 54.12 H new ATOM 1726 N MET A 127 -10.349 -5.441 0.638 1.00 12.34 N ATOM 1727 CA MET A 127 -11.648 -5.762 0.026 1.00 43.20 C ATOM 1728 C MET A 127 -12.023 -7.233 0.251 1.00 35.02 C ATOM 1729 O MET A 127 -11.206 -8.129 0.043 1.00 44.04 O ATOM 1730 CB MET A 127 -11.628 -5.453 -1.477 1.00 31.15 C ATOM 1731 CG MET A 127 -12.916 -5.827 -2.199 1.00 45.32 C ATOM 1732 SD MET A 127 -14.374 -5.059 -1.468 1.00 41.13 S ATOM 1733 CE MET A 127 -14.066 -3.329 -1.825 1.00 11.22 C ATOM 0 H MET A 127 -9.602 -6.097 0.410 1.00 12.34 H new ATOM 0 HA MET A 127 -12.401 -5.139 0.508 1.00 43.20 H new ATOM 0 HB2 MET A 127 -11.440 -4.389 -1.617 1.00 31.15 H new ATOM 0 HB3 MET A 127 -10.796 -5.987 -1.937 1.00 31.15 H new ATOM 0 HG2 MET A 127 -12.840 -5.530 -3.245 1.00 45.32 H new ATOM 0 HG3 MET A 127 -13.035 -6.910 -2.183 1.00 45.32 H new ATOM 0 HE1 MET A 127 -14.969 -2.751 -1.629 1.00 11.22 H new ATOM 0 HE2 MET A 127 -13.257 -2.965 -1.191 1.00 11.22 H new ATOM 0 HE3 MET A 127 -13.784 -3.218 -2.872 1.00 11.22 H new ATOM 1878 N GLU A 138 -12.032 -3.619 6.866 1.00 23.10 N ATOM 1879 CA GLU A 138 -11.093 -2.948 7.782 1.00 2.52 C ATOM 1880 C GLU A 138 -10.058 -3.932 8.354 1.00 34.34 C ATOM 1881 O GLU A 138 -10.402 -5.049 8.743 1.00 3.43 O ATOM 1882 CB GLU A 138 -11.886 -2.301 8.922 1.00 24.22 C ATOM 1883 CG GLU A 138 -12.899 -1.264 8.442 1.00 25.15 C ATOM 1884 CD GLU A 138 -13.981 -0.972 9.469 1.00 42.02 C ATOM 1885 OE1 GLU A 138 -13.792 -0.065 10.306 1.00 73.11 O ATOM 1886 OE2 GLU A 138 -15.029 -1.654 9.442 1.00 31.21 O ATOM 0 HA GLU A 138 -10.548 -2.187 7.223 1.00 2.52 H new ATOM 0 HB2 GLU A 138 -12.409 -3.079 9.478 1.00 24.22 H new ATOM 0 HB3 GLU A 138 -11.191 -1.826 9.615 1.00 24.22 H new ATOM 0 HG2 GLU A 138 -12.376 -0.339 8.200 1.00 25.15 H new ATOM 0 HG3 GLU A 138 -13.365 -1.618 7.522 1.00 25.15 H new ATOM 1893 N ARG A 139 -8.794 -3.511 8.413 1.00 24.01 N ATOM 1894 CA ARG A 139 -7.713 -4.374 8.919 1.00 42.35 C ATOM 1895 C ARG A 139 -6.704 -3.588 9.779 1.00 21.15 C ATOM 1896 O ARG A 139 -6.097 -2.625 9.319 1.00 12.42 O ATOM 1897 CB ARG A 139 -6.980 -5.036 7.742 1.00 13.40 C ATOM 1898 CG ARG A 139 -5.767 -5.881 8.143 1.00 4.03 C ATOM 1899 CD ARG A 139 -6.150 -7.227 8.759 1.00 33.24 C ATOM 1900 NE ARG A 139 -6.871 -7.088 10.026 1.00 45.22 N ATOM 1901 CZ ARG A 139 -6.351 -7.335 11.198 1.00 24.52 C ATOM 1902 NH1 ARG A 139 -5.115 -7.706 11.318 1.00 33.31 N ATOM 1903 NH2 ARG A 139 -7.076 -7.201 12.260 1.00 50.23 N ATOM 0 H ARG A 139 -8.489 -2.583 8.119 1.00 24.01 H new ATOM 0 HA ARG A 139 -8.169 -5.136 9.551 1.00 42.35 H new ATOM 0 HB2 ARG A 139 -7.684 -5.668 7.201 1.00 13.40 H new ATOM 0 HB3 ARG A 139 -6.653 -4.259 7.051 1.00 13.40 H new ATOM 0 HG2 ARG A 139 -5.146 -6.054 7.264 1.00 4.03 H new ATOM 0 HG3 ARG A 139 -5.162 -5.321 8.856 1.00 4.03 H new ATOM 0 HD2 ARG A 139 -6.769 -7.781 8.053 1.00 33.24 H new ATOM 0 HD3 ARG A 139 -5.248 -7.816 8.923 1.00 33.24 H new ATOM 0 HE ARG A 139 -7.842 -6.778 9.991 1.00 45.22 H new ATOM 0 HH11 ARG A 139 -4.531 -7.809 10.488 1.00 33.31 H new ATOM 0 HH12 ARG A 139 -4.727 -7.894 12.242 1.00 33.31 H new ATOM 0 HH21 ARG A 139 -8.048 -6.904 12.179 1.00 50.23 H new ATOM 0 HH22 ARG A 139 -6.676 -7.392 13.178 1.00 50.23 H new ATOM 1917 N THR A 140 -6.518 -4.022 11.021 1.00 21.22 N ATOM 1918 CA THR A 140 -5.528 -3.409 11.922 1.00 4.33 C ATOM 1919 C THR A 140 -4.287 -4.303 12.055 1.00 2.52 C ATOM 1920 O THR A 140 -4.282 -5.271 12.818 1.00 60.40 O ATOM 1921 CB THR A 140 -6.112 -3.146 13.334 1.00 5.41 C ATOM 1922 OG1 THR A 140 -7.280 -2.309 13.242 1.00 60.10 O ATOM 1923 CG2 THR A 140 -5.075 -2.492 14.246 1.00 11.04 C ATOM 0 H THR A 140 -7.037 -4.797 11.434 1.00 21.22 H new ATOM 0 HA THR A 140 -5.250 -2.453 11.478 1.00 4.33 H new ATOM 0 HB THR A 140 -6.391 -4.107 13.766 1.00 5.41 H new ATOM 0 HG1 THR A 140 -7.079 -1.424 13.613 1.00 60.10 H new ATOM 0 HG21 THR A 140 -5.513 -2.319 15.229 1.00 11.04 H new ATOM 0 HG22 THR A 140 -4.211 -3.149 14.344 1.00 11.04 H new ATOM 0 HG23 THR A 140 -4.761 -1.541 13.816 1.00 11.04 H new ATOM 1931 N ILE A 141 -3.242 -3.981 11.299 1.00 51.15 N ATOM 1932 CA ILE A 141 -2.010 -4.775 11.297 1.00 21.41 C ATOM 1933 C ILE A 141 -1.123 -4.454 12.510 1.00 54.43 C ATOM 1934 O ILE A 141 -0.822 -3.292 12.787 1.00 0.23 O ATOM 1935 CB ILE A 141 -1.210 -4.548 9.987 1.00 34.54 C ATOM 1936 CG1 ILE A 141 -2.056 -4.974 8.774 1.00 0.45 C ATOM 1937 CG2 ILE A 141 0.115 -5.310 10.020 1.00 21.43 C ATOM 1938 CD1 ILE A 141 -1.373 -4.767 7.438 1.00 33.43 C ATOM 0 H ILE A 141 -3.220 -3.173 10.676 1.00 51.15 H new ATOM 0 HA ILE A 141 -2.305 -5.823 11.359 1.00 21.41 H new ATOM 0 HB ILE A 141 -0.981 -3.486 9.897 1.00 34.54 H new ATOM 0 HG12 ILE A 141 -2.315 -6.028 8.878 1.00 0.45 H new ATOM 0 HG13 ILE A 141 -2.991 -4.414 8.782 1.00 0.45 H new ATOM 0 HG21 ILE A 141 0.658 -5.136 9.091 1.00 21.43 H new ATOM 0 HG22 ILE A 141 0.714 -4.962 10.862 1.00 21.43 H new ATOM 0 HG23 ILE A 141 -0.081 -6.376 10.131 1.00 21.43 H new ATOM 0 HD11 ILE A 141 -2.036 -5.092 6.636 1.00 33.43 H new ATOM 0 HD12 ILE A 141 -1.139 -3.710 7.309 1.00 33.43 H new ATOM 0 HD13 ILE A 141 -0.452 -5.349 7.406 1.00 33.43 H new ATOM 1950 N SER A 142 -0.706 -5.496 13.225 1.00 11.44 N ATOM 1951 CA SER A 142 0.136 -5.335 14.416 1.00 75.41 C ATOM 1952 C SER A 142 1.535 -4.809 14.052 1.00 31.01 C ATOM 1953 O SER A 142 2.074 -5.134 12.995 1.00 20.53 O ATOM 1954 CB SER A 142 0.257 -6.668 15.166 1.00 0.43 C ATOM 1955 OG SER A 142 -1.020 -7.189 15.508 1.00 44.22 O ATOM 0 H SER A 142 -0.936 -6.465 13.003 1.00 11.44 H new ATOM 0 HA SER A 142 -0.343 -4.599 15.062 1.00 75.41 H new ATOM 0 HB2 SER A 142 0.791 -7.388 14.547 1.00 0.43 H new ATOM 0 HB3 SER A 142 0.848 -6.526 16.071 1.00 0.43 H new ATOM 0 HG SER A 142 -0.910 -8.039 15.983 1.00 44.22 H new ATOM 1961 N ALA A 143 2.121 -4.015 14.953 1.00 10.31 N ATOM 1962 CA ALA A 143 3.433 -3.381 14.725 1.00 0.42 C ATOM 1963 C ALA A 143 4.502 -4.387 14.268 1.00 52.22 C ATOM 1964 O ALA A 143 5.229 -4.140 13.303 1.00 13.24 O ATOM 1965 CB ALA A 143 3.890 -2.662 15.993 1.00 13.12 C ATOM 0 H ALA A 143 1.706 -3.791 15.858 1.00 10.31 H new ATOM 0 HA ALA A 143 3.310 -2.660 13.917 1.00 0.42 H new ATOM 0 HB1 ALA A 143 4.860 -2.196 15.818 1.00 13.12 H new ATOM 0 HB2 ALA A 143 3.162 -1.896 16.259 1.00 13.12 H new ATOM 0 HB3 ALA A 143 3.975 -3.381 16.808 1.00 13.12 H new ATOM 1971 N GLY A 144 4.588 -5.522 14.962 1.00 35.31 N ATOM 1972 CA GLY A 144 5.563 -6.554 14.610 1.00 40.52 C ATOM 1973 C GLY A 144 5.435 -7.037 13.167 1.00 25.50 C ATOM 1974 O GLY A 144 6.434 -7.356 12.517 1.00 71.20 O ATOM 0 H GLY A 144 4.000 -5.749 15.764 1.00 35.31 H new ATOM 0 HA2 GLY A 144 6.568 -6.163 14.768 1.00 40.52 H new ATOM 0 HA3 GLY A 144 5.442 -7.403 15.282 1.00 40.52 H new ATOM 1978 N GLU A 145 4.203 -7.084 12.666 1.00 5.43 N ATOM 1979 CA GLU A 145 3.936 -7.502 11.285 1.00 72.31 C ATOM 1980 C GLU A 145 4.124 -6.328 10.305 1.00 43.34 C ATOM 1981 O GLU A 145 4.593 -6.507 9.182 1.00 73.44 O ATOM 1982 CB GLU A 145 2.506 -8.055 11.184 1.00 3.54 C ATOM 1983 CG GLU A 145 2.145 -8.617 9.812 1.00 24.32 C ATOM 1984 CD GLU A 145 0.720 -9.143 9.751 1.00 65.10 C ATOM 1985 OE1 GLU A 145 0.444 -10.191 10.369 1.00 42.31 O ATOM 1986 OE2 GLU A 145 -0.131 -8.516 9.087 1.00 11.51 O ATOM 0 H GLU A 145 3.367 -6.837 13.196 1.00 5.43 H new ATOM 0 HA GLU A 145 4.647 -8.282 11.013 1.00 72.31 H new ATOM 0 HB2 GLU A 145 2.379 -8.840 11.930 1.00 3.54 H new ATOM 0 HB3 GLU A 145 1.803 -7.260 11.434 1.00 3.54 H new ATOM 0 HG2 GLU A 145 2.273 -7.839 9.060 1.00 24.32 H new ATOM 0 HG3 GLU A 145 2.836 -9.421 9.560 1.00 24.32 H new ATOM 1993 N ALA A 146 3.783 -5.120 10.757 1.00 2.24 N ATOM 1994 CA ALA A 146 3.884 -3.907 9.929 1.00 15.54 C ATOM 1995 C ALA A 146 5.332 -3.586 9.520 1.00 25.32 C ATOM 1996 O ALA A 146 5.574 -2.732 8.666 1.00 63.23 O ATOM 1997 CB ALA A 146 3.271 -2.725 10.672 1.00 13.34 C ATOM 0 H ALA A 146 3.431 -4.951 11.699 1.00 2.24 H new ATOM 0 HA ALA A 146 3.331 -4.095 9.008 1.00 15.54 H new ATOM 0 HB1 ALA A 146 3.348 -1.829 10.056 1.00 13.34 H new ATOM 0 HB2 ALA A 146 2.222 -2.932 10.883 1.00 13.34 H new ATOM 0 HB3 ALA A 146 3.805 -2.568 11.609 1.00 13.34 H new ATOM 2003 N SER A 147 6.290 -4.277 10.129 1.00 43.04 N ATOM 2004 CA SER A 147 7.717 -4.054 9.847 1.00 40.22 C ATOM 2005 C SER A 147 8.150 -4.667 8.505 1.00 44.54 C ATOM 2006 O SER A 147 9.159 -4.258 7.924 1.00 14.25 O ATOM 2007 CB SER A 147 8.570 -4.647 10.975 1.00 40.12 C ATOM 2008 OG SER A 147 9.954 -4.482 10.717 1.00 21.33 O ATOM 0 H SER A 147 6.110 -5.001 10.825 1.00 43.04 H new ATOM 0 HA SER A 147 7.869 -2.976 9.784 1.00 40.22 H new ATOM 0 HB2 SER A 147 8.314 -4.165 11.919 1.00 40.12 H new ATOM 0 HB3 SER A 147 8.343 -5.707 11.086 1.00 40.12 H new ATOM 0 HG SER A 147 10.472 -4.868 11.454 1.00 21.33 H new ATOM 2014 N SER A 148 7.386 -5.644 8.017 1.00 60.33 N ATOM 2015 CA SER A 148 7.744 -6.373 6.788 1.00 22.41 C ATOM 2016 C SER A 148 7.307 -5.628 5.519 1.00 45.03 C ATOM 2017 O SER A 148 7.971 -5.701 4.482 1.00 3.13 O ATOM 2018 CB SER A 148 7.101 -7.764 6.796 1.00 52.01 C ATOM 2019 OG SER A 148 5.685 -7.674 6.787 1.00 5.34 O ATOM 0 H SER A 148 6.515 -5.953 8.449 1.00 60.33 H new ATOM 0 HA SER A 148 8.831 -6.456 6.773 1.00 22.41 H new ATOM 0 HB2 SER A 148 7.438 -8.328 5.926 1.00 52.01 H new ATOM 0 HB3 SER A 148 7.428 -8.314 7.679 1.00 52.01 H new ATOM 0 HG SER A 148 5.373 -7.346 7.656 1.00 5.34 H new ATOM 2025 N TYR A 149 6.187 -4.920 5.605 1.00 54.52 N ATOM 2026 CA TYR A 149 5.601 -4.248 4.441 1.00 75.21 C ATOM 2027 C TYR A 149 6.434 -3.038 3.984 1.00 2.21 C ATOM 2028 O TYR A 149 7.041 -2.337 4.795 1.00 52.01 O ATOM 2029 CB TYR A 149 4.172 -3.795 4.763 1.00 35.21 C ATOM 2030 CG TYR A 149 3.252 -4.916 5.223 1.00 73.40 C ATOM 2031 CD1 TYR A 149 2.671 -5.784 4.308 1.00 52.22 C ATOM 2032 CD2 TYR A 149 2.962 -5.099 6.570 1.00 34.51 C ATOM 2033 CE1 TYR A 149 1.831 -6.803 4.723 1.00 22.00 C ATOM 2034 CE2 TYR A 149 2.123 -6.114 6.991 1.00 2.21 C ATOM 2035 CZ TYR A 149 1.561 -6.963 6.064 1.00 72.14 C ATOM 2036 OH TYR A 149 0.728 -7.981 6.479 1.00 60.14 O ATOM 0 H TYR A 149 5.661 -4.793 6.470 1.00 54.52 H new ATOM 0 HA TYR A 149 5.590 -4.969 3.624 1.00 75.21 H new ATOM 0 HB2 TYR A 149 4.211 -3.031 5.539 1.00 35.21 H new ATOM 0 HB3 TYR A 149 3.742 -3.328 3.877 1.00 35.21 H new ATOM 0 HD1 TYR A 149 2.878 -5.662 3.255 1.00 52.22 H new ATOM 0 HD2 TYR A 149 3.400 -4.436 7.301 1.00 34.51 H new ATOM 0 HE1 TYR A 149 1.389 -7.470 3.998 1.00 22.00 H new ATOM 0 HE2 TYR A 149 1.909 -6.240 8.042 1.00 2.21 H new ATOM 0 HH TYR A 149 0.604 -7.927 7.450 1.00 60.14 H new ATOM 2046 N ASN A 150 6.458 -2.806 2.675 1.00 55.20 N ATOM 2047 CA ASN A 150 7.125 -1.630 2.106 1.00 34.22 C ATOM 2048 C ASN A 150 6.090 -0.555 1.748 1.00 13.05 C ATOM 2049 O ASN A 150 5.256 -0.761 0.868 1.00 50.30 O ATOM 2050 CB ASN A 150 7.916 -2.025 0.855 1.00 32.21 C ATOM 2051 CG ASN A 150 8.839 -3.202 1.105 1.00 64.44 C ATOM 2052 OD1 ASN A 150 9.989 -3.035 1.497 1.00 33.34 O ATOM 2053 ND2 ASN A 150 8.342 -4.403 0.894 1.00 71.55 N ATOM 0 H ASN A 150 6.023 -3.416 1.983 1.00 55.20 H new ATOM 0 HA ASN A 150 7.813 -1.227 2.849 1.00 34.22 H new ATOM 0 HB2 ASN A 150 7.222 -2.275 0.053 1.00 32.21 H new ATOM 0 HB3 ASN A 150 8.503 -1.172 0.515 1.00 32.21 H new ATOM 0 HD21 ASN A 150 8.918 -5.229 1.057 1.00 71.55 H new ATOM 0 HD22 ASN A 150 7.381 -4.507 0.568 1.00 71.55 H new ATOM 2060 N TYR A 151 6.145 0.584 2.428 1.00 42.30 N ATOM 2061 CA TYR A 151 5.138 1.638 2.252 1.00 53.33 C ATOM 2062 C TYR A 151 5.536 2.649 1.163 1.00 33.12 C ATOM 2063 O TYR A 151 6.525 3.375 1.300 1.00 52.50 O ATOM 2064 CB TYR A 151 4.900 2.374 3.582 1.00 23.13 C ATOM 2065 CG TYR A 151 4.394 1.479 4.702 1.00 34.02 C ATOM 2066 CD1 TYR A 151 5.217 0.513 5.273 1.00 61.34 C ATOM 2067 CD2 TYR A 151 3.093 1.592 5.180 1.00 14.41 C ATOM 2068 CE1 TYR A 151 4.761 -0.308 6.286 1.00 31.43 C ATOM 2069 CE2 TYR A 151 2.630 0.774 6.193 1.00 11.21 C ATOM 2070 CZ TYR A 151 3.469 -0.174 6.741 1.00 14.41 C ATOM 2071 OH TYR A 151 3.009 -0.993 7.746 1.00 53.35 O ATOM 0 H TYR A 151 6.873 0.807 3.107 1.00 42.30 H new ATOM 0 HA TYR A 151 4.217 1.151 1.930 1.00 53.33 H new ATOM 0 HB2 TYR A 151 5.832 2.842 3.898 1.00 23.13 H new ATOM 0 HB3 TYR A 151 4.180 3.176 3.418 1.00 23.13 H new ATOM 0 HD1 TYR A 151 6.231 0.403 4.918 1.00 61.34 H new ATOM 0 HD2 TYR A 151 2.433 2.332 4.752 1.00 14.41 H new ATOM 0 HE1 TYR A 151 5.415 -1.051 6.719 1.00 31.43 H new ATOM 0 HE2 TYR A 151 1.617 0.876 6.554 1.00 11.21 H new ATOM 0 HH TYR A 151 3.681 -1.679 7.942 1.00 53.35 H new ATOM 2081 N ILE A 152 4.763 2.691 0.081 1.00 24.50 N ATOM 2082 CA ILE A 152 4.953 3.697 -0.965 1.00 74.51 C ATOM 2083 C ILE A 152 4.268 5.013 -0.552 1.00 1.24 C ATOM 2084 O ILE A 152 3.037 5.107 -0.541 1.00 23.34 O ATOM 2085 CB ILE A 152 4.393 3.234 -2.343 1.00 74.21 C ATOM 2086 CG1 ILE A 152 5.048 1.911 -2.809 1.00 14.44 C ATOM 2087 CG2 ILE A 152 4.594 4.329 -3.396 1.00 32.15 C ATOM 2088 CD1 ILE A 152 4.539 0.671 -2.101 1.00 13.40 C ATOM 0 H ILE A 152 3.998 2.040 -0.096 1.00 24.50 H new ATOM 0 HA ILE A 152 6.027 3.846 -1.078 1.00 74.51 H new ATOM 0 HB ILE A 152 3.325 3.050 -2.222 1.00 74.21 H new ATOM 0 HG12 ILE A 152 4.881 1.796 -3.880 1.00 14.44 H new ATOM 0 HG13 ILE A 152 6.125 1.982 -2.660 1.00 14.44 H new ATOM 0 HG21 ILE A 152 4.198 3.990 -4.353 1.00 32.15 H new ATOM 0 HG22 ILE A 152 4.070 5.233 -3.086 1.00 32.15 H new ATOM 0 HG23 ILE A 152 5.658 4.544 -3.499 1.00 32.15 H new ATOM 0 HD11 ILE A 152 5.053 -0.207 -2.491 1.00 13.40 H new ATOM 0 HD12 ILE A 152 4.730 0.758 -1.031 1.00 13.40 H new ATOM 0 HD13 ILE A 152 3.467 0.569 -2.271 1.00 13.40 H new ATOM 2100 N HIS A 153 5.069 6.016 -0.201 1.00 43.13 N ATOM 2101 CA HIS A 153 4.552 7.296 0.295 1.00 40.15 C ATOM 2102 C HIS A 153 4.450 8.328 -0.833 1.00 32.13 C ATOM 2103 O HIS A 153 5.431 8.606 -1.525 1.00 52.44 O ATOM 2104 CB HIS A 153 5.456 7.845 1.407 1.00 34.23 C ATOM 2105 CG HIS A 153 5.553 6.959 2.608 1.00 2.11 C ATOM 2106 ND1 HIS A 153 4.680 7.029 3.669 1.00 12.51 N ATOM 2107 CD2 HIS A 153 6.435 5.981 2.916 1.00 22.53 C ATOM 2108 CE1 HIS A 153 5.019 6.143 4.577 1.00 3.21 C ATOM 2109 NE2 HIS A 153 6.081 5.491 4.148 1.00 52.54 N ATOM 0 H HIS A 153 6.087 5.969 -0.250 1.00 43.13 H new ATOM 0 HA HIS A 153 3.554 7.115 0.694 1.00 40.15 H new ATOM 0 HB2 HIS A 153 6.456 8.002 1.003 1.00 34.23 H new ATOM 0 HB3 HIS A 153 5.081 8.820 1.717 1.00 34.23 H new ATOM 0 HD2 HIS A 153 7.262 5.648 2.307 1.00 22.53 H new ATOM 0 HE1 HIS A 153 4.513 5.977 5.517 1.00 3.21 H new ATOM 0 HE2 HIS A 153 6.561 4.744 4.650 1.00 52.54 H new ATOM 2118 N LEU A 154 3.264 8.898 -1.010 1.00 60.03 N ATOM 2119 CA LEU A 154 3.054 9.923 -2.031 1.00 42.41 C ATOM 2120 C LEU A 154 3.299 11.328 -1.461 1.00 34.30 C ATOM 2121 O LEU A 154 2.407 11.936 -0.867 1.00 21.43 O ATOM 2122 CB LEU A 154 1.633 9.831 -2.606 1.00 72.33 C ATOM 2123 CG LEU A 154 1.252 8.472 -3.209 1.00 61.30 C ATOM 2124 CD1 LEU A 154 -0.110 8.552 -3.892 1.00 34.41 C ATOM 2125 CD2 LEU A 154 2.322 7.984 -4.184 1.00 61.33 C ATOM 0 H LEU A 154 2.434 8.670 -0.463 1.00 60.03 H new ATOM 0 HA LEU A 154 3.771 9.746 -2.832 1.00 42.41 H new ATOM 0 HB2 LEU A 154 0.923 10.070 -1.814 1.00 72.33 H new ATOM 0 HB3 LEU A 154 1.521 10.595 -3.375 1.00 72.33 H new ATOM 0 HG LEU A 154 1.186 7.748 -2.397 1.00 61.30 H new ATOM 0 HD11 LEU A 154 -0.363 7.579 -4.314 1.00 34.41 H new ATOM 0 HD12 LEU A 154 -0.867 8.839 -3.162 1.00 34.41 H new ATOM 0 HD13 LEU A 154 -0.074 9.295 -4.689 1.00 34.41 H new ATOM 0 HD21 LEU A 154 2.026 7.019 -4.596 1.00 61.33 H new ATOM 0 HD22 LEU A 154 2.433 8.706 -4.993 1.00 61.33 H new ATOM 0 HD23 LEU A 154 3.272 7.878 -3.659 1.00 61.33 H new