USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=28 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= -0.091 K(o=0.81,f=-4.1!) USER MOD Set 1.2: A 150 ASN : amide:sc= 0.898 K(o=0.81,f=-1.3) USER MOD Set 2.1: A 62 TYR OH : rot 180:sc= 0.494 USER MOD Set 2.2: A 71 SER OG : rot -112:sc= 1.62 USER MOD Set 3.1: A 60 TYR OH : rot 80:sc= -0.397 USER MOD Set 3.2: A 125 SER OG : rot -121:sc= 0.396 USER MOD Set 4.1: A 57 CYS SG : rot -120:sc= 0.152 USER MOD Set 4.2: A 109 HIS : no HE2:sc= 0.215 K(o=0.37,f=-4.2) USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00296 USER MOD Single : A 56 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.43) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00871 USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 0.179 (180deg=0.17) USER MOD Single : A 68 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 72 THR OG1 : rot -40:sc= 0.939 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 78 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.015) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.224 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -2.29! K(o=-2.3!,f=0) USER MOD Single : A 92 ASN : amide:sc= 0.343 X(o=0.34,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -101:sc= 0.886 USER MOD Single : A 102 SER OG : rot -71:sc= 0.00368 USER MOD Single : A 112 TYR OH : rot -30:sc= -0.486 USER MOD Single : A 115 ASN : amide:sc= 0.441 X(o=0.44,f=-0.059) USER MOD Single : A 117 ASN : amide:sc= 0.936 K(o=0.94,f=0) 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 171:sc= 0 (180deg=-0.112) USER MOD Single : A 140 THR OG1 : rot 180:sc= -0.062 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 147 SER OG : rot 75:sc= 0.346 USER MOD Single : A 148 SER OG : rot -21:sc= 0.284 USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 TYR OH : rot -140:sc= -1 USER MOD Single : A 153 HIS : no HD1:sc= 0.483 K(o=0.48,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 723 N THR A 53 -7.540 -4.992 -12.828 1.00 33.41 N ATOM 724 CA THR A 53 -8.839 -5.659 -13.021 1.00 44.42 C ATOM 725 C THR A 53 -9.699 -5.599 -11.752 1.00 32.32 C ATOM 726 O THR A 53 -9.177 -5.593 -10.637 1.00 61.12 O ATOM 727 CB THR A 53 -8.666 -7.140 -13.446 1.00 41.01 C ATOM 728 OG1 THR A 53 -9.947 -7.789 -13.539 1.00 14.34 O ATOM 729 CG2 THR A 53 -7.781 -7.898 -12.462 1.00 0.33 C ATOM 0 HA THR A 53 -9.345 -5.118 -13.820 1.00 44.42 H new ATOM 0 HB THR A 53 -8.184 -7.148 -14.424 1.00 41.01 H new ATOM 0 HG1 THR A 53 -9.822 -8.722 -13.810 1.00 14.34 H new ATOM 0 HG21 THR A 53 -7.679 -8.933 -12.787 1.00 0.33 H new ATOM 0 HG22 THR A 53 -6.797 -7.431 -12.423 1.00 0.33 H new ATOM 0 HG23 THR A 53 -8.234 -7.872 -11.471 1.00 0.33 H new ATOM 737 N ALA A 54 -11.019 -5.582 -11.934 1.00 1.45 N ATOM 738 CA ALA A 54 -11.966 -5.411 -10.823 1.00 10.24 C ATOM 739 C ALA A 54 -11.901 -6.564 -9.803 1.00 62.32 C ATOM 740 O ALA A 54 -11.453 -7.669 -10.117 1.00 71.15 O ATOM 741 CB ALA A 54 -13.380 -5.259 -11.376 1.00 74.41 C ATOM 0 H ALA A 54 -11.463 -5.685 -12.846 1.00 1.45 H new ATOM 0 HA ALA A 54 -11.682 -4.507 -10.284 1.00 10.24 H new ATOM 0 HB1 ALA A 54 -14.081 -5.132 -10.551 1.00 74.41 H new ATOM 0 HB2 ALA A 54 -13.424 -4.386 -12.027 1.00 74.41 H new ATOM 0 HB3 ALA A 54 -13.646 -6.150 -11.945 1.00 74.41 H new ATOM 747 N GLY A 55 -12.333 -6.289 -8.574 1.00 53.45 N ATOM 748 CA GLY A 55 -12.344 -7.305 -7.523 1.00 52.43 C ATOM 749 C GLY A 55 -11.011 -7.449 -6.791 1.00 22.41 C ATOM 750 O GLY A 55 -10.983 -7.729 -5.591 1.00 31.30 O ATOM 0 H GLY A 55 -12.679 -5.375 -8.282 1.00 53.45 H new ATOM 0 HA2 GLY A 55 -13.120 -7.057 -6.799 1.00 52.43 H new ATOM 0 HA3 GLY A 55 -12.612 -8.266 -7.962 1.00 52.43 H new ATOM 754 N GLN A 56 -9.904 -7.255 -7.507 1.00 50.05 N ATOM 755 CA GLN A 56 -8.566 -7.441 -6.931 1.00 75.34 C ATOM 756 C GLN A 56 -8.163 -6.281 -6.008 1.00 34.41 C ATOM 757 O GLN A 56 -8.580 -5.137 -6.200 1.00 74.53 O ATOM 758 CB GLN A 56 -7.525 -7.599 -8.051 1.00 71.34 C ATOM 759 CG GLN A 56 -7.856 -8.713 -9.041 1.00 0.22 C ATOM 760 CD GLN A 56 -7.998 -10.077 -8.385 1.00 43.04 C ATOM 761 OE1 GLN A 56 -7.354 -10.372 -7.383 1.00 60.25 O ATOM 762 NE2 GLN A 56 -8.847 -10.918 -8.941 1.00 72.24 N ATOM 0 H GLN A 56 -9.904 -6.969 -8.486 1.00 50.05 H new ATOM 0 HA GLN A 56 -8.599 -8.347 -6.326 1.00 75.34 H new ATOM 0 HB2 GLN A 56 -7.440 -6.657 -8.592 1.00 71.34 H new ATOM 0 HB3 GLN A 56 -6.551 -7.799 -7.605 1.00 71.34 H new ATOM 0 HG2 GLN A 56 -8.784 -8.467 -9.557 1.00 0.22 H new ATOM 0 HG3 GLN A 56 -7.073 -8.761 -9.798 1.00 0.22 H new ATOM 0 HE21 GLN A 56 -9.367 -10.642 -9.774 1.00 72.24 H new ATOM 0 HE22 GLN A 56 -8.984 -11.845 -8.538 1.00 72.24 H new ATOM 771 N CYS A 57 -7.328 -6.587 -5.014 1.00 51.43 N ATOM 772 CA CYS A 57 -6.838 -5.575 -4.064 1.00 75.25 C ATOM 773 C CYS A 57 -6.141 -4.412 -4.785 1.00 64.31 C ATOM 774 O CYS A 57 -6.302 -3.252 -4.408 1.00 52.43 O ATOM 775 CB CYS A 57 -5.874 -6.209 -3.050 1.00 55.00 C ATOM 776 SG CYS A 57 -4.436 -7.021 -3.789 1.00 74.43 S ATOM 0 H CYS A 57 -6.974 -7.528 -4.842 1.00 51.43 H new ATOM 0 HA CYS A 57 -7.705 -5.178 -3.537 1.00 75.25 H new ATOM 0 HB2 CYS A 57 -5.527 -5.435 -2.365 1.00 55.00 H new ATOM 0 HB3 CYS A 57 -6.422 -6.939 -2.454 1.00 55.00 H new ATOM 0 HG CYS A 57 -4.431 -8.279 -3.460 1.00 74.43 H new ATOM 782 N THR A 58 -5.373 -4.732 -5.824 1.00 63.22 N ATOM 783 CA THR A 58 -4.699 -3.710 -6.644 1.00 43.03 C ATOM 784 C THR A 58 -5.695 -2.678 -7.195 1.00 60.32 C ATOM 785 O THR A 58 -5.430 -1.475 -7.187 1.00 21.22 O ATOM 786 CB THR A 58 -3.944 -4.349 -7.832 1.00 22.05 C ATOM 787 OG1 THR A 58 -4.863 -5.074 -8.665 1.00 32.25 O ATOM 788 CG2 THR A 58 -2.844 -5.289 -7.347 1.00 15.45 C ATOM 0 H THR A 58 -5.197 -5.691 -6.124 1.00 63.22 H new ATOM 0 HA THR A 58 -3.988 -3.209 -5.987 1.00 43.03 H new ATOM 0 HB THR A 58 -3.482 -3.546 -8.407 1.00 22.05 H new ATOM 0 HG1 THR A 58 -4.378 -5.474 -9.416 1.00 32.25 H new ATOM 0 HG21 THR A 58 -2.331 -5.723 -8.206 1.00 15.45 H new ATOM 0 HG22 THR A 58 -2.130 -4.731 -6.741 1.00 15.45 H new ATOM 0 HG23 THR A 58 -3.284 -6.085 -6.747 1.00 15.45 H new ATOM 796 N TRP A 59 -6.840 -3.166 -7.669 1.00 34.23 N ATOM 797 CA TRP A 59 -7.918 -2.305 -8.180 1.00 33.33 C ATOM 798 C TRP A 59 -8.477 -1.388 -7.075 1.00 41.42 C ATOM 799 O TRP A 59 -8.591 -0.173 -7.251 1.00 33.55 O ATOM 800 CB TRP A 59 -9.037 -3.181 -8.759 1.00 51.22 C ATOM 801 CG TRP A 59 -10.196 -2.414 -9.325 1.00 43.41 C ATOM 802 CD1 TRP A 59 -10.271 -1.843 -10.563 1.00 21.45 C ATOM 803 CD2 TRP A 59 -11.451 -2.147 -8.683 1.00 62.15 C ATOM 804 NE1 TRP A 59 -11.491 -1.235 -10.726 1.00 55.10 N ATOM 805 CE2 TRP A 59 -12.232 -1.405 -9.587 1.00 33.31 C ATOM 806 CE3 TRP A 59 -11.988 -2.456 -7.426 1.00 74.13 C ATOM 807 CZ2 TRP A 59 -13.523 -0.976 -9.282 1.00 73.45 C ATOM 808 CZ3 TRP A 59 -13.268 -2.029 -7.124 1.00 11.35 C ATOM 809 CH2 TRP A 59 -14.021 -1.295 -8.045 1.00 31.10 C ATOM 0 H TRP A 59 -7.051 -4.163 -7.712 1.00 34.23 H new ATOM 0 HA TRP A 59 -7.509 -1.666 -8.963 1.00 33.33 H new ATOM 0 HB2 TRP A 59 -8.618 -3.813 -9.542 1.00 51.22 H new ATOM 0 HB3 TRP A 59 -9.404 -3.845 -7.976 1.00 51.22 H new ATOM 0 HD1 TRP A 59 -9.486 -1.866 -11.305 1.00 21.45 H new ATOM 0 HE1 TRP A 59 -11.797 -0.736 -11.562 1.00 55.10 H new ATOM 0 HE3 TRP A 59 -11.412 -3.018 -6.706 1.00 74.13 H new ATOM 0 HZ2 TRP A 59 -14.109 -0.413 -9.994 1.00 73.45 H new ATOM 0 HZ3 TRP A 59 -13.693 -2.267 -6.160 1.00 11.35 H new ATOM 0 HH2 TRP A 59 -15.016 -0.972 -7.777 1.00 31.10 H new ATOM 820 N TYR A 60 -8.814 -1.991 -5.938 1.00 24.42 N ATOM 821 CA TYR A 60 -9.362 -1.258 -4.789 1.00 55.32 C ATOM 822 C TYR A 60 -8.396 -0.171 -4.290 1.00 51.54 C ATOM 823 O TYR A 60 -8.764 1.002 -4.185 1.00 44.23 O ATOM 824 CB TYR A 60 -9.692 -2.248 -3.658 1.00 62.12 C ATOM 825 CG TYR A 60 -10.060 -1.590 -2.339 1.00 63.31 C ATOM 826 CD1 TYR A 60 -11.268 -0.915 -2.185 1.00 61.42 C ATOM 827 CD2 TYR A 60 -9.191 -1.634 -1.253 1.00 2.41 C ATOM 828 CE1 TYR A 60 -11.595 -0.308 -0.988 1.00 1.32 C ATOM 829 CE2 TYR A 60 -9.512 -1.026 -0.059 1.00 25.41 C ATOM 830 CZ TYR A 60 -10.711 -0.366 0.071 1.00 3.50 C ATOM 831 OH TYR A 60 -11.022 0.249 1.260 1.00 34.34 O ATOM 0 H TYR A 60 -8.718 -2.994 -5.783 1.00 24.42 H new ATOM 0 HA TYR A 60 -10.273 -0.754 -5.110 1.00 55.32 H new ATOM 0 HB2 TYR A 60 -10.518 -2.883 -3.977 1.00 62.12 H new ATOM 0 HB3 TYR A 60 -8.832 -2.899 -3.499 1.00 62.12 H new ATOM 0 HD1 TYR A 60 -11.959 -0.865 -3.013 1.00 61.42 H new ATOM 0 HD2 TYR A 60 -8.249 -2.154 -1.348 1.00 2.41 H new ATOM 0 HE1 TYR A 60 -12.537 0.209 -0.881 1.00 1.32 H new ATOM 0 HE2 TYR A 60 -8.824 -1.068 0.772 1.00 25.41 H new ATOM 0 HH TYR A 60 -11.635 -0.319 1.772 1.00 34.34 H new ATOM 841 N VAL A 61 -7.159 -0.563 -3.993 1.00 40.30 N ATOM 842 CA VAL A 61 -6.148 0.379 -3.497 1.00 73.24 C ATOM 843 C VAL A 61 -5.875 1.498 -4.514 1.00 44.33 C ATOM 844 O VAL A 61 -5.622 2.644 -4.138 1.00 35.00 O ATOM 845 CB VAL A 61 -4.823 -0.345 -3.155 1.00 61.12 C ATOM 846 CG1 VAL A 61 -3.787 0.633 -2.602 1.00 60.33 C ATOM 847 CG2 VAL A 61 -5.072 -1.480 -2.166 1.00 23.42 C ATOM 0 H VAL A 61 -6.829 -1.524 -4.086 1.00 40.30 H new ATOM 0 HA VAL A 61 -6.551 0.824 -2.587 1.00 73.24 H new ATOM 0 HB VAL A 61 -4.425 -0.770 -4.076 1.00 61.12 H new ATOM 0 HG11 VAL A 61 -2.867 0.096 -2.371 1.00 60.33 H new ATOM 0 HG12 VAL A 61 -3.581 1.403 -3.345 1.00 60.33 H new ATOM 0 HG13 VAL A 61 -4.173 1.098 -1.695 1.00 60.33 H new ATOM 0 HG21 VAL A 61 -4.129 -1.977 -1.938 1.00 23.42 H new ATOM 0 HG22 VAL A 61 -5.501 -1.076 -1.249 1.00 23.42 H new ATOM 0 HG23 VAL A 61 -5.764 -2.199 -2.604 1.00 23.42 H new ATOM 857 N TYR A 62 -5.939 1.159 -5.800 1.00 2.11 N ATOM 858 CA TYR A 62 -5.752 2.141 -6.874 1.00 35.23 C ATOM 859 C TYR A 62 -6.729 3.319 -6.737 1.00 30.35 C ATOM 860 O TYR A 62 -6.333 4.487 -6.826 1.00 10.25 O ATOM 861 CB TYR A 62 -5.932 1.464 -8.236 1.00 75.11 C ATOM 862 CG TYR A 62 -5.785 2.412 -9.412 1.00 14.04 C ATOM 863 CD1 TYR A 62 -4.534 2.881 -9.793 1.00 12.04 C ATOM 864 CD2 TYR A 62 -6.895 2.842 -10.135 1.00 1.25 C ATOM 865 CE1 TYR A 62 -4.392 3.748 -10.858 1.00 74.21 C ATOM 866 CE2 TYR A 62 -6.760 3.708 -11.201 1.00 34.22 C ATOM 867 CZ TYR A 62 -5.508 4.158 -11.558 1.00 75.43 C ATOM 868 OH TYR A 62 -5.366 5.020 -12.623 1.00 15.10 O ATOM 0 H TYR A 62 -6.119 0.210 -6.127 1.00 2.11 H new ATOM 0 HA TYR A 62 -4.740 2.537 -6.796 1.00 35.23 H new ATOM 0 HB2 TYR A 62 -5.200 0.662 -8.333 1.00 75.11 H new ATOM 0 HB3 TYR A 62 -6.918 1.001 -8.275 1.00 75.11 H new ATOM 0 HD1 TYR A 62 -3.658 2.562 -9.247 1.00 12.04 H new ATOM 0 HD2 TYR A 62 -7.878 2.492 -9.857 1.00 1.25 H new ATOM 0 HE1 TYR A 62 -3.412 4.103 -11.142 1.00 74.21 H new ATOM 0 HE2 TYR A 62 -7.631 4.031 -11.752 1.00 34.22 H new ATOM 0 HH TYR A 62 -6.246 5.210 -13.009 1.00 15.10 H new ATOM 878 N ASP A 63 -8.002 3.008 -6.521 1.00 15.22 N ATOM 879 CA ASP A 63 -9.030 4.037 -6.346 1.00 54.33 C ATOM 880 C ASP A 63 -8.851 4.769 -5.003 1.00 23.44 C ATOM 881 O ASP A 63 -9.047 5.984 -4.911 1.00 44.02 O ATOM 882 CB ASP A 63 -10.427 3.410 -6.437 1.00 74.44 C ATOM 883 CG ASP A 63 -11.534 4.454 -6.410 1.00 52.31 C ATOM 884 OD1 ASP A 63 -11.743 5.128 -7.441 1.00 31.03 O ATOM 885 OD2 ASP A 63 -12.195 4.606 -5.360 1.00 51.14 O ATOM 0 H ASP A 63 -8.351 2.051 -6.462 1.00 15.22 H new ATOM 0 HA ASP A 63 -8.923 4.770 -7.145 1.00 54.33 H new ATOM 0 HB2 ASP A 63 -10.502 2.828 -7.356 1.00 74.44 H new ATOM 0 HB3 ASP A 63 -10.566 2.716 -5.608 1.00 74.44 H new ATOM 890 N LYS A 64 -8.462 4.016 -3.974 1.00 3.43 N ATOM 891 CA LYS A 64 -8.192 4.576 -2.639 1.00 43.01 C ATOM 892 C LYS A 64 -7.049 5.605 -2.661 1.00 22.05 C ATOM 893 O LYS A 64 -7.069 6.584 -1.916 1.00 22.31 O ATOM 894 CB LYS A 64 -7.853 3.444 -1.660 1.00 25.52 C ATOM 895 CG LYS A 64 -9.032 2.529 -1.340 1.00 23.23 C ATOM 896 CD LYS A 64 -10.033 3.187 -0.390 1.00 3.10 C ATOM 897 CE LYS A 64 -9.418 3.441 0.983 1.00 21.20 C ATOM 898 NZ LYS A 64 -10.396 3.995 1.957 1.00 22.21 N ATOM 0 H LYS A 64 -8.324 3.007 -4.036 1.00 3.43 H new ATOM 0 HA LYS A 64 -9.093 5.094 -2.312 1.00 43.01 H new ATOM 0 HB2 LYS A 64 -7.044 2.845 -2.078 1.00 25.52 H new ATOM 0 HB3 LYS A 64 -7.481 3.879 -0.732 1.00 25.52 H new ATOM 0 HG2 LYS A 64 -9.538 2.255 -2.265 1.00 23.23 H new ATOM 0 HG3 LYS A 64 -8.662 1.606 -0.893 1.00 23.23 H new ATOM 0 HD2 LYS A 64 -10.375 4.130 -0.817 1.00 3.10 H new ATOM 0 HD3 LYS A 64 -10.910 2.548 -0.284 1.00 3.10 H new ATOM 0 HE2 LYS A 64 -9.012 2.508 1.373 1.00 21.20 H new ATOM 0 HE3 LYS A 64 -8.582 4.133 0.880 1.00 21.20 H new ATOM 0 HZ1 LYS A 64 -9.905 4.243 2.839 1.00 22.21 H new ATOM 0 HZ2 LYS A 64 -10.840 4.846 1.557 1.00 22.21 H new ATOM 0 HZ3 LYS A 64 -11.128 3.284 2.157 1.00 22.21 H new ATOM 912 N VAL A 65 -6.044 5.368 -3.503 1.00 51.41 N ATOM 913 CA VAL A 65 -4.919 6.302 -3.643 1.00 2.54 C ATOM 914 C VAL A 65 -5.198 7.343 -4.751 1.00 61.11 C ATOM 915 O VAL A 65 -4.303 8.066 -5.194 1.00 13.41 O ATOM 916 CB VAL A 65 -3.593 5.542 -3.937 1.00 30.42 C ATOM 917 CG1 VAL A 65 -3.580 4.969 -5.354 1.00 63.40 C ATOM 918 CG2 VAL A 65 -2.377 6.438 -3.692 1.00 11.43 C ATOM 0 H VAL A 65 -5.982 4.542 -4.098 1.00 51.41 H new ATOM 0 HA VAL A 65 -4.809 6.829 -2.695 1.00 2.54 H new ATOM 0 HB VAL A 65 -3.534 4.703 -3.243 1.00 30.42 H new ATOM 0 HG11 VAL A 65 -2.640 4.445 -5.526 1.00 63.40 H new ATOM 0 HG12 VAL A 65 -4.410 4.273 -5.473 1.00 63.40 H new ATOM 0 HG13 VAL A 65 -3.680 5.780 -6.075 1.00 63.40 H new ATOM 0 HG21 VAL A 65 -1.465 5.880 -3.905 1.00 11.43 H new ATOM 0 HG22 VAL A 65 -2.430 7.310 -4.344 1.00 11.43 H new ATOM 0 HG23 VAL A 65 -2.368 6.763 -2.652 1.00 11.43 H new ATOM 928 N GLY A 66 -6.454 7.401 -5.202 1.00 71.33 N ATOM 929 CA GLY A 66 -6.871 8.398 -6.189 1.00 22.41 C ATOM 930 C GLY A 66 -6.163 8.278 -7.537 1.00 43.03 C ATOM 931 O GLY A 66 -6.158 9.223 -8.327 1.00 61.03 O ATOM 0 H GLY A 66 -7.197 6.771 -4.900 1.00 71.33 H new ATOM 0 HA2 GLY A 66 -7.946 8.309 -6.347 1.00 22.41 H new ATOM 0 HA3 GLY A 66 -6.689 9.393 -5.783 1.00 22.41 H new ATOM 935 N GLY A 67 -5.566 7.118 -7.802 1.00 3.13 N ATOM 936 CA GLY A 67 -4.835 6.913 -9.050 1.00 51.12 C ATOM 937 C GLY A 67 -3.570 7.764 -9.171 1.00 13.22 C ATOM 938 O GLY A 67 -3.019 7.913 -10.260 1.00 43.11 O ATOM 0 H GLY A 67 -5.573 6.313 -7.176 1.00 3.13 H new ATOM 0 HA2 GLY A 67 -4.563 5.861 -9.132 1.00 51.12 H new ATOM 0 HA3 GLY A 67 -5.495 7.138 -9.888 1.00 51.12 H new ATOM 942 N ASN A 68 -3.088 8.302 -8.051 1.00 11.01 N ATOM 943 CA ASN A 68 -1.893 9.165 -8.049 1.00 32.25 C ATOM 944 C ASN A 68 -0.588 8.341 -8.077 1.00 1.04 C ATOM 945 O ASN A 68 0.412 8.718 -7.461 1.00 51.11 O ATOM 946 CB ASN A 68 -1.907 10.078 -6.814 1.00 34.30 C ATOM 947 CG ASN A 68 -3.064 11.064 -6.820 1.00 62.42 C ATOM 948 OD1 ASN A 68 -2.968 12.147 -7.385 1.00 55.55 O ATOM 949 ND2 ASN A 68 -4.157 10.717 -6.173 1.00 45.32 N ATOM 0 H ASN A 68 -3.502 8.159 -7.130 1.00 11.01 H new ATOM 0 HA ASN A 68 -1.923 9.771 -8.955 1.00 32.25 H new ATOM 0 HB2 ASN A 68 -1.964 9.464 -5.915 1.00 34.30 H new ATOM 0 HB3 ASN A 68 -0.967 10.628 -6.765 1.00 34.30 H new ATOM 0 HD21 ASN A 68 -4.951 11.356 -6.133 1.00 45.32 H new ATOM 0 HD22 ASN A 68 -4.210 9.809 -5.711 1.00 45.32 H new ATOM 956 N ILE A 69 -0.591 7.236 -8.826 1.00 53.13 N ATOM 957 CA ILE A 69 0.566 6.329 -8.898 1.00 64.13 C ATOM 958 C ILE A 69 0.791 5.816 -10.332 1.00 35.41 C ATOM 959 O ILE A 69 0.099 6.221 -11.270 1.00 1.44 O ATOM 960 CB ILE A 69 0.387 5.103 -7.961 1.00 11.22 C ATOM 961 CG1 ILE A 69 -0.894 4.326 -8.323 1.00 4.41 C ATOM 962 CG2 ILE A 69 0.367 5.536 -6.493 1.00 64.31 C ATOM 963 CD1 ILE A 69 -1.090 3.055 -7.520 1.00 34.44 C ATOM 0 H ILE A 69 -1.385 6.943 -9.396 1.00 53.13 H new ATOM 0 HA ILE A 69 1.431 6.909 -8.578 1.00 64.13 H new ATOM 0 HB ILE A 69 1.240 4.439 -8.103 1.00 11.22 H new ATOM 0 HG12 ILE A 69 -1.756 4.976 -8.172 1.00 4.41 H new ATOM 0 HG13 ILE A 69 -0.867 4.074 -9.383 1.00 4.41 H new ATOM 0 HG21 ILE A 69 0.241 4.660 -5.857 1.00 64.31 H new ATOM 0 HG22 ILE A 69 1.307 6.031 -6.247 1.00 64.31 H new ATOM 0 HG23 ILE A 69 -0.460 6.226 -6.328 1.00 64.31 H new ATOM 0 HD11 ILE A 69 -2.012 2.566 -7.833 1.00 34.44 H new ATOM 0 HD12 ILE A 69 -0.248 2.384 -7.689 1.00 34.44 H new ATOM 0 HD13 ILE A 69 -1.151 3.300 -6.460 1.00 34.44 H new ATOM 975 N GLY A 70 1.770 4.924 -10.492 1.00 22.24 N ATOM 976 CA GLY A 70 1.987 4.268 -11.774 1.00 32.01 C ATOM 977 C GLY A 70 1.014 3.114 -12.007 1.00 33.21 C ATOM 978 O GLY A 70 1.302 1.973 -11.657 1.00 44.52 O ATOM 0 H GLY A 70 2.417 4.644 -9.755 1.00 22.24 H new ATOM 0 HA2 GLY A 70 1.880 4.998 -12.576 1.00 32.01 H new ATOM 0 HA3 GLY A 70 3.009 3.893 -11.819 1.00 32.01 H new ATOM 982 N SER A 71 -0.137 3.414 -12.609 1.00 31.34 N ATOM 983 CA SER A 71 -1.206 2.418 -12.830 1.00 41.24 C ATOM 984 C SER A 71 -0.712 1.145 -13.542 1.00 35.32 C ATOM 985 O SER A 71 -1.374 0.109 -13.503 1.00 64.42 O ATOM 986 CB SER A 71 -2.330 3.039 -13.668 1.00 64.32 C ATOM 987 OG SER A 71 -2.688 4.322 -13.183 1.00 12.03 O ATOM 0 H SER A 71 -0.362 4.346 -12.958 1.00 31.34 H new ATOM 0 HA SER A 71 -1.564 2.128 -11.842 1.00 41.24 H new ATOM 0 HB2 SER A 71 -2.010 3.117 -14.707 1.00 64.32 H new ATOM 0 HB3 SER A 71 -3.202 2.385 -13.651 1.00 64.32 H new ATOM 0 HG SER A 71 -3.594 4.290 -12.810 1.00 12.03 H new ATOM 993 N THR A 72 0.446 1.229 -14.195 1.00 54.24 N ATOM 994 CA THR A 72 0.970 0.120 -15.010 1.00 73.30 C ATOM 995 C THR A 72 1.948 -0.781 -14.226 1.00 14.44 C ATOM 996 O THR A 72 2.720 -1.536 -14.822 1.00 22.03 O ATOM 997 CB THR A 72 1.681 0.662 -16.278 1.00 14.14 C ATOM 998 OG1 THR A 72 2.061 -0.418 -17.145 1.00 33.13 O ATOM 999 CG2 THR A 72 2.912 1.485 -15.906 1.00 31.21 C ATOM 0 H THR A 72 1.045 2.054 -14.179 1.00 54.24 H new ATOM 0 HA THR A 72 0.110 -0.486 -15.295 1.00 73.30 H new ATOM 0 HB THR A 72 0.977 1.308 -16.803 1.00 14.14 H new ATOM 0 HG1 THR A 72 2.401 -1.164 -16.608 1.00 33.13 H new ATOM 0 HG21 THR A 72 3.391 1.853 -16.813 1.00 31.21 H new ATOM 0 HG22 THR A 72 2.611 2.330 -15.286 1.00 31.21 H new ATOM 0 HG23 THR A 72 3.613 0.861 -15.352 1.00 31.21 H new ATOM 1007 N TRP A 73 1.905 -0.717 -12.895 1.00 31.22 N ATOM 1008 CA TRP A 73 2.774 -1.556 -12.055 1.00 22.51 C ATOM 1009 C TRP A 73 2.408 -3.050 -12.154 1.00 2.13 C ATOM 1010 O TRP A 73 3.288 -3.912 -12.132 1.00 72.52 O ATOM 1011 CB TRP A 73 2.718 -1.092 -10.591 1.00 72.24 C ATOM 1012 CG TRP A 73 3.403 0.225 -10.342 1.00 64.31 C ATOM 1013 CD1 TRP A 73 4.281 0.865 -11.170 1.00 43.21 C ATOM 1014 CD2 TRP A 73 3.278 1.055 -9.178 1.00 71.01 C ATOM 1015 NE1 TRP A 73 4.709 2.035 -10.593 1.00 0.13 N ATOM 1016 CE2 TRP A 73 4.107 2.177 -9.373 1.00 51.42 C ATOM 1017 CE3 TRP A 73 2.546 0.958 -7.994 1.00 52.11 C ATOM 1018 CZ2 TRP A 73 4.224 3.191 -8.425 1.00 43.11 C ATOM 1019 CZ3 TRP A 73 2.661 1.966 -7.053 1.00 32.54 C ATOM 1020 CH2 TRP A 73 3.495 3.070 -7.274 1.00 40.54 C ATOM 0 H TRP A 73 1.284 -0.099 -12.374 1.00 31.22 H new ATOM 0 HA TRP A 73 3.792 -1.442 -12.429 1.00 22.51 H new ATOM 0 HB2 TRP A 73 1.675 -1.011 -10.285 1.00 72.24 H new ATOM 0 HB3 TRP A 73 3.177 -1.854 -9.961 1.00 72.24 H new ATOM 0 HD1 TRP A 73 4.593 0.503 -12.138 1.00 43.21 H new ATOM 0 HE1 TRP A 73 5.370 2.693 -11.007 1.00 0.13 H new ATOM 0 HE3 TRP A 73 1.901 0.111 -7.815 1.00 52.11 H new ATOM 0 HZ2 TRP A 73 4.867 4.042 -8.593 1.00 43.11 H new ATOM 0 HZ3 TRP A 73 2.099 1.901 -6.133 1.00 32.54 H new ATOM 0 HH2 TRP A 73 3.564 3.841 -6.521 1.00 40.54 H new ATOM 1031 N GLY A 74 1.111 -3.348 -12.256 1.00 20.41 N ATOM 1032 CA GLY A 74 0.664 -4.734 -12.420 1.00 11.20 C ATOM 1033 C GLY A 74 0.354 -5.441 -11.099 1.00 60.51 C ATOM 1034 O GLY A 74 -0.314 -4.882 -10.226 1.00 63.15 O ATOM 0 H GLY A 74 0.360 -2.659 -12.229 1.00 20.41 H new ATOM 0 HA2 GLY A 74 -0.228 -4.747 -13.047 1.00 11.20 H new ATOM 0 HA3 GLY A 74 1.434 -5.295 -12.950 1.00 11.20 H new ATOM 1038 N ASN A 75 0.834 -6.680 -10.955 1.00 61.22 N ATOM 1039 CA ASN A 75 0.609 -7.464 -9.732 1.00 11.12 C ATOM 1040 C ASN A 75 1.263 -6.796 -8.512 1.00 74.30 C ATOM 1041 O ASN A 75 2.289 -6.124 -8.630 1.00 63.43 O ATOM 1042 CB ASN A 75 1.146 -8.894 -9.892 1.00 21.41 C ATOM 1043 CG ASN A 75 0.442 -9.657 -11.001 1.00 62.12 C ATOM 1044 OD1 ASN A 75 -0.596 -10.274 -10.786 1.00 11.24 O ATOM 1045 ND2 ASN A 75 1.009 -9.639 -12.188 1.00 11.34 N ATOM 0 H ASN A 75 1.380 -7.163 -11.668 1.00 61.22 H new ATOM 0 HA ASN A 75 -0.468 -7.507 -9.567 1.00 11.12 H new ATOM 0 HB2 ASN A 75 2.215 -8.856 -10.103 1.00 21.41 H new ATOM 0 HB3 ASN A 75 1.025 -9.432 -8.952 1.00 21.41 H new ATOM 0 HD21 ASN A 75 0.585 -10.148 -12.963 1.00 11.34 H new ATOM 0 HD22 ASN A 75 1.872 -9.116 -12.333 1.00 11.34 H new ATOM 1052 N ALA A 76 0.682 -7.019 -7.334 1.00 21.12 N ATOM 1053 CA ALA A 76 1.089 -6.319 -6.110 1.00 15.00 C ATOM 1054 C ALA A 76 2.588 -6.473 -5.795 1.00 45.21 C ATOM 1055 O ALA A 76 3.204 -5.563 -5.242 1.00 4.12 O ATOM 1056 CB ALA A 76 0.243 -6.806 -4.943 1.00 73.10 C ATOM 0 H ALA A 76 -0.079 -7.684 -7.198 1.00 21.12 H new ATOM 0 HA ALA A 76 0.922 -5.254 -6.273 1.00 15.00 H new ATOM 0 HB1 ALA A 76 0.545 -6.287 -4.033 1.00 73.10 H new ATOM 0 HB2 ALA A 76 -0.808 -6.602 -5.146 1.00 73.10 H new ATOM 0 HB3 ALA A 76 0.386 -7.879 -4.813 1.00 73.10 H new ATOM 1062 N ASN A 77 3.181 -7.609 -6.159 1.00 40.24 N ATOM 1063 CA ASN A 77 4.603 -7.858 -5.876 1.00 31.41 C ATOM 1064 C ASN A 77 5.537 -6.922 -6.674 1.00 25.24 C ATOM 1065 O ASN A 77 6.684 -6.704 -6.286 1.00 22.44 O ATOM 1066 CB ASN A 77 4.966 -9.318 -6.168 1.00 61.21 C ATOM 1067 CG ASN A 77 4.928 -9.646 -7.655 1.00 45.40 C ATOM 1068 OD1 ASN A 77 5.912 -9.482 -8.360 1.00 3.34 O ATOM 1069 ND2 ASN A 77 3.796 -10.109 -8.145 1.00 31.22 N ATOM 0 H ASN A 77 2.708 -8.369 -6.647 1.00 40.24 H new ATOM 0 HA ASN A 77 4.750 -7.649 -4.816 1.00 31.41 H new ATOM 0 HB2 ASN A 77 5.963 -9.525 -5.780 1.00 61.21 H new ATOM 0 HB3 ASN A 77 4.275 -9.973 -5.638 1.00 61.21 H new ATOM 0 HD21 ASN A 77 3.726 -10.340 -9.136 1.00 31.22 H new ATOM 0 HD22 ASN A 77 2.990 -10.236 -7.533 1.00 31.22 H new ATOM 1076 N ASN A 78 5.046 -6.364 -7.779 1.00 2.12 N ATOM 1077 CA ASN A 78 5.870 -5.512 -8.650 1.00 62.25 C ATOM 1078 C ASN A 78 5.758 -4.018 -8.276 1.00 75.21 C ATOM 1079 O ASN A 78 6.576 -3.204 -8.703 1.00 60.33 O ATOM 1080 CB ASN A 78 5.461 -5.729 -10.117 1.00 55.24 C ATOM 1081 CG ASN A 78 6.413 -5.064 -11.099 1.00 64.34 C ATOM 1082 OD1 ASN A 78 7.409 -5.652 -11.516 1.00 62.32 O ATOM 1083 ND2 ASN A 78 6.109 -3.848 -11.499 1.00 2.02 N ATOM 0 H ASN A 78 4.084 -6.483 -8.096 1.00 2.12 H new ATOM 0 HA ASN A 78 6.912 -5.799 -8.512 1.00 62.25 H new ATOM 0 HB2 ASN A 78 5.421 -6.798 -10.324 1.00 55.24 H new ATOM 0 HB3 ASN A 78 4.456 -5.337 -10.271 1.00 55.24 H new ATOM 0 HD21 ASN A 78 6.706 -3.368 -12.172 1.00 2.02 H new ATOM 0 HD22 ASN A 78 5.276 -3.385 -11.136 1.00 2.02 H new ATOM 1090 N TRP A 79 4.755 -3.672 -7.461 1.00 24.24 N ATOM 1091 CA TRP A 79 4.475 -2.269 -7.101 1.00 54.23 C ATOM 1092 C TRP A 79 5.713 -1.520 -6.567 1.00 40.52 C ATOM 1093 O TRP A 79 6.191 -0.580 -7.202 1.00 35.11 O ATOM 1094 CB TRP A 79 3.324 -2.202 -6.081 1.00 63.44 C ATOM 1095 CG TRP A 79 1.972 -2.401 -6.703 1.00 12.44 C ATOM 1096 CD1 TRP A 79 1.653 -3.254 -7.720 1.00 53.22 C ATOM 1097 CD2 TRP A 79 0.759 -1.726 -6.351 1.00 72.00 C ATOM 1098 NE1 TRP A 79 0.319 -3.153 -8.019 1.00 45.21 N ATOM 1099 CE2 TRP A 79 -0.252 -2.222 -7.194 1.00 13.24 C ATOM 1100 CE3 TRP A 79 0.430 -0.753 -5.403 1.00 35.32 C ATOM 1101 CZ2 TRP A 79 -1.567 -1.775 -7.121 1.00 65.25 C ATOM 1102 CZ3 TRP A 79 -0.877 -0.310 -5.331 1.00 22.23 C ATOM 1103 CH2 TRP A 79 -1.863 -0.822 -6.184 1.00 34.55 C ATOM 0 H TRP A 79 4.118 -4.345 -7.034 1.00 24.24 H new ATOM 0 HA TRP A 79 4.181 -1.762 -8.020 1.00 54.23 H new ATOM 0 HB2 TRP A 79 3.480 -2.962 -5.316 1.00 63.44 H new ATOM 0 HB3 TRP A 79 3.347 -1.235 -5.579 1.00 63.44 H new ATOM 0 HD1 TRP A 79 2.350 -3.913 -8.217 1.00 53.22 H new ATOM 0 HE1 TRP A 79 -0.169 -3.685 -8.739 1.00 45.21 H new ATOM 0 HE3 TRP A 79 1.183 -0.355 -4.739 1.00 35.32 H new ATOM 0 HZ2 TRP A 79 -2.328 -2.166 -7.780 1.00 65.25 H new ATOM 0 HZ3 TRP A 79 -1.143 0.444 -4.605 1.00 22.23 H new ATOM 0 HH2 TRP A 79 -2.876 -0.458 -6.101 1.00 34.55 H new ATOM 1114 N ALA A 80 6.234 -1.935 -5.411 1.00 34.30 N ATOM 1115 CA ALA A 80 7.396 -1.259 -4.803 1.00 33.30 C ATOM 1116 C ALA A 80 8.623 -1.271 -5.732 1.00 12.04 C ATOM 1117 O ALA A 80 9.291 -0.248 -5.906 1.00 35.51 O ATOM 1118 CB ALA A 80 7.741 -1.891 -3.460 1.00 44.33 C ATOM 0 H ALA A 80 5.878 -2.728 -4.876 1.00 34.30 H new ATOM 0 HA ALA A 80 7.117 -0.217 -4.644 1.00 33.30 H new ATOM 0 HB1 ALA A 80 8.600 -1.379 -3.027 1.00 44.33 H new ATOM 0 HB2 ALA A 80 6.889 -1.802 -2.786 1.00 44.33 H new ATOM 0 HB3 ALA A 80 7.981 -2.944 -3.605 1.00 44.33 H new ATOM 1124 N SER A 81 8.902 -2.431 -6.331 1.00 65.40 N ATOM 1125 CA SER A 81 10.026 -2.585 -7.271 1.00 73.34 C ATOM 1126 C SER A 81 9.949 -1.565 -8.417 1.00 54.45 C ATOM 1127 O SER A 81 10.970 -1.054 -8.881 1.00 51.21 O ATOM 1128 CB SER A 81 10.045 -4.008 -7.853 1.00 64.11 C ATOM 1129 OG SER A 81 10.111 -4.990 -6.826 1.00 11.12 O ATOM 0 H SER A 81 8.364 -3.285 -6.184 1.00 65.40 H new ATOM 0 HA SER A 81 10.945 -2.405 -6.713 1.00 73.34 H new ATOM 0 HB2 SER A 81 9.150 -4.168 -8.454 1.00 64.11 H new ATOM 0 HB3 SER A 81 10.901 -4.118 -8.519 1.00 64.11 H new ATOM 0 HG SER A 81 10.120 -5.884 -7.228 1.00 11.12 H new ATOM 1135 N ALA A 82 8.732 -1.278 -8.871 1.00 11.41 N ATOM 1136 CA ALA A 82 8.513 -0.301 -9.942 1.00 14.44 C ATOM 1137 C ALA A 82 8.428 1.136 -9.399 1.00 64.45 C ATOM 1138 O ALA A 82 8.762 2.091 -10.099 1.00 44.02 O ATOM 1139 CB ALA A 82 7.256 -0.656 -10.724 1.00 34.42 C ATOM 0 H ALA A 82 7.878 -1.708 -8.515 1.00 11.41 H new ATOM 0 HA ALA A 82 9.372 -0.341 -10.611 1.00 14.44 H new ATOM 0 HB1 ALA A 82 7.102 0.076 -11.517 1.00 34.42 H new ATOM 0 HB2 ALA A 82 7.368 -1.648 -11.162 1.00 34.42 H new ATOM 0 HB3 ALA A 82 6.397 -0.650 -10.054 1.00 34.42 H new ATOM 1145 N ALA A 83 7.985 1.281 -8.147 1.00 1.13 N ATOM 1146 CA ALA A 83 7.886 2.595 -7.492 1.00 70.45 C ATOM 1147 C ALA A 83 9.235 3.327 -7.500 1.00 50.43 C ATOM 1148 O ALA A 83 9.322 4.480 -7.920 1.00 63.21 O ATOM 1149 CB ALA A 83 7.371 2.435 -6.064 1.00 60.44 C ATOM 0 H ALA A 83 7.687 0.501 -7.561 1.00 1.13 H new ATOM 0 HA ALA A 83 7.178 3.201 -8.057 1.00 70.45 H new ATOM 0 HB1 ALA A 83 7.302 3.414 -5.590 1.00 60.44 H new ATOM 0 HB2 ALA A 83 6.385 1.971 -6.083 1.00 60.44 H new ATOM 0 HB3 ALA A 83 8.058 1.805 -5.498 1.00 60.44 H new ATOM 1155 N SER A 84 10.284 2.641 -7.057 1.00 22.13 N ATOM 1156 CA SER A 84 11.637 3.217 -7.040 1.00 52.41 C ATOM 1157 C SER A 84 12.078 3.634 -8.450 1.00 42.51 C ATOM 1158 O SER A 84 12.457 4.784 -8.683 1.00 21.00 O ATOM 1159 CB SER A 84 12.644 2.211 -6.469 1.00 54.52 C ATOM 1160 OG SER A 84 12.703 1.037 -7.265 1.00 65.53 O ATOM 0 H SER A 84 10.230 1.686 -6.704 1.00 22.13 H new ATOM 0 HA SER A 84 11.610 4.102 -6.404 1.00 52.41 H new ATOM 0 HB2 SER A 84 13.632 2.670 -6.419 1.00 54.52 H new ATOM 0 HB3 SER A 84 12.362 1.949 -5.449 1.00 54.52 H new ATOM 0 HG SER A 84 13.353 0.413 -6.880 1.00 65.53 H new ATOM 1166 N SER A 85 12.013 2.686 -9.386 1.00 10.22 N ATOM 1167 CA SER A 85 12.372 2.931 -10.796 1.00 64.04 C ATOM 1168 C SER A 85 11.577 4.098 -11.411 1.00 61.11 C ATOM 1169 O SER A 85 12.110 4.874 -12.206 1.00 64.23 O ATOM 1170 CB SER A 85 12.138 1.662 -11.630 1.00 53.21 C ATOM 1171 OG SER A 85 12.422 1.884 -13.005 1.00 50.23 O ATOM 0 H SER A 85 11.713 1.730 -9.196 1.00 10.22 H new ATOM 0 HA SER A 85 13.428 3.202 -10.812 1.00 64.04 H new ATOM 0 HB2 SER A 85 12.767 0.856 -11.253 1.00 53.21 H new ATOM 0 HB3 SER A 85 11.103 1.337 -11.519 1.00 53.21 H new ATOM 0 HG SER A 85 12.265 1.058 -13.509 1.00 50.23 H new ATOM 1177 N ALA A 86 10.304 4.218 -11.036 1.00 64.53 N ATOM 1178 CA ALA A 86 9.434 5.284 -11.556 1.00 63.34 C ATOM 1179 C ALA A 86 9.674 6.627 -10.838 1.00 24.22 C ATOM 1180 O ALA A 86 9.168 7.667 -11.266 1.00 73.44 O ATOM 1181 CB ALA A 86 7.969 4.870 -11.435 1.00 35.04 C ATOM 0 H ALA A 86 9.847 3.591 -10.373 1.00 64.53 H new ATOM 0 HA ALA A 86 9.682 5.430 -12.607 1.00 63.34 H new ATOM 0 HB1 ALA A 86 7.333 5.666 -11.823 1.00 35.04 H new ATOM 0 HB2 ALA A 86 7.800 3.959 -12.008 1.00 35.04 H new ATOM 0 HB3 ALA A 86 7.727 4.690 -10.388 1.00 35.04 H new ATOM 1187 N GLY A 87 10.437 6.599 -9.745 1.00 32.50 N ATOM 1188 CA GLY A 87 10.766 7.824 -9.015 1.00 52.53 C ATOM 1189 C GLY A 87 9.824 8.121 -7.849 1.00 34.31 C ATOM 1190 O GLY A 87 9.428 9.273 -7.640 1.00 55.44 O ATOM 0 H GLY A 87 10.836 5.749 -9.348 1.00 32.50 H new ATOM 0 HA2 GLY A 87 11.785 7.747 -8.636 1.00 52.53 H new ATOM 0 HA3 GLY A 87 10.747 8.665 -9.708 1.00 52.53 H new ATOM 1194 N TYR A 88 9.460 7.087 -7.095 1.00 51.50 N ATOM 1195 CA TYR A 88 8.630 7.243 -5.892 1.00 50.33 C ATOM 1196 C TYR A 88 9.439 6.947 -4.619 1.00 51.14 C ATOM 1197 O TYR A 88 10.629 6.630 -4.682 1.00 41.11 O ATOM 1198 CB TYR A 88 7.401 6.321 -5.959 1.00 20.20 C ATOM 1199 CG TYR A 88 6.394 6.707 -7.029 1.00 21.22 C ATOM 1200 CD1 TYR A 88 6.504 6.227 -8.329 1.00 60.13 C ATOM 1201 CD2 TYR A 88 5.328 7.551 -6.734 1.00 54.51 C ATOM 1202 CE1 TYR A 88 5.583 6.573 -9.301 1.00 54.44 C ATOM 1203 CE2 TYR A 88 4.403 7.900 -7.698 1.00 64.03 C ATOM 1204 CZ TYR A 88 4.535 7.409 -8.981 1.00 32.43 C ATOM 1205 OH TYR A 88 3.611 7.748 -9.943 1.00 42.24 O ATOM 0 H TYR A 88 9.727 6.123 -7.294 1.00 51.50 H new ATOM 0 HA TYR A 88 8.293 8.279 -5.853 1.00 50.33 H new ATOM 0 HB2 TYR A 88 7.736 5.300 -6.142 1.00 20.20 H new ATOM 0 HB3 TYR A 88 6.904 6.325 -4.989 1.00 20.20 H new ATOM 0 HD1 TYR A 88 7.324 5.572 -8.585 1.00 60.13 H new ATOM 0 HD2 TYR A 88 5.222 7.940 -5.732 1.00 54.51 H new ATOM 0 HE1 TYR A 88 5.684 6.190 -10.306 1.00 54.44 H new ATOM 0 HE2 TYR A 88 3.580 8.554 -7.449 1.00 64.03 H new ATOM 0 HH TYR A 88 2.937 8.343 -9.554 1.00 42.24 H new ATOM 1215 N THR A 89 8.784 7.038 -3.465 1.00 14.55 N ATOM 1216 CA THR A 89 9.462 6.856 -2.168 1.00 34.11 C ATOM 1217 C THR A 89 9.050 5.549 -1.476 1.00 14.12 C ATOM 1218 O THR A 89 7.957 5.449 -0.910 1.00 24.33 O ATOM 1219 CB THR A 89 9.174 8.045 -1.217 1.00 25.50 C ATOM 1220 OG1 THR A 89 9.602 9.272 -1.823 1.00 61.41 O ATOM 1221 CG2 THR A 89 9.877 7.881 0.128 1.00 63.13 C ATOM 0 H THR A 89 7.786 7.236 -3.393 1.00 14.55 H new ATOM 0 HA THR A 89 10.529 6.810 -2.384 1.00 34.11 H new ATOM 0 HB THR A 89 8.099 8.067 -1.040 1.00 25.50 H new ATOM 0 HG1 THR A 89 9.415 10.019 -1.217 1.00 61.41 H new ATOM 0 HG21 THR A 89 9.649 8.736 0.764 1.00 63.13 H new ATOM 0 HG22 THR A 89 9.531 6.967 0.610 1.00 63.13 H new ATOM 0 HG23 THR A 89 10.954 7.823 -0.029 1.00 63.13 H new ATOM 1229 N VAL A 90 9.932 4.553 -1.522 1.00 33.55 N ATOM 1230 CA VAL A 90 9.693 3.270 -0.853 1.00 3.33 C ATOM 1231 C VAL A 90 10.327 3.256 0.549 1.00 2.44 C ATOM 1232 O VAL A 90 11.536 3.075 0.697 1.00 63.33 O ATOM 1233 CB VAL A 90 10.252 2.083 -1.676 1.00 40.24 C ATOM 1234 CG1 VAL A 90 9.904 0.750 -1.009 1.00 2.02 C ATOM 1235 CG2 VAL A 90 9.738 2.128 -3.114 1.00 53.44 C ATOM 0 H VAL A 90 10.822 4.607 -2.017 1.00 33.55 H new ATOM 0 HA VAL A 90 8.613 3.155 -0.765 1.00 3.33 H new ATOM 0 HB VAL A 90 11.338 2.171 -1.706 1.00 40.24 H new ATOM 0 HG11 VAL A 90 10.306 -0.070 -1.604 1.00 2.02 H new ATOM 0 HG12 VAL A 90 10.337 0.720 -0.009 1.00 2.02 H new ATOM 0 HG13 VAL A 90 8.821 0.650 -0.939 1.00 2.02 H new ATOM 0 HG21 VAL A 90 10.144 1.284 -3.672 1.00 53.44 H new ATOM 0 HG22 VAL A 90 8.649 2.072 -3.113 1.00 53.44 H new ATOM 0 HG23 VAL A 90 10.053 3.060 -3.584 1.00 53.44 H new ATOM 1245 N ASN A 91 9.507 3.484 1.571 1.00 73.41 N ATOM 1246 CA ASN A 91 9.972 3.495 2.971 1.00 41.23 C ATOM 1247 C ASN A 91 9.214 2.464 3.818 1.00 44.32 C ATOM 1248 O ASN A 91 8.092 2.081 3.494 1.00 41.41 O ATOM 1249 CB ASN A 91 9.793 4.892 3.596 1.00 74.02 C ATOM 1250 CG ASN A 91 10.925 5.863 3.284 1.00 13.01 C ATOM 1251 OD1 ASN A 91 11.233 6.742 4.082 1.00 41.34 O ATOM 1252 ND2 ASN A 91 11.556 5.725 2.136 1.00 0.45 N ATOM 0 H ASN A 91 8.509 3.666 1.463 1.00 73.41 H new ATOM 0 HA ASN A 91 11.030 3.235 2.961 1.00 41.23 H new ATOM 0 HB2 ASN A 91 8.855 5.319 3.242 1.00 74.02 H new ATOM 0 HB3 ASN A 91 9.707 4.786 4.677 1.00 74.02 H new ATOM 0 HD21 ASN A 91 12.319 6.357 1.894 1.00 0.45 H new ATOM 0 HD22 ASN A 91 11.281 4.986 1.489 1.00 0.45 H new ATOM 1259 N ASN A 92 9.830 2.026 4.911 1.00 71.22 N ATOM 1260 CA ASN A 92 9.165 1.122 5.859 1.00 51.21 C ATOM 1261 C ASN A 92 8.312 1.901 6.875 1.00 60.32 C ATOM 1262 O ASN A 92 7.628 1.310 7.709 1.00 60.41 O ATOM 1263 CB ASN A 92 10.199 0.263 6.586 1.00 42.15 C ATOM 1264 CG ASN A 92 10.929 -0.675 5.644 1.00 73.24 C ATOM 1265 OD1 ASN A 92 11.951 -0.320 5.062 1.00 41.11 O ATOM 1266 ND2 ASN A 92 10.413 -1.877 5.482 1.00 14.03 N ATOM 0 H ASN A 92 10.785 2.278 5.167 1.00 71.22 H new ATOM 0 HA ASN A 92 8.499 0.473 5.290 1.00 51.21 H new ATOM 0 HB2 ASN A 92 10.921 0.910 7.083 1.00 42.15 H new ATOM 0 HB3 ASN A 92 9.704 -0.319 7.363 1.00 42.15 H new ATOM 0 HD21 ASN A 92 10.864 -2.546 4.857 1.00 14.03 H new ATOM 0 HD22 ASN A 92 9.563 -2.139 5.981 1.00 14.03 H new ATOM 1273 N SER A 93 8.371 3.232 6.800 1.00 25.12 N ATOM 1274 CA SER A 93 7.553 4.102 7.656 1.00 74.24 C ATOM 1275 C SER A 93 6.059 3.952 7.319 1.00 31.35 C ATOM 1276 O SER A 93 5.618 4.372 6.244 1.00 5.22 O ATOM 1277 CB SER A 93 7.978 5.567 7.488 1.00 35.45 C ATOM 1278 OG SER A 93 9.371 5.729 7.719 1.00 64.51 O ATOM 0 H SER A 93 8.978 3.735 6.153 1.00 25.12 H new ATOM 0 HA SER A 93 7.709 3.801 8.692 1.00 74.24 H new ATOM 0 HB2 SER A 93 7.732 5.906 6.482 1.00 35.45 H new ATOM 0 HB3 SER A 93 7.417 6.193 8.182 1.00 35.45 H new ATOM 0 HG SER A 93 9.614 6.671 7.604 1.00 64.51 H new ATOM 1284 N PRO A 94 5.260 3.371 8.239 1.00 44.32 N ATOM 1285 CA PRO A 94 3.847 3.025 7.988 1.00 55.42 C ATOM 1286 C PRO A 94 2.874 4.216 8.060 1.00 64.41 C ATOM 1287 O PRO A 94 1.675 4.013 8.220 1.00 23.21 O ATOM 1288 CB PRO A 94 3.515 2.013 9.112 1.00 2.42 C ATOM 1289 CG PRO A 94 4.790 1.785 9.862 1.00 33.13 C ATOM 1290 CD PRO A 94 5.654 2.987 9.600 1.00 33.42 C ATOM 0 HA PRO A 94 3.728 2.644 6.974 1.00 55.42 H new ATOM 0 HB2 PRO A 94 2.741 2.405 9.772 1.00 2.42 H new ATOM 0 HB3 PRO A 94 3.137 1.079 8.695 1.00 2.42 H new ATOM 0 HG2 PRO A 94 4.598 1.669 10.929 1.00 33.13 H new ATOM 0 HG3 PRO A 94 5.281 0.872 9.525 1.00 33.13 H new ATOM 0 HD2 PRO A 94 5.466 3.786 10.317 1.00 33.42 H new ATOM 0 HD3 PRO A 94 6.715 2.745 9.662 1.00 33.42 H new ATOM 1298 N GLU A 95 3.387 5.440 7.919 1.00 43.51 N ATOM 1299 CA GLU A 95 2.572 6.661 8.064 1.00 42.21 C ATOM 1300 C GLU A 95 1.260 6.597 7.253 1.00 73.40 C ATOM 1301 O GLU A 95 1.231 6.097 6.126 1.00 42.11 O ATOM 1302 CB GLU A 95 3.387 7.895 7.646 1.00 53.10 C ATOM 1303 CG GLU A 95 2.682 9.225 7.913 1.00 23.13 C ATOM 1304 CD GLU A 95 2.363 9.439 9.389 1.00 10.15 C ATOM 1305 OE1 GLU A 95 1.290 8.984 9.847 1.00 73.14 O ATOM 1306 OE2 GLU A 95 3.186 10.054 10.098 1.00 53.52 O ATOM 0 H GLU A 95 4.368 5.619 7.703 1.00 43.51 H new ATOM 0 HA GLU A 95 2.298 6.739 9.116 1.00 42.21 H new ATOM 0 HB2 GLU A 95 4.338 7.887 8.178 1.00 53.10 H new ATOM 0 HB3 GLU A 95 3.616 7.824 6.583 1.00 53.10 H new ATOM 0 HG2 GLU A 95 3.311 10.042 7.560 1.00 23.13 H new ATOM 0 HG3 GLU A 95 1.757 9.263 7.337 1.00 23.13 H new ATOM 1313 N ALA A 96 0.184 7.129 7.838 1.00 42.14 N ATOM 1314 CA ALA A 96 -1.156 7.067 7.237 1.00 44.30 C ATOM 1315 C ALA A 96 -1.211 7.747 5.858 1.00 14.01 C ATOM 1316 O ALA A 96 -0.567 8.772 5.626 1.00 24.33 O ATOM 1317 CB ALA A 96 -2.181 7.691 8.180 1.00 34.44 C ATOM 0 H ALA A 96 0.213 7.612 8.736 1.00 42.14 H new ATOM 0 HA ALA A 96 -1.397 6.015 7.083 1.00 44.30 H new ATOM 0 HB1 ALA A 96 -3.171 7.641 7.726 1.00 34.44 H new ATOM 0 HB2 ALA A 96 -2.186 7.146 9.124 1.00 34.44 H new ATOM 0 HB3 ALA A 96 -1.919 8.733 8.364 1.00 34.44 H new ATOM 1323 N GLY A 97 -2.015 7.187 4.956 1.00 41.24 N ATOM 1324 CA GLY A 97 -2.073 7.691 3.588 1.00 73.14 C ATOM 1325 C GLY A 97 -0.977 7.105 2.700 1.00 44.21 C ATOM 1326 O GLY A 97 -0.299 7.827 1.966 1.00 43.14 O ATOM 0 H GLY A 97 -2.628 6.394 5.145 1.00 41.24 H new ATOM 0 HA2 GLY A 97 -3.047 7.456 3.159 1.00 73.14 H new ATOM 0 HA3 GLY A 97 -1.983 8.777 3.601 1.00 73.14 H new ATOM 1330 N SER A 98 -0.791 5.792 2.784 1.00 61.00 N ATOM 1331 CA SER A 98 0.221 5.093 1.981 1.00 70.32 C ATOM 1332 C SER A 98 -0.216 3.660 1.669 1.00 51.14 C ATOM 1333 O SER A 98 -1.276 3.209 2.108 1.00 5.24 O ATOM 1334 CB SER A 98 1.575 5.076 2.709 1.00 12.11 C ATOM 1335 OG SER A 98 1.517 4.318 3.910 1.00 13.54 O ATOM 0 H SER A 98 -1.328 5.183 3.402 1.00 61.00 H new ATOM 0 HA SER A 98 0.329 5.636 1.042 1.00 70.32 H new ATOM 0 HB2 SER A 98 2.337 4.658 2.051 1.00 12.11 H new ATOM 0 HB3 SER A 98 1.878 6.098 2.938 1.00 12.11 H new ATOM 0 HG SER A 98 1.436 4.924 4.676 1.00 13.54 H new ATOM 1341 N ILE A 99 0.610 2.953 0.904 1.00 20.45 N ATOM 1342 CA ILE A 99 0.297 1.592 0.463 1.00 74.43 C ATOM 1343 C ILE A 99 1.392 0.614 0.904 1.00 62.41 C ATOM 1344 O ILE A 99 2.556 0.784 0.544 1.00 63.51 O ATOM 1345 CB ILE A 99 0.177 1.547 -1.081 1.00 11.20 C ATOM 1346 CG1 ILE A 99 -0.821 2.614 -1.567 1.00 21.01 C ATOM 1347 CG2 ILE A 99 -0.236 0.152 -1.554 1.00 30.43 C ATOM 1348 CD1 ILE A 99 -0.822 2.817 -3.066 1.00 21.24 C ATOM 0 H ILE A 99 1.510 3.301 0.573 1.00 20.45 H new ATOM 0 HA ILE A 99 -0.650 1.300 0.917 1.00 74.43 H new ATOM 0 HB ILE A 99 1.153 1.767 -1.513 1.00 11.20 H new ATOM 0 HG12 ILE A 99 -1.824 2.331 -1.248 1.00 21.01 H new ATOM 0 HG13 ILE A 99 -0.588 3.562 -1.082 1.00 21.01 H new ATOM 0 HG21 ILE A 99 -0.314 0.145 -2.641 1.00 30.43 H new ATOM 0 HG22 ILE A 99 0.512 -0.575 -1.239 1.00 30.43 H new ATOM 0 HG23 ILE A 99 -1.201 -0.109 -1.119 1.00 30.43 H new ATOM 0 HD11 ILE A 99 -1.551 3.584 -3.329 1.00 21.24 H new ATOM 0 HD12 ILE A 99 0.170 3.132 -3.391 1.00 21.24 H new ATOM 0 HD13 ILE A 99 -1.085 1.882 -3.560 1.00 21.24 H new ATOM 1360 N LEU A 100 1.028 -0.405 1.682 1.00 70.33 N ATOM 1361 CA LEU A 100 2.008 -1.409 2.118 1.00 43.43 C ATOM 1362 C LEU A 100 2.037 -2.602 1.150 1.00 40.22 C ATOM 1363 O LEU A 100 0.999 -3.046 0.659 1.00 65.32 O ATOM 1364 CB LEU A 100 1.732 -1.881 3.562 1.00 2.02 C ATOM 1365 CG LEU A 100 0.681 -2.995 3.755 1.00 64.45 C ATOM 1366 CD1 LEU A 100 0.580 -3.388 5.227 1.00 35.35 C ATOM 1367 CD2 LEU A 100 -0.686 -2.578 3.224 1.00 12.10 C ATOM 0 H LEU A 100 0.078 -0.560 2.021 1.00 70.33 H new ATOM 0 HA LEU A 100 2.990 -0.936 2.108 1.00 43.43 H new ATOM 0 HB2 LEU A 100 2.673 -2.228 3.989 1.00 2.02 H new ATOM 0 HB3 LEU A 100 1.417 -1.016 4.145 1.00 2.02 H new ATOM 0 HG LEU A 100 1.011 -3.860 3.180 1.00 64.45 H new ATOM 0 HD11 LEU A 100 -0.166 -4.174 5.343 1.00 35.35 H new ATOM 0 HD12 LEU A 100 1.547 -3.751 5.574 1.00 35.35 H new ATOM 0 HD13 LEU A 100 0.286 -2.519 5.816 1.00 35.35 H new ATOM 0 HD21 LEU A 100 -1.399 -3.388 3.378 1.00 12.10 H new ATOM 0 HD22 LEU A 100 -1.027 -1.689 3.755 1.00 12.10 H new ATOM 0 HD23 LEU A 100 -0.611 -2.358 2.159 1.00 12.10 H new ATOM 1379 N GLN A 101 3.233 -3.100 0.864 1.00 53.04 N ATOM 1380 CA GLN A 101 3.396 -4.238 -0.046 1.00 20.03 C ATOM 1381 C GLN A 101 3.720 -5.528 0.722 1.00 41.43 C ATOM 1382 O GLN A 101 4.845 -5.722 1.189 1.00 62.40 O ATOM 1383 CB GLN A 101 4.512 -3.953 -1.059 1.00 41.14 C ATOM 1384 CG GLN A 101 4.587 -4.976 -2.189 1.00 44.12 C ATOM 1385 CD GLN A 101 5.886 -4.900 -2.966 1.00 42.53 C ATOM 1386 OE1 GLN A 101 6.935 -4.580 -2.423 1.00 41.31 O ATOM 1387 NE2 GLN A 101 5.824 -5.177 -4.247 1.00 54.25 N ATOM 0 H GLN A 101 4.107 -2.738 1.246 1.00 53.04 H new ATOM 0 HA GLN A 101 2.451 -4.377 -0.572 1.00 20.03 H new ATOM 0 HB2 GLN A 101 4.359 -2.962 -1.487 1.00 41.14 H new ATOM 0 HB3 GLN A 101 5.468 -3.930 -0.537 1.00 41.14 H new ATOM 0 HG2 GLN A 101 4.476 -5.978 -1.774 1.00 44.12 H new ATOM 0 HG3 GLN A 101 3.751 -4.819 -2.871 1.00 44.12 H new ATOM 0 HE21 GLN A 101 4.934 -5.441 -4.669 1.00 54.25 H new ATOM 0 HE22 GLN A 101 6.666 -5.129 -4.821 1.00 54.25 H new ATOM 1396 N SER A 102 2.727 -6.400 0.863 1.00 22.34 N ATOM 1397 CA SER A 102 2.933 -7.711 1.485 1.00 50.55 C ATOM 1398 C SER A 102 3.676 -8.663 0.538 1.00 42.21 C ATOM 1399 O SER A 102 3.082 -9.280 -0.349 1.00 70.33 O ATOM 1400 CB SER A 102 1.596 -8.329 1.915 1.00 35.35 C ATOM 1401 OG SER A 102 0.959 -7.547 2.913 1.00 40.35 O ATOM 0 H SER A 102 1.770 -6.226 0.556 1.00 22.34 H new ATOM 0 HA SER A 102 3.548 -7.561 2.372 1.00 50.55 H new ATOM 0 HB2 SER A 102 0.941 -8.420 1.049 1.00 35.35 H new ATOM 0 HB3 SER A 102 1.765 -9.337 2.294 1.00 35.35 H new ATOM 0 HG SER A 102 1.450 -7.631 3.757 1.00 40.35 H new ATOM 1466 N GLY A 108 2.118 -11.291 -4.099 1.00 41.13 N ATOM 1467 CA GLY A 108 2.088 -10.006 -3.414 1.00 14.04 C ATOM 1468 C GLY A 108 0.682 -9.551 -3.040 1.00 73.30 C ATOM 1469 O GLY A 108 -0.304 -9.962 -3.654 1.00 31.43 O ATOM 0 HA2 GLY A 108 2.693 -10.071 -2.510 1.00 14.04 H new ATOM 0 HA3 GLY A 108 2.548 -9.252 -4.052 1.00 14.04 H new ATOM 1473 N HIS A 109 0.592 -8.695 -2.032 1.00 11.33 N ATOM 1474 CA HIS A 109 -0.684 -8.103 -1.621 1.00 52.54 C ATOM 1475 C HIS A 109 -0.491 -6.632 -1.228 1.00 50.03 C ATOM 1476 O HIS A 109 0.570 -6.251 -0.739 1.00 60.43 O ATOM 1477 CB HIS A 109 -1.288 -8.908 -0.461 1.00 24.51 C ATOM 1478 CG HIS A 109 -2.481 -8.260 0.173 1.00 64.51 C ATOM 1479 ND1 HIS A 109 -3.532 -7.799 -0.582 1.00 13.40 N ATOM 1480 CD2 HIS A 109 -2.729 -8.011 1.480 1.00 31.21 C ATOM 1481 CE1 HIS A 109 -4.391 -7.282 0.280 1.00 62.13 C ATOM 1482 NE2 HIS A 109 -3.947 -7.390 1.541 1.00 74.23 N ATOM 0 H HIS A 109 1.391 -8.390 -1.477 1.00 11.33 H new ATOM 0 HA HIS A 109 -1.377 -8.138 -2.461 1.00 52.54 H new ATOM 0 HB2 HIS A 109 -1.574 -9.894 -0.827 1.00 24.51 H new ATOM 0 HB3 HIS A 109 -0.522 -9.060 0.300 1.00 24.51 H new ATOM 0 HD1 HIS A 109 -3.629 -7.846 -1.596 1.00 13.40 H new ATOM 0 HD2 HIS A 109 -2.089 -8.255 2.315 1.00 31.21 H new ATOM 0 HE1 HIS A 109 -5.332 -6.830 0.003 1.00 62.13 H new ATOM 1490 N VAL A 110 -1.509 -5.808 -1.461 1.00 42.31 N ATOM 1491 CA VAL A 110 -1.439 -4.376 -1.145 1.00 21.32 C ATOM 1492 C VAL A 110 -2.754 -3.863 -0.544 1.00 25.44 C ATOM 1493 O VAL A 110 -3.842 -4.297 -0.927 1.00 32.43 O ATOM 1494 CB VAL A 110 -1.090 -3.523 -2.395 1.00 23.32 C ATOM 1495 CG1 VAL A 110 0.372 -3.717 -2.803 1.00 35.20 C ATOM 1496 CG2 VAL A 110 -2.030 -3.855 -3.556 1.00 71.13 C ATOM 0 H VAL A 110 -2.396 -6.104 -1.868 1.00 42.31 H new ATOM 0 HA VAL A 110 -0.642 -4.269 -0.409 1.00 21.32 H new ATOM 0 HB VAL A 110 -1.227 -2.473 -2.136 1.00 23.32 H new ATOM 0 HG11 VAL A 110 0.589 -3.108 -3.681 1.00 35.20 H new ATOM 0 HG12 VAL A 110 1.022 -3.414 -1.982 1.00 35.20 H new ATOM 0 HG13 VAL A 110 0.548 -4.767 -3.037 1.00 35.20 H new ATOM 0 HG21 VAL A 110 -1.768 -3.246 -4.422 1.00 71.13 H new ATOM 0 HG22 VAL A 110 -1.934 -4.910 -3.812 1.00 71.13 H new ATOM 0 HG23 VAL A 110 -3.059 -3.645 -3.263 1.00 71.13 H new ATOM 1506 N ALA A 111 -2.638 -2.933 0.398 1.00 55.42 N ATOM 1507 CA ALA A 111 -3.802 -2.315 1.036 1.00 61.20 C ATOM 1508 C ALA A 111 -3.504 -0.856 1.410 1.00 4.02 C ATOM 1509 O ALA A 111 -2.345 -0.483 1.620 1.00 21.14 O ATOM 1510 CB ALA A 111 -4.224 -3.113 2.266 1.00 53.54 C ATOM 0 H ALA A 111 -1.742 -2.586 0.741 1.00 55.42 H new ATOM 0 HA ALA A 111 -4.628 -2.321 0.324 1.00 61.20 H new ATOM 0 HB1 ALA A 111 -5.090 -2.639 2.727 1.00 53.54 H new ATOM 0 HB2 ALA A 111 -4.481 -4.130 1.969 1.00 53.54 H new ATOM 0 HB3 ALA A 111 -3.402 -3.141 2.981 1.00 53.54 H new ATOM 1516 N TYR A 112 -4.544 -0.031 1.484 1.00 11.14 N ATOM 1517 CA TYR A 112 -4.375 1.389 1.809 1.00 55.51 C ATOM 1518 C TYR A 112 -4.420 1.619 3.329 1.00 70.32 C ATOM 1519 O TYR A 112 -5.343 1.173 4.012 1.00 1.02 O ATOM 1520 CB TYR A 112 -5.453 2.231 1.109 1.00 2.44 C ATOM 1521 CG TYR A 112 -5.215 3.732 1.208 1.00 41.22 C ATOM 1522 CD1 TYR A 112 -4.324 4.371 0.351 1.00 33.13 C ATOM 1523 CD2 TYR A 112 -5.879 4.508 2.155 1.00 71.20 C ATOM 1524 CE1 TYR A 112 -4.104 5.734 0.433 1.00 52.13 C ATOM 1525 CE2 TYR A 112 -5.662 5.871 2.243 1.00 25.45 C ATOM 1526 CZ TYR A 112 -4.774 6.477 1.379 1.00 35.34 C ATOM 1527 OH TYR A 112 -4.556 7.834 1.458 1.00 3.25 O ATOM 0 H TYR A 112 -5.510 -0.316 1.325 1.00 11.14 H new ATOM 0 HA TYR A 112 -3.395 1.703 1.449 1.00 55.51 H new ATOM 0 HB2 TYR A 112 -5.498 1.947 0.057 1.00 2.44 H new ATOM 0 HB3 TYR A 112 -6.425 1.996 1.544 1.00 2.44 H new ATOM 0 HD1 TYR A 112 -3.795 3.792 -0.391 1.00 33.13 H new ATOM 0 HD2 TYR A 112 -6.576 4.037 2.833 1.00 71.20 H new ATOM 0 HE1 TYR A 112 -3.410 6.213 -0.242 1.00 52.13 H new ATOM 0 HE2 TYR A 112 -6.185 6.457 2.984 1.00 25.45 H new ATOM 0 HH TYR A 112 -3.641 8.035 1.172 1.00 3.25 H new ATOM 1537 N VAL A 113 -3.416 2.317 3.848 1.00 62.25 N ATOM 1538 CA VAL A 113 -3.320 2.595 5.285 1.00 45.34 C ATOM 1539 C VAL A 113 -4.305 3.697 5.718 1.00 30.14 C ATOM 1540 O VAL A 113 -4.095 4.880 5.433 1.00 25.24 O ATOM 1541 CB VAL A 113 -1.878 3.015 5.676 1.00 30.04 C ATOM 1542 CG1 VAL A 113 -1.766 3.257 7.182 1.00 3.31 C ATOM 1543 CG2 VAL A 113 -0.867 1.965 5.216 1.00 1.34 C ATOM 0 H VAL A 113 -2.651 2.704 3.296 1.00 62.25 H new ATOM 0 HA VAL A 113 -3.580 1.672 5.803 1.00 45.34 H new ATOM 0 HB VAL A 113 -1.650 3.953 5.169 1.00 30.04 H new ATOM 0 HG11 VAL A 113 -0.745 3.550 7.429 1.00 3.31 H new ATOM 0 HG12 VAL A 113 -2.452 4.051 7.475 1.00 3.31 H new ATOM 0 HG13 VAL A 113 -2.020 2.342 7.717 1.00 3.31 H new ATOM 0 HG21 VAL A 113 0.138 2.278 5.500 1.00 1.34 H new ATOM 0 HG22 VAL A 113 -1.096 1.009 5.687 1.00 1.34 H new ATOM 0 HG23 VAL A 113 -0.921 1.858 4.133 1.00 1.34 H new ATOM 1553 N GLU A 114 -5.375 3.300 6.410 1.00 51.40 N ATOM 1554 CA GLU A 114 -6.390 4.245 6.893 1.00 44.40 C ATOM 1555 C GLU A 114 -5.881 5.044 8.103 1.00 64.24 C ATOM 1556 O GLU A 114 -5.934 6.275 8.117 1.00 54.14 O ATOM 1557 CB GLU A 114 -7.678 3.497 7.282 1.00 13.33 C ATOM 1558 CG GLU A 114 -8.328 2.709 6.145 1.00 1.13 C ATOM 1559 CD GLU A 114 -8.807 3.591 4.997 1.00 34.42 C ATOM 1560 OE1 GLU A 114 -9.641 4.490 5.232 1.00 13.43 O ATOM 1561 OE2 GLU A 114 -8.360 3.387 3.852 1.00 60.11 O ATOM 0 H GLU A 114 -5.563 2.327 6.650 1.00 51.40 H new ATOM 0 HA GLU A 114 -6.602 4.941 6.081 1.00 44.40 H new ATOM 0 HB2 GLU A 114 -7.451 2.811 8.098 1.00 13.33 H new ATOM 0 HB3 GLU A 114 -8.400 4.219 7.664 1.00 13.33 H new ATOM 0 HG2 GLU A 114 -7.613 1.982 5.761 1.00 1.13 H new ATOM 0 HG3 GLU A 114 -9.174 2.146 6.539 1.00 1.13 H new ATOM 1568 N ASN A 115 -5.381 4.336 9.119 1.00 40.20 N ATOM 1569 CA ASN A 115 -4.923 4.986 10.356 1.00 10.04 C ATOM 1570 C ASN A 115 -3.764 4.225 11.022 1.00 34.15 C ATOM 1571 O ASN A 115 -3.691 2.995 10.969 1.00 35.12 O ATOM 1572 CB ASN A 115 -6.103 5.135 11.332 1.00 23.23 C ATOM 1573 CG ASN A 115 -5.705 5.774 12.655 1.00 34.24 C ATOM 1574 OD1 ASN A 115 -5.659 6.994 12.784 1.00 23.23 O ATOM 1575 ND2 ASN A 115 -5.437 4.955 13.654 1.00 32.33 N ATOM 0 H ASN A 115 -5.282 3.321 9.113 1.00 40.20 H new ATOM 0 HA ASN A 115 -4.542 5.972 10.091 1.00 10.04 H new ATOM 0 HB2 ASN A 115 -6.881 5.738 10.863 1.00 23.23 H new ATOM 0 HB3 ASN A 115 -6.534 4.153 11.525 1.00 23.23 H new ATOM 0 HD21 ASN A 115 -5.182 5.331 14.567 1.00 32.33 H new ATOM 0 HD22 ASN A 115 -5.485 3.946 13.513 1.00 32.33 H new ATOM 1582 N VAL A 116 -2.856 4.978 11.644 1.00 32.43 N ATOM 1583 CA VAL A 116 -1.716 4.403 12.368 1.00 11.53 C ATOM 1584 C VAL A 116 -1.783 4.759 13.859 1.00 60.42 C ATOM 1585 O VAL A 116 -1.957 5.924 14.225 1.00 14.33 O ATOM 1586 CB VAL A 116 -0.365 4.904 11.796 1.00 61.53 C ATOM 1587 CG1 VAL A 116 0.815 4.287 12.548 1.00 13.30 C ATOM 1588 CG2 VAL A 116 -0.269 4.610 10.302 1.00 42.34 C ATOM 0 H VAL A 116 -2.887 5.997 11.662 1.00 32.43 H new ATOM 0 HA VAL A 116 -1.774 3.322 12.243 1.00 11.53 H new ATOM 0 HB VAL A 116 -0.322 5.984 11.935 1.00 61.53 H new ATOM 0 HG11 VAL A 116 1.749 4.656 12.125 1.00 13.30 H new ATOM 0 HG12 VAL A 116 0.759 4.562 13.601 1.00 13.30 H new ATOM 0 HG13 VAL A 116 0.779 3.202 12.454 1.00 13.30 H new ATOM 0 HG21 VAL A 116 0.687 4.970 9.921 1.00 42.34 H new ATOM 0 HG22 VAL A 116 -0.344 3.535 10.137 1.00 42.34 H new ATOM 0 HG23 VAL A 116 -1.081 5.115 9.779 1.00 42.34 H new ATOM 1598 N ASN A 117 -1.643 3.752 14.712 1.00 62.54 N ATOM 1599 CA ASN A 117 -1.680 3.947 16.163 1.00 21.11 C ATOM 1600 C ASN A 117 -0.284 4.266 16.721 1.00 42.41 C ATOM 1601 O ASN A 117 0.729 3.782 16.204 1.00 23.13 O ATOM 1602 CB ASN A 117 -2.251 2.695 16.836 1.00 74.42 C ATOM 1603 CG ASN A 117 -3.695 2.446 16.435 1.00 31.22 C ATOM 1604 OD1 ASN A 117 -4.615 2.884 17.110 1.00 10.05 O ATOM 1605 ND2 ASN A 117 -3.908 1.764 15.325 1.00 63.54 N ATOM 0 H ASN A 117 -1.502 2.784 14.425 1.00 62.54 H new ATOM 0 HA ASN A 117 -2.324 4.800 16.379 1.00 21.11 H new ATOM 0 HB2 ASN A 117 -1.645 1.830 16.567 1.00 74.42 H new ATOM 0 HB3 ASN A 117 -2.188 2.804 17.919 1.00 74.42 H new ATOM 0 HD21 ASN A 117 -4.862 1.590 15.009 1.00 63.54 H new ATOM 0 HD22 ASN A 117 -3.119 1.412 14.784 1.00 63.54 H new ATOM 1612 N SER A 118 -0.234 5.077 17.776 1.00 55.23 N ATOM 1613 CA SER A 118 1.040 5.464 18.407 1.00 14.03 C ATOM 1614 C SER A 118 1.848 4.235 18.839 1.00 53.31 C ATOM 1615 O SER A 118 3.074 4.214 18.730 1.00 62.23 O ATOM 1616 CB SER A 118 0.789 6.362 19.624 1.00 11.31 C ATOM 1617 OG SER A 118 0.040 5.681 20.622 1.00 10.11 O ATOM 0 H SER A 118 -1.059 5.483 18.217 1.00 55.23 H new ATOM 0 HA SER A 118 1.616 6.014 17.663 1.00 14.03 H new ATOM 0 HB2 SER A 118 1.742 6.688 20.041 1.00 11.31 H new ATOM 0 HB3 SER A 118 0.253 7.259 19.313 1.00 11.31 H new ATOM 0 HG SER A 118 -0.104 6.277 21.387 1.00 10.11 H new ATOM 1623 N ASP A 119 1.146 3.211 19.320 1.00 41.42 N ATOM 1624 CA ASP A 119 1.776 1.950 19.724 1.00 45.53 C ATOM 1625 C ASP A 119 2.490 1.264 18.542 1.00 74.41 C ATOM 1626 O ASP A 119 3.398 0.453 18.734 1.00 45.31 O ATOM 1627 CB ASP A 119 0.716 1.018 20.310 1.00 34.51 C ATOM 1628 CG ASP A 119 -0.128 1.715 21.361 1.00 60.22 C ATOM 1629 OD1 ASP A 119 0.294 1.760 22.536 1.00 1.14 O ATOM 1630 OD2 ASP A 119 -1.203 2.245 21.011 1.00 23.02 O ATOM 0 H ASP A 119 0.133 3.228 19.441 1.00 41.42 H new ATOM 0 HA ASP A 119 2.531 2.173 20.478 1.00 45.53 H new ATOM 0 HB2 ASP A 119 0.072 0.652 19.511 1.00 34.51 H new ATOM 0 HB3 ASP A 119 1.201 0.148 20.752 1.00 34.51 H new ATOM 1635 N GLY A 120 2.073 1.602 17.319 1.00 62.24 N ATOM 1636 CA GLY A 120 2.688 1.034 16.120 1.00 63.51 C ATOM 1637 C GLY A 120 1.703 0.288 15.223 1.00 23.32 C ATOM 1638 O GLY A 120 1.968 0.086 14.040 1.00 3.45 O ATOM 0 H GLY A 120 1.317 2.262 17.135 1.00 62.24 H new ATOM 0 HA2 GLY A 120 3.154 1.835 15.546 1.00 63.51 H new ATOM 0 HA3 GLY A 120 3.484 0.351 16.418 1.00 63.51 H new ATOM 1642 N SER A 121 0.572 -0.126 15.788 1.00 65.34 N ATOM 1643 CA SER A 121 -0.439 -0.894 15.043 1.00 12.42 C ATOM 1644 C SER A 121 -0.955 -0.132 13.816 1.00 50.12 C ATOM 1645 O SER A 121 -1.430 1.001 13.927 1.00 11.10 O ATOM 1646 CB SER A 121 -1.619 -1.244 15.954 1.00 45.43 C ATOM 1647 OG SER A 121 -1.180 -1.883 17.143 1.00 21.33 O ATOM 0 H SER A 121 0.326 0.055 16.761 1.00 65.34 H new ATOM 0 HA SER A 121 0.046 -1.806 14.695 1.00 12.42 H new ATOM 0 HB2 SER A 121 -2.167 -0.337 16.207 1.00 45.43 H new ATOM 0 HB3 SER A 121 -2.311 -1.897 15.422 1.00 45.43 H new ATOM 0 HG SER A 121 -1.954 -2.093 17.706 1.00 21.33 H new ATOM 1653 N VAL A 122 -0.883 -0.777 12.655 1.00 13.14 N ATOM 1654 CA VAL A 122 -1.294 -0.167 11.383 1.00 65.04 C ATOM 1655 C VAL A 122 -2.629 -0.746 10.896 1.00 32.13 C ATOM 1656 O VAL A 122 -2.768 -1.955 10.706 1.00 14.14 O ATOM 1657 CB VAL A 122 -0.218 -0.383 10.289 1.00 15.34 C ATOM 1658 CG1 VAL A 122 -0.610 0.309 8.984 1.00 43.01 C ATOM 1659 CG2 VAL A 122 1.146 0.103 10.776 1.00 24.51 C ATOM 0 H VAL A 122 -0.540 -1.733 12.564 1.00 13.14 H new ATOM 0 HA VAL A 122 -1.413 0.901 11.564 1.00 65.04 H new ATOM 0 HB VAL A 122 -0.150 -1.452 10.088 1.00 15.34 H new ATOM 0 HG11 VAL A 122 0.164 0.140 8.236 1.00 43.01 H new ATOM 0 HG12 VAL A 122 -1.556 -0.098 8.626 1.00 43.01 H new ATOM 0 HG13 VAL A 122 -0.718 1.380 9.158 1.00 43.01 H new ATOM 0 HG21 VAL A 122 1.889 -0.057 9.995 1.00 24.51 H new ATOM 0 HG22 VAL A 122 1.090 1.166 11.012 1.00 24.51 H new ATOM 0 HG23 VAL A 122 1.433 -0.453 11.669 1.00 24.51 H new ATOM 1669 N GLU A 123 -3.606 0.130 10.690 1.00 62.41 N ATOM 1670 CA GLU A 123 -4.942 -0.277 10.251 1.00 73.52 C ATOM 1671 C GLU A 123 -5.144 0.019 8.757 1.00 13.43 C ATOM 1672 O GLU A 123 -5.237 1.180 8.339 1.00 25.41 O ATOM 1673 CB GLU A 123 -5.994 0.444 11.100 1.00 61.51 C ATOM 1674 CG GLU A 123 -5.839 0.182 12.597 1.00 24.51 C ATOM 1675 CD GLU A 123 -6.769 1.027 13.453 1.00 71.41 C ATOM 1676 OE1 GLU A 123 -6.400 2.174 13.785 1.00 3.04 O ATOM 1677 OE2 GLU A 123 -7.864 0.546 13.805 1.00 21.23 O ATOM 0 H GLU A 123 -3.499 1.136 10.821 1.00 62.41 H new ATOM 0 HA GLU A 123 -5.050 -1.353 10.386 1.00 73.52 H new ATOM 0 HB2 GLU A 123 -5.928 1.516 10.916 1.00 61.51 H new ATOM 0 HB3 GLU A 123 -6.988 0.127 10.783 1.00 61.51 H new ATOM 0 HG2 GLU A 123 -6.030 -0.872 12.796 1.00 24.51 H new ATOM 0 HG3 GLU A 123 -4.808 0.380 12.889 1.00 24.51 H new ATOM 1684 N VAL A 124 -5.196 -1.040 7.956 1.00 23.11 N ATOM 1685 CA VAL A 124 -5.335 -0.917 6.500 1.00 54.43 C ATOM 1686 C VAL A 124 -6.722 -1.377 6.025 1.00 31.22 C ATOM 1687 O VAL A 124 -7.424 -2.103 6.729 1.00 53.30 O ATOM 1688 CB VAL A 124 -4.245 -1.738 5.763 1.00 12.31 C ATOM 1689 CG1 VAL A 124 -2.848 -1.242 6.137 1.00 11.42 C ATOM 1690 CG2 VAL A 124 -4.388 -3.230 6.065 1.00 24.40 C ATOM 0 H VAL A 124 -5.144 -2.003 8.289 1.00 23.11 H new ATOM 0 HA VAL A 124 -5.213 0.139 6.260 1.00 54.43 H new ATOM 0 HB VAL A 124 -4.382 -1.595 4.691 1.00 12.31 H new ATOM 0 HG11 VAL A 124 -2.099 -1.832 5.609 1.00 11.42 H new ATOM 0 HG12 VAL A 124 -2.747 -0.193 5.858 1.00 11.42 H new ATOM 0 HG13 VAL A 124 -2.700 -1.347 7.212 1.00 11.42 H new ATOM 0 HG21 VAL A 124 -3.612 -3.784 5.537 1.00 24.40 H new ATOM 0 HG22 VAL A 124 -4.286 -3.396 7.137 1.00 24.40 H new ATOM 0 HG23 VAL A 124 -5.368 -3.575 5.737 1.00 24.40 H new ATOM 1700 N SER A 125 -7.111 -0.950 4.827 1.00 21.13 N ATOM 1701 CA SER A 125 -8.415 -1.324 4.258 1.00 43.32 C ATOM 1702 C SER A 125 -8.266 -2.330 3.106 1.00 21.03 C ATOM 1703 O SER A 125 -7.534 -2.093 2.140 1.00 22.44 O ATOM 1704 CB SER A 125 -9.172 -0.075 3.779 1.00 32.14 C ATOM 1705 OG SER A 125 -8.434 0.653 2.805 1.00 63.23 O ATOM 0 H SER A 125 -6.548 -0.346 4.228 1.00 21.13 H new ATOM 0 HA SER A 125 -8.990 -1.807 5.048 1.00 43.32 H new ATOM 0 HB2 SER A 125 -10.133 -0.372 3.359 1.00 32.14 H new ATOM 0 HB3 SER A 125 -9.383 0.571 4.632 1.00 32.14 H new ATOM 0 HG SER A 125 -8.281 1.566 3.126 1.00 63.23 H new ATOM 1711 N GLU A 126 -8.956 -3.463 3.232 1.00 1.20 N ATOM 1712 CA GLU A 126 -8.962 -4.511 2.201 1.00 21.42 C ATOM 1713 C GLU A 126 -10.315 -4.568 1.474 1.00 11.21 C ATOM 1714 O GLU A 126 -11.216 -3.770 1.743 1.00 12.35 O ATOM 1715 CB GLU A 126 -8.663 -5.884 2.829 1.00 13.53 C ATOM 1716 CG GLU A 126 -7.352 -5.946 3.606 1.00 52.31 C ATOM 1717 CD GLU A 126 -7.073 -7.327 4.186 1.00 1.53 C ATOM 1718 OE1 GLU A 126 -7.881 -7.803 5.008 1.00 75.22 O ATOM 1719 OE2 GLU A 126 -6.030 -7.932 3.830 1.00 21.41 O ATOM 0 H GLU A 126 -9.527 -3.684 4.048 1.00 1.20 H new ATOM 0 HA GLU A 126 -8.186 -4.265 1.477 1.00 21.42 H new ATOM 0 HB2 GLU A 126 -9.481 -6.151 3.498 1.00 13.53 H new ATOM 0 HB3 GLU A 126 -8.640 -6.635 2.039 1.00 13.53 H new ATOM 0 HG2 GLU A 126 -6.531 -5.661 2.948 1.00 52.31 H new ATOM 0 HG3 GLU A 126 -7.380 -5.216 4.415 1.00 52.31 H new ATOM 1726 N MET A 127 -10.458 -5.530 0.565 1.00 20.41 N ATOM 1727 CA MET A 127 -11.692 -5.689 -0.214 1.00 32.42 C ATOM 1728 C MET A 127 -12.044 -7.169 -0.413 1.00 12.34 C ATOM 1729 O MET A 127 -11.181 -7.982 -0.743 1.00 54.20 O ATOM 1730 CB MET A 127 -11.541 -5.000 -1.578 1.00 54.32 C ATOM 1731 CG MET A 127 -12.644 -5.337 -2.577 1.00 23.31 C ATOM 1732 SD MET A 127 -14.298 -4.967 -1.960 1.00 51.20 S ATOM 1733 CE MET A 127 -14.257 -3.178 -1.918 1.00 43.32 C ATOM 0 H MET A 127 -9.734 -6.215 0.347 1.00 20.41 H new ATOM 0 HA MET A 127 -12.504 -5.222 0.344 1.00 32.42 H new ATOM 0 HB2 MET A 127 -11.521 -3.921 -1.427 1.00 54.32 H new ATOM 0 HB3 MET A 127 -10.579 -5.279 -2.008 1.00 54.32 H new ATOM 0 HG2 MET A 127 -12.474 -4.780 -3.498 1.00 23.31 H new ATOM 0 HG3 MET A 127 -12.586 -6.396 -2.829 1.00 23.31 H new ATOM 0 HE1 MET A 127 -15.257 -2.796 -1.711 1.00 43.32 H new ATOM 0 HE2 MET A 127 -13.573 -2.848 -1.136 1.00 43.32 H new ATOM 0 HE3 MET A 127 -13.916 -2.799 -2.881 1.00 43.32 H new ATOM 1878 N GLU A 138 -11.526 -3.786 7.149 1.00 44.23 N ATOM 1879 CA GLU A 138 -10.494 -3.044 7.881 1.00 21.31 C ATOM 1880 C GLU A 138 -9.634 -3.984 8.742 1.00 31.34 C ATOM 1881 O GLU A 138 -10.096 -4.532 9.742 1.00 73.53 O ATOM 1882 CB GLU A 138 -11.159 -1.964 8.740 1.00 61.00 C ATOM 1883 CG GLU A 138 -11.936 -0.942 7.910 1.00 54.14 C ATOM 1884 CD GLU A 138 -12.894 -0.103 8.737 1.00 73.00 C ATOM 1885 OE1 GLU A 138 -12.465 0.926 9.294 1.00 61.41 O ATOM 1886 OE2 GLU A 138 -14.088 -0.467 8.817 1.00 32.05 O ATOM 0 HA GLU A 138 -9.826 -2.568 7.163 1.00 21.31 H new ATOM 0 HB2 GLU A 138 -11.836 -2.438 9.451 1.00 61.00 H new ATOM 0 HB3 GLU A 138 -10.395 -1.448 9.322 1.00 61.00 H new ATOM 0 HG2 GLU A 138 -11.231 -0.283 7.404 1.00 54.14 H new ATOM 0 HG3 GLU A 138 -12.497 -1.464 7.135 1.00 54.14 H new ATOM 1893 N ARG A 139 -8.380 -4.157 8.336 1.00 53.23 N ATOM 1894 CA ARG A 139 -7.468 -5.130 8.949 1.00 60.40 C ATOM 1895 C ARG A 139 -6.374 -4.431 9.779 1.00 62.45 C ATOM 1896 O ARG A 139 -5.606 -3.621 9.255 1.00 60.42 O ATOM 1897 CB ARG A 139 -6.837 -5.968 7.831 1.00 25.12 C ATOM 1898 CG ARG A 139 -6.014 -7.163 8.297 1.00 13.34 C ATOM 1899 CD ARG A 139 -5.454 -7.919 7.100 1.00 72.35 C ATOM 1900 NE ARG A 139 -4.782 -9.160 7.463 1.00 41.23 N ATOM 1901 CZ ARG A 139 -4.436 -10.075 6.598 1.00 43.00 C ATOM 1902 NH1 ARG A 139 -4.740 -9.942 5.342 1.00 1.01 N ATOM 1903 NH2 ARG A 139 -3.813 -11.132 6.997 1.00 71.23 N ATOM 0 H ARG A 139 -7.962 -3.627 7.571 1.00 53.23 H new ATOM 0 HA ARG A 139 -8.029 -5.769 9.631 1.00 60.40 H new ATOM 0 HB2 ARG A 139 -7.631 -6.328 7.177 1.00 25.12 H new ATOM 0 HB3 ARG A 139 -6.198 -5.320 7.230 1.00 25.12 H new ATOM 0 HG2 ARG A 139 -5.198 -6.824 8.936 1.00 13.34 H new ATOM 0 HG3 ARG A 139 -6.634 -7.828 8.898 1.00 13.34 H new ATOM 0 HD2 ARG A 139 -6.266 -8.143 6.409 1.00 72.35 H new ATOM 0 HD3 ARG A 139 -4.752 -7.276 6.569 1.00 72.35 H new ATOM 0 HE ARG A 139 -4.570 -9.323 8.447 1.00 41.23 H new ATOM 0 HH11 ARG A 139 -5.252 -9.119 5.026 1.00 1.01 H new ATOM 0 HH12 ARG A 139 -4.466 -10.661 4.672 1.00 1.01 H new ATOM 0 HH21 ARG A 139 -3.592 -11.251 7.986 1.00 71.23 H new ATOM 0 HH22 ARG A 139 -3.541 -11.849 6.324 1.00 71.23 H new ATOM 1917 N THR A 140 -6.309 -4.748 11.073 1.00 75.32 N ATOM 1918 CA THR A 140 -5.313 -4.148 11.974 1.00 42.31 C ATOM 1919 C THR A 140 -4.068 -5.039 12.109 1.00 24.44 C ATOM 1920 O THR A 140 -4.087 -6.056 12.803 1.00 65.11 O ATOM 1921 CB THR A 140 -5.907 -3.889 13.382 1.00 74.34 C ATOM 1922 OG1 THR A 140 -7.084 -3.072 13.274 1.00 13.31 O ATOM 1923 CG2 THR A 140 -4.894 -3.204 14.296 1.00 3.10 C ATOM 0 H THR A 140 -6.933 -5.417 11.525 1.00 75.32 H new ATOM 0 HA THR A 140 -5.023 -3.196 11.529 1.00 42.31 H new ATOM 0 HB THR A 140 -6.165 -4.854 13.819 1.00 74.34 H new ATOM 0 HG1 THR A 140 -7.455 -2.914 14.167 1.00 13.31 H new ATOM 0 HG21 THR A 140 -5.342 -3.037 15.275 1.00 3.10 H new ATOM 0 HG22 THR A 140 -4.014 -3.838 14.403 1.00 3.10 H new ATOM 0 HG23 THR A 140 -4.602 -2.247 13.863 1.00 3.10 H new ATOM 1931 N ILE A 141 -2.985 -4.653 11.439 1.00 22.24 N ATOM 1932 CA ILE A 141 -1.740 -5.430 11.458 1.00 32.13 C ATOM 1933 C ILE A 141 -0.803 -4.958 12.585 1.00 55.03 C ATOM 1934 O ILE A 141 -0.710 -3.759 12.869 1.00 72.03 O ATOM 1935 CB ILE A 141 -1.002 -5.325 10.099 1.00 35.41 C ATOM 1936 CG1 ILE A 141 -1.934 -5.767 8.954 1.00 20.33 C ATOM 1937 CG2 ILE A 141 0.276 -6.167 10.107 1.00 73.14 C ATOM 1938 CD1 ILE A 141 -1.305 -5.666 7.579 1.00 61.31 C ATOM 0 H ILE A 141 -2.941 -3.805 10.874 1.00 22.24 H new ATOM 0 HA ILE A 141 -2.012 -6.470 11.640 1.00 32.13 H new ATOM 0 HB ILE A 141 -0.719 -4.285 9.939 1.00 35.41 H new ATOM 0 HG12 ILE A 141 -2.243 -6.798 9.127 1.00 20.33 H new ATOM 0 HG13 ILE A 141 -2.836 -5.156 8.976 1.00 20.33 H new ATOM 0 HG21 ILE A 141 0.777 -6.078 9.143 1.00 73.14 H new ATOM 0 HG22 ILE A 141 0.940 -5.813 10.895 1.00 73.14 H new ATOM 0 HG23 ILE A 141 0.022 -7.211 10.289 1.00 73.14 H new ATOM 0 HD11 ILE A 141 -2.022 -5.994 6.826 1.00 61.31 H new ATOM 0 HD12 ILE A 141 -1.021 -4.632 7.384 1.00 61.31 H new ATOM 0 HD13 ILE A 141 -0.419 -6.299 7.537 1.00 61.31 H new ATOM 1950 N SER A 142 -0.109 -5.908 13.221 1.00 40.34 N ATOM 1951 CA SER A 142 0.839 -5.588 14.299 1.00 72.12 C ATOM 1952 C SER A 142 2.049 -4.810 13.768 1.00 3.43 C ATOM 1953 O SER A 142 2.521 -5.066 12.660 1.00 71.23 O ATOM 1954 CB SER A 142 1.330 -6.869 14.984 1.00 60.42 C ATOM 1955 OG SER A 142 0.248 -7.639 15.489 1.00 54.34 O ATOM 0 H SER A 142 -0.184 -6.903 13.010 1.00 40.34 H new ATOM 0 HA SER A 142 0.309 -4.966 15.020 1.00 72.12 H new ATOM 0 HB2 SER A 142 1.902 -7.466 14.274 1.00 60.42 H new ATOM 0 HB3 SER A 142 2.005 -6.610 15.800 1.00 60.42 H new ATOM 0 HG SER A 142 0.595 -8.449 15.918 1.00 54.34 H new ATOM 1961 N ALA A 143 2.557 -3.885 14.577 1.00 64.51 N ATOM 1962 CA ALA A 143 3.681 -3.021 14.186 1.00 45.33 C ATOM 1963 C ALA A 143 4.869 -3.808 13.602 1.00 44.01 C ATOM 1964 O ALA A 143 5.413 -3.440 12.560 1.00 42.44 O ATOM 1965 CB ALA A 143 4.146 -2.209 15.383 1.00 63.40 C ATOM 0 H ALA A 143 2.208 -3.709 15.519 1.00 64.51 H new ATOM 0 HA ALA A 143 3.315 -2.362 13.398 1.00 45.33 H new ATOM 0 HB1 ALA A 143 4.979 -1.571 15.088 1.00 63.40 H new ATOM 0 HB2 ALA A 143 3.325 -1.590 15.744 1.00 63.40 H new ATOM 0 HB3 ALA A 143 4.469 -2.883 16.177 1.00 63.40 H new ATOM 1971 N GLY A 144 5.268 -4.884 14.284 1.00 64.30 N ATOM 1972 CA GLY A 144 6.391 -5.704 13.831 1.00 11.44 C ATOM 1973 C GLY A 144 6.235 -6.212 12.398 1.00 54.10 C ATOM 1974 O GLY A 144 7.078 -5.943 11.538 1.00 52.25 O ATOM 0 H GLY A 144 4.832 -5.206 15.148 1.00 64.30 H new ATOM 0 HA2 GLY A 144 7.309 -5.121 13.904 1.00 11.44 H new ATOM 0 HA3 GLY A 144 6.501 -6.557 14.501 1.00 11.44 H new ATOM 1978 N GLU A 145 5.151 -6.941 12.137 1.00 21.44 N ATOM 1979 CA GLU A 145 4.876 -7.477 10.795 1.00 12.23 C ATOM 1980 C GLU A 145 4.663 -6.341 9.782 1.00 13.52 C ATOM 1981 O GLU A 145 5.163 -6.387 8.657 1.00 41.24 O ATOM 1982 CB GLU A 145 3.633 -8.382 10.835 1.00 71.52 C ATOM 1983 CG GLU A 145 3.250 -8.987 9.485 1.00 54.53 C ATOM 1984 CD GLU A 145 4.239 -10.034 8.979 1.00 20.01 C ATOM 1985 OE1 GLU A 145 4.138 -11.205 9.406 1.00 25.50 O ATOM 1986 OE2 GLU A 145 5.102 -9.705 8.138 1.00 42.52 O ATOM 0 H GLU A 145 4.445 -7.177 12.835 1.00 21.44 H new ATOM 0 HA GLU A 145 5.739 -8.062 10.478 1.00 12.23 H new ATOM 0 HB2 GLU A 145 3.809 -9.190 11.545 1.00 71.52 H new ATOM 0 HB3 GLU A 145 2.790 -7.804 11.213 1.00 71.52 H new ATOM 0 HG2 GLU A 145 2.263 -9.442 9.568 1.00 54.53 H new ATOM 0 HG3 GLU A 145 3.172 -8.188 8.748 1.00 54.53 H new ATOM 1993 N ALA A 146 3.934 -5.311 10.208 1.00 5.14 N ATOM 1994 CA ALA A 146 3.625 -4.154 9.358 1.00 43.52 C ATOM 1995 C ALA A 146 4.895 -3.471 8.823 1.00 54.33 C ATOM 1996 O ALA A 146 5.036 -3.260 7.619 1.00 15.13 O ATOM 1997 CB ALA A 146 2.774 -3.156 10.137 1.00 2.22 C ATOM 0 H ALA A 146 3.541 -5.251 11.147 1.00 5.14 H new ATOM 0 HA ALA A 146 3.068 -4.516 8.494 1.00 43.52 H new ATOM 0 HB1 ALA A 146 2.547 -2.299 9.503 1.00 2.22 H new ATOM 0 HB2 ALA A 146 1.845 -3.634 10.447 1.00 2.22 H new ATOM 0 HB3 ALA A 146 3.321 -2.821 11.018 1.00 2.22 H new ATOM 2003 N SER A 147 5.828 -3.150 9.723 1.00 53.24 N ATOM 2004 CA SER A 147 7.076 -2.460 9.346 1.00 55.12 C ATOM 2005 C SER A 147 7.960 -3.309 8.415 1.00 73.14 C ATOM 2006 O SER A 147 8.932 -2.808 7.843 1.00 71.11 O ATOM 2007 CB SER A 147 7.880 -2.071 10.597 1.00 2.01 C ATOM 2008 OG SER A 147 7.128 -1.222 11.458 1.00 40.32 O ATOM 0 H SER A 147 5.748 -3.355 10.719 1.00 53.24 H new ATOM 0 HA SER A 147 6.782 -1.563 8.802 1.00 55.12 H new ATOM 0 HB2 SER A 147 8.173 -2.971 11.137 1.00 2.01 H new ATOM 0 HB3 SER A 147 8.798 -1.566 10.298 1.00 2.01 H new ATOM 0 HG SER A 147 6.456 -1.752 11.935 1.00 40.32 H new ATOM 2014 N SER A 148 7.626 -4.594 8.272 1.00 73.34 N ATOM 2015 CA SER A 148 8.361 -5.496 7.369 1.00 53.54 C ATOM 2016 C SER A 148 7.865 -5.358 5.923 1.00 12.22 C ATOM 2017 O SER A 148 8.471 -5.892 4.990 1.00 23.54 O ATOM 2018 CB SER A 148 8.214 -6.953 7.828 1.00 13.11 C ATOM 2019 OG SER A 148 8.933 -7.841 6.979 1.00 63.32 O ATOM 0 H SER A 148 6.852 -5.037 8.768 1.00 73.34 H new ATOM 0 HA SER A 148 9.413 -5.213 7.403 1.00 53.54 H new ATOM 0 HB2 SER A 148 8.577 -7.052 8.851 1.00 13.11 H new ATOM 0 HB3 SER A 148 7.160 -7.229 7.836 1.00 13.11 H new ATOM 0 HG SER A 148 9.086 -7.412 6.111 1.00 63.32 H new ATOM 2025 N TYR A 149 6.753 -4.647 5.745 1.00 24.45 N ATOM 2026 CA TYR A 149 6.182 -4.415 4.416 1.00 43.54 C ATOM 2027 C TYR A 149 6.676 -3.089 3.821 1.00 60.12 C ATOM 2028 O TYR A 149 7.027 -2.158 4.547 1.00 11.51 O ATOM 2029 CB TYR A 149 4.648 -4.428 4.489 1.00 71.31 C ATOM 2030 CG TYR A 149 4.075 -5.742 4.995 1.00 63.53 C ATOM 2031 CD1 TYR A 149 4.512 -6.955 4.473 1.00 22.33 C ATOM 2032 CD2 TYR A 149 3.098 -5.771 5.986 1.00 44.11 C ATOM 2033 CE1 TYR A 149 3.995 -8.155 4.920 1.00 35.11 C ATOM 2034 CE2 TYR A 149 2.576 -6.970 6.438 1.00 44.53 C ATOM 2035 CZ TYR A 149 3.028 -8.157 5.903 1.00 2.05 C ATOM 2036 OH TYR A 149 2.512 -9.356 6.346 1.00 15.11 O ATOM 0 H TYR A 149 6.226 -4.219 6.507 1.00 24.45 H new ATOM 0 HA TYR A 149 6.514 -5.220 3.761 1.00 43.54 H new ATOM 0 HB2 TYR A 149 4.317 -3.621 5.142 1.00 71.31 H new ATOM 0 HB3 TYR A 149 4.243 -4.222 3.498 1.00 71.31 H new ATOM 0 HD1 TYR A 149 5.270 -6.958 3.704 1.00 22.33 H new ATOM 0 HD2 TYR A 149 2.742 -4.843 6.409 1.00 44.11 H new ATOM 0 HE1 TYR A 149 4.346 -9.087 4.502 1.00 35.11 H new ATOM 0 HE2 TYR A 149 1.818 -6.976 7.207 1.00 44.53 H new ATOM 0 HH TYR A 149 1.842 -9.187 7.041 1.00 15.11 H new ATOM 2046 N ASN A 150 6.706 -3.014 2.493 1.00 45.33 N ATOM 2047 CA ASN A 150 7.177 -1.812 1.788 1.00 13.24 C ATOM 2048 C ASN A 150 6.048 -0.782 1.623 1.00 75.53 C ATOM 2049 O ASN A 150 5.088 -1.023 0.893 1.00 50.33 O ATOM 2050 CB ASN A 150 7.724 -2.209 0.410 1.00 4.21 C ATOM 2051 CG ASN A 150 8.875 -3.196 0.503 1.00 31.40 C ATOM 2052 OD1 ASN A 150 9.669 -3.161 1.438 1.00 21.23 O ATOM 2053 ND2 ASN A 150 8.966 -4.094 -0.457 1.00 60.11 N ATOM 0 H ASN A 150 6.410 -3.771 1.877 1.00 45.33 H new ATOM 0 HA ASN A 150 7.967 -1.353 2.383 1.00 13.24 H new ATOM 0 HB2 ASN A 150 6.921 -2.647 -0.184 1.00 4.21 H new ATOM 0 HB3 ASN A 150 8.058 -1.315 -0.116 1.00 4.21 H new ATOM 0 HD21 ASN A 150 9.713 -4.788 -0.437 1.00 60.11 H new ATOM 0 HD22 ASN A 150 8.289 -4.095 -1.220 1.00 60.11 H new ATOM 2060 N TYR A 151 6.165 0.361 2.302 1.00 31.11 N ATOM 2061 CA TYR A 151 5.154 1.426 2.213 1.00 34.44 C ATOM 2062 C TYR A 151 5.523 2.467 1.146 1.00 62.04 C ATOM 2063 O TYR A 151 6.507 3.202 1.284 1.00 21.53 O ATOM 2064 CB TYR A 151 4.975 2.119 3.571 1.00 62.32 C ATOM 2065 CG TYR A 151 4.376 1.227 4.639 1.00 30.54 C ATOM 2066 CD1 TYR A 151 5.172 0.368 5.388 1.00 53.13 C ATOM 2067 CD2 TYR A 151 3.010 1.246 4.897 1.00 2.44 C ATOM 2068 CE1 TYR A 151 4.623 -0.444 6.362 1.00 62.42 C ATOM 2069 CE2 TYR A 151 2.457 0.438 5.870 1.00 14.54 C ATOM 2070 CZ TYR A 151 3.266 -0.406 6.598 1.00 35.30 C ATOM 2071 OH TYR A 151 2.715 -1.208 7.570 1.00 4.33 O ATOM 0 H TYR A 151 6.947 0.576 2.920 1.00 31.11 H new ATOM 0 HA TYR A 151 4.214 0.956 1.923 1.00 34.44 H new ATOM 0 HB2 TYR A 151 5.944 2.480 3.914 1.00 62.32 H new ATOM 0 HB3 TYR A 151 4.337 2.993 3.441 1.00 62.32 H new ATOM 0 HD1 TYR A 151 6.236 0.335 5.206 1.00 53.13 H new ATOM 0 HD2 TYR A 151 2.371 1.904 4.327 1.00 2.44 H new ATOM 0 HE1 TYR A 151 5.255 -1.106 6.936 1.00 62.42 H new ATOM 0 HE2 TYR A 151 1.394 0.468 6.060 1.00 14.54 H new ATOM 0 HH TYR A 151 1.861 -1.567 7.252 1.00 4.33 H new ATOM 2081 N ILE A 152 4.728 2.533 0.085 1.00 53.22 N ATOM 2082 CA ILE A 152 4.931 3.519 -0.980 1.00 52.31 C ATOM 2083 C ILE A 152 4.364 4.892 -0.574 1.00 54.22 C ATOM 2084 O ILE A 152 3.214 5.002 -0.148 1.00 5.02 O ATOM 2085 CB ILE A 152 4.276 3.071 -2.320 1.00 14.02 C ATOM 2086 CG1 ILE A 152 4.890 1.750 -2.832 1.00 42.20 C ATOM 2087 CG2 ILE A 152 4.414 4.163 -3.384 1.00 42.41 C ATOM 2088 CD1 ILE A 152 4.439 0.509 -2.084 1.00 33.41 C ATOM 0 H ILE A 152 3.931 1.914 -0.065 1.00 53.22 H new ATOM 0 HA ILE A 152 6.008 3.599 -1.131 1.00 52.31 H new ATOM 0 HB ILE A 152 3.217 2.901 -2.126 1.00 14.02 H new ATOM 0 HG12 ILE A 152 4.639 1.633 -3.886 1.00 42.20 H new ATOM 0 HG13 ILE A 152 5.976 1.821 -2.769 1.00 42.20 H new ATOM 0 HG21 ILE A 152 3.949 3.828 -4.311 1.00 42.41 H new ATOM 0 HG22 ILE A 152 3.921 5.072 -3.039 1.00 42.41 H new ATOM 0 HG23 ILE A 152 5.470 4.368 -3.560 1.00 42.41 H new ATOM 0 HD11 ILE A 152 4.921 -0.370 -2.513 1.00 33.41 H new ATOM 0 HD12 ILE A 152 4.714 0.597 -1.033 1.00 33.41 H new ATOM 0 HD13 ILE A 152 3.357 0.407 -2.168 1.00 33.41 H new ATOM 2100 N HIS A 153 5.186 5.933 -0.697 1.00 0.33 N ATOM 2101 CA HIS A 153 4.764 7.301 -0.375 1.00 52.45 C ATOM 2102 C HIS A 153 4.909 8.214 -1.603 1.00 50.42 C ATOM 2103 O HIS A 153 5.840 8.058 -2.396 1.00 43.33 O ATOM 2104 CB HIS A 153 5.584 7.852 0.799 1.00 45.13 C ATOM 2105 CG HIS A 153 5.441 7.048 2.063 1.00 13.13 C ATOM 2106 ND1 HIS A 153 4.479 7.310 3.020 1.00 33.44 N ATOM 2107 CD2 HIS A 153 6.141 5.981 2.526 1.00 3.23 C ATOM 2108 CE1 HIS A 153 4.594 6.445 4.012 1.00 71.25 C ATOM 2109 NE2 HIS A 153 5.590 5.628 3.738 1.00 52.23 N ATOM 0 H HIS A 153 6.151 5.858 -1.018 1.00 0.33 H new ATOM 0 HA HIS A 153 3.714 7.277 -0.085 1.00 52.45 H new ATOM 0 HB2 HIS A 153 6.636 7.882 0.514 1.00 45.13 H new ATOM 0 HB3 HIS A 153 5.277 8.879 0.995 1.00 45.13 H new ATOM 0 HD2 HIS A 153 6.974 5.499 2.036 1.00 3.23 H new ATOM 0 HE1 HIS A 153 3.976 6.413 4.897 1.00 71.25 H new ATOM 0 HE2 HIS A 153 5.903 4.858 4.329 1.00 52.23 H new ATOM 2118 N LEU A 154 3.989 9.166 -1.746 1.00 33.14 N ATOM 2119 CA LEU A 154 3.927 10.019 -2.940 1.00 63.44 C ATOM 2120 C LEU A 154 4.599 11.388 -2.716 1.00 20.31 C ATOM 2121 O LEU A 154 4.305 12.092 -1.749 1.00 3.31 O ATOM 2122 CB LEU A 154 2.463 10.217 -3.355 1.00 63.23 C ATOM 2123 CG LEU A 154 1.657 8.916 -3.540 1.00 54.11 C ATOM 2124 CD1 LEU A 154 0.213 9.217 -3.935 1.00 2.04 C ATOM 2125 CD2 LEU A 154 2.315 8.008 -4.575 1.00 43.42 C ATOM 0 H LEU A 154 3.272 9.370 -1.049 1.00 33.14 H new ATOM 0 HA LEU A 154 4.477 9.515 -3.735 1.00 63.44 H new ATOM 0 HB2 LEU A 154 1.967 10.830 -2.602 1.00 63.23 H new ATOM 0 HB3 LEU A 154 2.438 10.778 -4.289 1.00 63.23 H new ATOM 0 HG LEU A 154 1.647 8.394 -2.583 1.00 54.11 H new ATOM 0 HD11 LEU A 154 -0.333 8.282 -4.059 1.00 2.04 H new ATOM 0 HD12 LEU A 154 -0.261 9.813 -3.155 1.00 2.04 H new ATOM 0 HD13 LEU A 154 0.201 9.771 -4.873 1.00 2.04 H new ATOM 0 HD21 LEU A 154 1.727 7.097 -4.687 1.00 43.42 H new ATOM 0 HD22 LEU A 154 2.367 8.526 -5.533 1.00 43.42 H new ATOM 0 HD23 LEU A 154 3.322 7.751 -4.246 1.00 43.42 H new