USER MOD reduce.3.24.130724 H: found=0, std=0, add=1103, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1094 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 905 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 912 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.42) USER MOD Set 2.1: A 814 LYS NZ :NH3+ -113:sc=-0.00442 (180deg=-0.259) USER MOD Set 2.2: A 902 GLN : amide:sc= -3.33 K(o=-3.3,f=-7.6!) USER MOD Single : A 793 SER OG : rot 180:sc= 0 USER MOD Single : A 794 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.31) USER MOD Single : A 796 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 798 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 803 LYS NZ :NH3+ -159:sc= -0.0121 (180deg=-0.758) USER MOD Single : A 805 ASN :FLIP amide:sc= -2.72 F(o=-7.8!,f=-2.7) USER MOD Single : A 806 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 807 LYS NZ :NH3+ -136:sc= -0.378 (180deg=-1.29) USER MOD Single : A 810 CYS SG : rot 126:sc= -0.156 USER MOD Single : A 812 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 813 CYS SG : rot 180:sc= 0.0269 USER MOD Single : A 818 CYS SG : rot -170:sc= -0.0162 USER MOD Single : A 819 TYR OH : rot 180:sc= 0 USER MOD Single : A 820 THR OG1 : rot 180:sc= -0.363 USER MOD Single : A 829 CYS SG : rot 31:sc= 0.32 USER MOD Single : A 830 HIS : no HD1:sc= -6.35! C(o=-6.4!,f=-14!) USER MOD Single : A 831 TYR OH : rot -3:sc= -1.28! USER MOD Single : A 832 THR OG1 : rot -93:sc= 0.0318 USER MOD Single : A 839 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 841 CYS SG : rot 140:sc= -1.36 USER MOD Single : A 844 SER OG : rot -10:sc= 0.944 USER MOD Single : A 847 HIS : no HD1:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 849 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 851 LYS NZ :NH3+ -146:sc= -0.795 (180deg=-2.21!) USER MOD Single : A 852 GLN : amide:sc= -1.85 K(o=-1.9,f=-3!) USER MOD Single : A 854 SER OG : rot 180:sc= 0 USER MOD Single : A 855 SER OG : rot -81:sc= 0.109 USER MOD Single : A 858 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 861 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.051) USER MOD Single : A 864 CYS SG : rot 84:sc= -0.222! USER MOD Single : A 867 GLN : amide:sc= -0.296 K(o=-0.3,f=-3.7!) USER MOD Single : A 868 ASN : amide:sc= -0.546 X(o=-0.55,f=-0.53) USER MOD Single : A 869 CYS SG : rot 71:sc= -0.281 USER MOD Single : A 870 SER OG : rot 180:sc=-0.00855 USER MOD Single : A 871 HIS :FLIP no HD1:sc= -2.74 F(o=-5.3!,f=-2.7) USER MOD Single : A 876 HIS : no HD1:sc= -0.34 K(o=-0.34,f=-2.5) USER MOD Single : A 878 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 879 TYR OH : rot 180:sc= 0 USER MOD Single : A 880 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 881 THR OG1 : rot 180:sc= 0 USER MOD Single : A 888 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 891 SER OG : rot 130:sc= -0.109 USER MOD Single : A 899 THR OG1 : rot 178:sc= -2.95! USER MOD Single : A 903 THR OG1 : rot -4:sc= 0.493 USER MOD Single : A 906 SER OG : rot 180:sc=0.000503 USER MOD Single : A 907 LYS NZ :NH3+ -115:sc= -0.325 (180deg=-0.856) USER MOD Single : A 909 LYS NZ :NH3+ -158:sc= -0.191 (180deg=-1.09) USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 923 MET CE :methyl 165:sc= -3.59! (180deg=-4!) USER MOD Single : A 924 SER OG : rot 34:sc= 0.5 USER MOD Single : A 925 LYS NZ :NH3+ 132:sc= -0.218 (180deg=-1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 792 -22.358 -4.678 5.389 1.00 44.53 N ATOM 2 CA ASP A 792 -22.265 -5.804 4.475 1.00 12.32 C ATOM 3 C ASP A 792 -21.350 -5.433 3.307 1.00 64.23 C ATOM 4 O ASP A 792 -21.192 -4.256 2.986 1.00 75.34 O ATOM 5 CB ASP A 792 -23.638 -6.164 3.904 1.00 12.32 C ATOM 6 CG ASP A 792 -24.656 -6.660 4.933 1.00 54.13 C ATOM 7 OD1 ASP A 792 -25.528 -5.903 5.385 1.00 0.32 O ATOM 8 OD2 ASP A 792 -24.528 -7.897 5.274 1.00 71.32 O ATOM 0 HA ASP A 792 -21.869 -6.656 5.028 1.00 12.32 H new ATOM 0 HB2 ASP A 792 -24.048 -5.287 3.403 1.00 12.32 H new ATOM 0 HB3 ASP A 792 -23.508 -6.934 3.143 1.00 12.32 H new ATOM 14 N SER A 793 -20.769 -6.460 2.703 1.00 53.22 N ATOM 15 CA SER A 793 -19.873 -6.257 1.577 1.00 55.11 C ATOM 16 C SER A 793 -20.516 -6.790 0.294 1.00 2.35 C ATOM 17 O SER A 793 -21.291 -7.744 0.334 1.00 24.23 O ATOM 18 CB SER A 793 -18.524 -6.937 1.817 1.00 33.10 C ATOM 19 OG SER A 793 -17.882 -6.450 2.992 1.00 13.32 O ATOM 0 H SER A 793 -20.901 -7.435 2.972 1.00 53.22 H new ATOM 0 HA SER A 793 -19.695 -5.187 1.470 1.00 55.11 H new ATOM 0 HB2 SER A 793 -18.671 -8.014 1.904 1.00 33.10 H new ATOM 0 HB3 SER A 793 -17.877 -6.772 0.956 1.00 33.10 H new ATOM 0 HG SER A 793 -17.025 -6.910 3.111 1.00 13.32 H new ATOM 25 N GLN A 794 -20.170 -6.150 -0.813 1.00 2.33 N ATOM 26 CA GLN A 794 -20.703 -6.547 -2.105 1.00 21.23 C ATOM 27 C GLN A 794 -19.611 -7.206 -2.949 1.00 62.45 C ATOM 28 O GLN A 794 -19.780 -7.392 -4.154 1.00 22.24 O ATOM 29 CB GLN A 794 -21.315 -5.351 -2.837 1.00 33.44 C ATOM 30 CG GLN A 794 -22.602 -4.888 -2.150 1.00 25.14 C ATOM 31 CD GLN A 794 -23.728 -5.903 -2.354 1.00 54.40 C ATOM 32 OE1 GLN A 794 -24.016 -6.336 -3.458 1.00 1.22 O ATOM 33 NE2 GLN A 794 -24.348 -6.256 -1.232 1.00 33.23 N ATOM 0 H GLN A 794 -19.527 -5.359 -0.842 1.00 2.33 H new ATOM 0 HA GLN A 794 -21.497 -7.275 -1.940 1.00 21.23 H new ATOM 0 HB2 GLN A 794 -20.598 -4.531 -2.864 1.00 33.44 H new ATOM 0 HB3 GLN A 794 -21.528 -5.623 -3.871 1.00 33.44 H new ATOM 0 HG2 GLN A 794 -22.420 -4.750 -1.084 1.00 25.14 H new ATOM 0 HG3 GLN A 794 -22.904 -3.920 -2.549 1.00 25.14 H new ATOM 0 HE21 GLN A 794 -24.057 -5.855 -0.340 1.00 33.23 H new ATOM 0 HE22 GLN A 794 -25.115 -6.928 -1.263 1.00 33.23 H new ATOM 42 N GLU A 795 -18.515 -7.542 -2.285 1.00 22.01 N ATOM 43 CA GLU A 795 -17.395 -8.177 -2.960 1.00 12.43 C ATOM 44 C GLU A 795 -17.854 -9.458 -3.659 1.00 21.04 C ATOM 45 O GLU A 795 -18.961 -9.938 -3.419 1.00 42.21 O ATOM 46 CB GLU A 795 -16.256 -8.464 -1.980 1.00 30.12 C ATOM 47 CG GLU A 795 -16.554 -9.710 -1.143 1.00 64.34 C ATOM 48 CD GLU A 795 -15.606 -9.806 0.054 1.00 63.32 C ATOM 49 OE1 GLU A 795 -14.546 -10.443 -0.044 1.00 11.21 O ATOM 50 OE2 GLU A 795 -16.003 -9.189 1.115 1.00 40.04 O ATOM 0 H GLU A 795 -18.378 -7.387 -1.286 1.00 22.01 H new ATOM 0 HA GLU A 795 -17.015 -7.490 -3.716 1.00 12.43 H new ATOM 0 HB2 GLU A 795 -15.325 -8.605 -2.530 1.00 30.12 H new ATOM 0 HB3 GLU A 795 -16.112 -7.606 -1.323 1.00 30.12 H new ATOM 0 HG2 GLU A 795 -17.586 -9.679 -0.793 1.00 64.34 H new ATOM 0 HG3 GLU A 795 -16.454 -10.601 -1.763 1.00 64.34 H new ATOM 58 N LYS A 796 -16.980 -9.976 -4.509 1.00 4.22 N ATOM 59 CA LYS A 796 -17.281 -11.192 -5.244 1.00 60.32 C ATOM 60 C LYS A 796 -16.069 -12.125 -5.198 1.00 3.42 C ATOM 61 O LYS A 796 -14.939 -11.672 -5.018 1.00 53.23 O ATOM 62 CB LYS A 796 -17.747 -10.859 -6.663 1.00 22.20 C ATOM 63 CG LYS A 796 -19.215 -10.430 -6.671 1.00 75.44 C ATOM 64 CD LYS A 796 -20.141 -11.641 -6.535 1.00 61.11 C ATOM 65 CE LYS A 796 -21.476 -11.242 -5.903 1.00 21.21 C ATOM 66 NZ LYS A 796 -22.419 -10.768 -6.940 1.00 73.00 N ATOM 0 H LYS A 796 -16.063 -9.575 -4.705 1.00 4.22 H new ATOM 0 HA LYS A 796 -18.110 -11.723 -4.777 1.00 60.32 H new ATOM 0 HB2 LYS A 796 -17.129 -10.061 -7.075 1.00 22.20 H new ATOM 0 HB3 LYS A 796 -17.615 -11.729 -7.307 1.00 22.20 H new ATOM 0 HG2 LYS A 796 -19.399 -9.734 -5.853 1.00 75.44 H new ATOM 0 HG3 LYS A 796 -19.438 -9.900 -7.597 1.00 75.44 H new ATOM 0 HD2 LYS A 796 -20.316 -12.081 -7.517 1.00 61.11 H new ATOM 0 HD3 LYS A 796 -19.659 -12.405 -5.925 1.00 61.11 H new ATOM 0 HE2 LYS A 796 -21.905 -12.094 -5.376 1.00 21.21 H new ATOM 0 HE3 LYS A 796 -21.315 -10.458 -5.164 1.00 21.21 H new ATOM 0 HZ1 LYS A 796 -23.320 -10.501 -6.494 1.00 73.00 H new ATOM 0 HZ2 LYS A 796 -22.015 -9.942 -7.425 1.00 73.00 H new ATOM 0 HZ3 LYS A 796 -22.586 -11.527 -7.631 1.00 73.00 H new ATOM 79 N PRO A 797 -16.352 -13.444 -5.367 1.00 63.01 N ATOM 80 CA PRO A 797 -15.298 -14.444 -5.346 1.00 62.13 C ATOM 81 C PRO A 797 -14.489 -14.415 -6.645 1.00 21.33 C ATOM 82 O PRO A 797 -14.963 -13.917 -7.665 1.00 21.43 O ATOM 83 CB PRO A 797 -16.014 -15.766 -5.122 1.00 11.22 C ATOM 84 CG PRO A 797 -17.468 -15.519 -5.489 1.00 35.33 C ATOM 85 CD PRO A 797 -17.677 -14.017 -5.582 1.00 54.30 C ATOM 0 HA PRO A 797 -14.564 -14.265 -4.560 1.00 62.13 H new ATOM 0 HB2 PRO A 797 -15.583 -16.553 -5.741 1.00 11.22 H new ATOM 0 HB3 PRO A 797 -15.922 -16.089 -4.085 1.00 11.22 H new ATOM 0 HG2 PRO A 797 -17.708 -15.997 -6.439 1.00 35.33 H new ATOM 0 HG3 PRO A 797 -18.130 -15.951 -4.738 1.00 35.33 H new ATOM 0 HD2 PRO A 797 -18.078 -13.733 -6.555 1.00 54.30 H new ATOM 0 HD3 PRO A 797 -18.386 -13.669 -4.831 1.00 54.30 H new ATOM 93 N LYS A 798 -13.282 -14.956 -6.565 1.00 1.15 N ATOM 94 CA LYS A 798 -12.403 -14.999 -7.721 1.00 3.44 C ATOM 95 C LYS A 798 -12.160 -16.456 -8.118 1.00 34.10 C ATOM 96 O LYS A 798 -12.281 -17.357 -7.290 1.00 35.41 O ATOM 97 CB LYS A 798 -11.118 -14.214 -7.446 1.00 30.30 C ATOM 98 CG LYS A 798 -10.213 -14.969 -6.471 1.00 24.33 C ATOM 99 CD LYS A 798 -10.493 -14.551 -5.026 1.00 52.10 C ATOM 100 CE LYS A 798 -10.236 -15.709 -4.060 1.00 72.20 C ATOM 101 NZ LYS A 798 -11.397 -16.627 -4.031 1.00 61.10 N ATOM 0 H LYS A 798 -12.892 -15.368 -5.717 1.00 1.15 H new ATOM 0 HA LYS A 798 -12.872 -14.510 -8.575 1.00 3.44 H new ATOM 0 HB2 LYS A 798 -10.586 -14.041 -8.382 1.00 30.30 H new ATOM 0 HB3 LYS A 798 -11.366 -13.236 -7.034 1.00 30.30 H new ATOM 0 HG2 LYS A 798 -10.371 -16.042 -6.580 1.00 24.33 H new ATOM 0 HG3 LYS A 798 -9.168 -14.774 -6.714 1.00 24.33 H new ATOM 0 HD2 LYS A 798 -9.861 -13.704 -4.760 1.00 52.10 H new ATOM 0 HD3 LYS A 798 -11.527 -14.219 -4.934 1.00 52.10 H new ATOM 0 HE2 LYS A 798 -9.342 -16.253 -4.365 1.00 72.20 H new ATOM 0 HE3 LYS A 798 -10.047 -15.321 -3.059 1.00 72.20 H new ATOM 0 HZ1 LYS A 798 -11.206 -17.407 -3.371 1.00 61.10 H new ATOM 0 HZ2 LYS A 798 -12.242 -16.108 -3.719 1.00 61.10 H new ATOM 0 HZ3 LYS A 798 -11.559 -17.012 -4.984 1.00 61.10 H new ATOM 114 N PRO A 799 -11.813 -16.647 -9.419 1.00 75.01 N ATOM 115 CA PRO A 799 -11.553 -17.980 -9.936 1.00 50.54 C ATOM 116 C PRO A 799 -10.193 -18.496 -9.462 1.00 11.10 C ATOM 117 O PRO A 799 -9.219 -17.746 -9.424 1.00 51.31 O ATOM 118 CB PRO A 799 -11.641 -17.839 -11.447 1.00 60.13 C ATOM 119 CG PRO A 799 -11.486 -16.355 -11.738 1.00 21.13 C ATOM 120 CD PRO A 799 -11.661 -15.603 -10.428 1.00 65.24 C ATOM 0 HA PRO A 799 -12.269 -18.719 -9.575 1.00 50.54 H new ATOM 0 HB2 PRO A 799 -10.859 -18.417 -11.939 1.00 60.13 H new ATOM 0 HB3 PRO A 799 -12.595 -18.212 -11.819 1.00 60.13 H new ATOM 0 HG2 PRO A 799 -10.505 -16.151 -12.168 1.00 21.13 H new ATOM 0 HG3 PRO A 799 -12.228 -16.029 -12.467 1.00 21.13 H new ATOM 0 HD2 PRO A 799 -10.799 -14.970 -10.216 1.00 65.24 H new ATOM 0 HD3 PRO A 799 -12.535 -14.952 -10.459 1.00 65.24 H new ATOM 128 N VAL A 800 -10.170 -19.774 -9.112 1.00 54.41 N ATOM 129 CA VAL A 800 -8.946 -20.399 -8.642 1.00 31.11 C ATOM 130 C VAL A 800 -8.608 -21.589 -9.542 1.00 71.02 C ATOM 131 O VAL A 800 -9.489 -22.367 -9.905 1.00 63.23 O ATOM 132 CB VAL A 800 -9.088 -20.786 -7.168 1.00 55.33 C ATOM 133 CG1 VAL A 800 -10.540 -21.132 -6.830 1.00 62.43 C ATOM 134 CG2 VAL A 800 -8.151 -21.941 -6.812 1.00 32.23 C ATOM 0 H VAL A 800 -10.980 -20.393 -9.145 1.00 54.41 H new ATOM 0 HA VAL A 800 -8.113 -19.699 -8.702 1.00 31.11 H new ATOM 0 HB VAL A 800 -8.800 -19.924 -6.566 1.00 55.33 H new ATOM 0 HG11 VAL A 800 -10.614 -21.403 -5.777 1.00 62.43 H new ATOM 0 HG12 VAL A 800 -11.175 -20.269 -7.027 1.00 62.43 H new ATOM 0 HG13 VAL A 800 -10.867 -21.971 -7.445 1.00 62.43 H new ATOM 0 HG21 VAL A 800 -8.272 -22.196 -5.759 1.00 32.23 H new ATOM 0 HG22 VAL A 800 -8.393 -22.809 -7.426 1.00 32.23 H new ATOM 0 HG23 VAL A 800 -7.119 -21.643 -6.997 1.00 32.23 H new ATOM 144 N PRO A 801 -7.296 -21.696 -9.885 1.00 54.24 N ATOM 145 CA PRO A 801 -6.831 -22.778 -10.736 1.00 51.33 C ATOM 146 C PRO A 801 -6.772 -24.097 -9.963 1.00 40.32 C ATOM 147 O PRO A 801 -7.744 -24.850 -9.938 1.00 51.14 O ATOM 148 CB PRO A 801 -5.471 -22.324 -11.242 1.00 14.24 C ATOM 149 CG PRO A 801 -5.021 -21.223 -10.295 1.00 21.32 C ATOM 150 CD PRO A 801 -6.226 -20.793 -9.474 1.00 5.31 C ATOM 0 HA PRO A 801 -7.505 -22.977 -11.569 1.00 51.33 H new ATOM 0 HB2 PRO A 801 -4.760 -23.150 -11.246 1.00 14.24 H new ATOM 0 HB3 PRO A 801 -5.538 -21.956 -12.266 1.00 14.24 H new ATOM 0 HG2 PRO A 801 -4.224 -21.582 -9.644 1.00 21.32 H new ATOM 0 HG3 PRO A 801 -4.619 -20.378 -10.855 1.00 21.32 H new ATOM 0 HD2 PRO A 801 -6.027 -20.875 -8.406 1.00 5.31 H new ATOM 0 HD3 PRO A 801 -6.488 -19.753 -9.670 1.00 5.31 H new ATOM 158 N ASP A 802 -5.622 -24.336 -9.351 1.00 4.20 N ATOM 159 CA ASP A 802 -5.423 -25.551 -8.579 1.00 40.30 C ATOM 160 C ASP A 802 -4.096 -25.458 -7.823 1.00 62.45 C ATOM 161 O ASP A 802 -3.315 -24.534 -8.043 1.00 51.44 O ATOM 162 CB ASP A 802 -5.364 -26.779 -9.490 1.00 11.52 C ATOM 163 CG ASP A 802 -6.124 -28.003 -8.975 1.00 3.31 C ATOM 164 OD1 ASP A 802 -7.350 -28.104 -9.127 1.00 51.01 O ATOM 165 OD2 ASP A 802 -5.394 -28.890 -8.387 1.00 40.34 O ATOM 0 H ASP A 802 -4.818 -23.709 -9.374 1.00 4.20 H new ATOM 0 HA ASP A 802 -6.261 -25.654 -7.890 1.00 40.30 H new ATOM 0 HB2 ASP A 802 -5.763 -26.507 -10.467 1.00 11.52 H new ATOM 0 HB3 ASP A 802 -4.320 -27.054 -9.637 1.00 11.52 H new ATOM 171 N LYS A 803 -3.881 -26.430 -6.948 1.00 41.34 N ATOM 172 CA LYS A 803 -2.662 -26.470 -6.159 1.00 44.21 C ATOM 173 C LYS A 803 -2.671 -27.720 -5.278 1.00 23.34 C ATOM 174 O LYS A 803 -3.723 -28.314 -5.047 1.00 60.12 O ATOM 175 CB LYS A 803 -2.487 -25.167 -5.376 1.00 51.23 C ATOM 176 CG LYS A 803 -1.397 -24.293 -6.001 1.00 73.43 C ATOM 177 CD LYS A 803 -1.676 -22.809 -5.756 1.00 30.25 C ATOM 178 CE LYS A 803 -2.735 -22.282 -6.726 1.00 64.12 C ATOM 179 NZ LYS A 803 -2.970 -20.838 -6.502 1.00 33.21 N ATOM 0 H LYS A 803 -4.531 -27.196 -6.768 1.00 41.34 H new ATOM 0 HA LYS A 803 -1.790 -26.544 -6.809 1.00 44.21 H new ATOM 0 HB2 LYS A 803 -3.430 -24.621 -5.357 1.00 51.23 H new ATOM 0 HB3 LYS A 803 -2.229 -25.392 -4.341 1.00 51.23 H new ATOM 0 HG2 LYS A 803 -0.427 -24.559 -5.580 1.00 73.43 H new ATOM 0 HG3 LYS A 803 -1.343 -24.484 -7.073 1.00 73.43 H new ATOM 0 HD2 LYS A 803 -2.013 -22.663 -4.730 1.00 30.25 H new ATOM 0 HD3 LYS A 803 -0.755 -22.238 -5.873 1.00 30.25 H new ATOM 0 HE2 LYS A 803 -2.411 -22.449 -7.753 1.00 64.12 H new ATOM 0 HE3 LYS A 803 -3.666 -22.833 -6.592 1.00 64.12 H new ATOM 0 HZ1 LYS A 803 -3.899 -20.573 -6.888 1.00 33.21 H new ATOM 0 HZ2 LYS A 803 -2.949 -20.637 -5.482 1.00 33.21 H new ATOM 0 HZ3 LYS A 803 -2.228 -20.287 -6.979 1.00 33.21 H new ATOM 192 N GLU A 804 -1.486 -28.083 -4.808 1.00 60.24 N ATOM 193 CA GLU A 804 -1.344 -29.252 -3.957 1.00 73.33 C ATOM 194 C GLU A 804 -0.632 -28.878 -2.656 1.00 33.22 C ATOM 195 O GLU A 804 -0.359 -29.741 -1.823 1.00 75.41 O ATOM 196 CB GLU A 804 -0.601 -30.374 -4.686 1.00 34.02 C ATOM 197 CG GLU A 804 0.382 -29.805 -5.710 1.00 64.12 C ATOM 198 CD GLU A 804 -0.306 -29.562 -7.055 1.00 1.42 C ATOM 199 OE1 GLU A 804 -0.133 -28.490 -7.654 1.00 73.15 O ATOM 200 OE2 GLU A 804 -1.042 -30.534 -7.475 1.00 23.43 O ATOM 0 H GLU A 804 -0.615 -27.588 -5.001 1.00 60.24 H new ATOM 0 HA GLU A 804 -2.340 -29.621 -3.710 1.00 73.33 H new ATOM 0 HB2 GLU A 804 -0.064 -30.989 -3.964 1.00 34.02 H new ATOM 0 HB3 GLU A 804 -1.318 -31.024 -5.187 1.00 34.02 H new ATOM 0 HG2 GLU A 804 0.800 -28.870 -5.337 1.00 64.12 H new ATOM 0 HG3 GLU A 804 1.215 -30.496 -5.843 1.00 64.12 H new ATOM 208 N ASN A 805 -0.352 -27.590 -2.521 1.00 64.42 N ATOM 209 CA ASN A 805 0.323 -27.091 -1.335 1.00 64.51 C ATOM 210 C ASN A 805 -0.544 -26.019 -0.673 1.00 41.23 C ATOM 211 O ASN A 805 -1.251 -25.279 -1.356 1.00 0.03 O ATOM 212 CB ASN A 805 1.669 -26.457 -1.693 1.00 31.20 C ATOM 213 CG ASN A 805 2.130 -25.495 -0.597 1.00 1.42 C ATOM 214 OD1 ASN A 805 2.169 -26.036 0.617 1.00 45.24 O flip ATOM 215 ND2 ASN A 805 2.430 -24.337 -0.837 1.00 24.23 N flip ATOM 0 H ASN A 805 -0.580 -26.877 -3.214 1.00 64.42 H new ATOM 0 HA ASN A 805 0.489 -27.932 -0.662 1.00 64.51 H new ATOM 0 HB2 ASN A 805 2.416 -27.238 -1.835 1.00 31.20 H new ATOM 0 HB3 ASN A 805 1.583 -25.922 -2.639 1.00 31.20 H new ATOM 0 HD21 ASN A 805 2.378 -23.984 -1.793 1.00 24.23 H new ATOM 0 HD22 ASN A 805 2.733 -23.722 -0.082 1.00 24.23 H new ATOM 222 N LYS A 806 -0.461 -25.969 0.648 1.00 11.51 N ATOM 223 CA LYS A 806 -1.230 -24.999 1.410 1.00 44.32 C ATOM 224 C LYS A 806 -0.284 -24.191 2.301 1.00 64.23 C ATOM 225 O LYS A 806 0.759 -24.691 2.719 1.00 64.52 O ATOM 226 CB LYS A 806 -2.356 -25.692 2.178 1.00 31.34 C ATOM 227 CG LYS A 806 -2.837 -24.827 3.345 1.00 34.21 C ATOM 228 CD LYS A 806 -4.278 -25.174 3.727 1.00 23.12 C ATOM 229 CE LYS A 806 -4.478 -26.690 3.792 1.00 41.42 C ATOM 230 NZ LYS A 806 -5.798 -27.013 4.378 1.00 63.41 N ATOM 0 H LYS A 806 0.127 -26.584 1.211 1.00 11.51 H new ATOM 0 HA LYS A 806 -1.720 -24.292 0.741 1.00 44.32 H new ATOM 0 HB2 LYS A 806 -3.188 -25.896 1.505 1.00 31.34 H new ATOM 0 HB3 LYS A 806 -2.007 -26.654 2.553 1.00 31.34 H new ATOM 0 HG2 LYS A 806 -2.184 -24.974 4.205 1.00 34.21 H new ATOM 0 HG3 LYS A 806 -2.773 -23.774 3.072 1.00 34.21 H new ATOM 0 HD2 LYS A 806 -4.519 -24.730 4.693 1.00 23.12 H new ATOM 0 HD3 LYS A 806 -4.965 -24.744 2.998 1.00 23.12 H new ATOM 0 HE2 LYS A 806 -4.403 -27.116 2.791 1.00 41.42 H new ATOM 0 HE3 LYS A 806 -3.687 -27.142 4.391 1.00 41.42 H new ATOM 0 HZ1 LYS A 806 -5.918 -28.045 4.415 1.00 63.41 H new ATOM 0 HZ2 LYS A 806 -5.855 -26.623 5.340 1.00 63.41 H new ATOM 0 HZ3 LYS A 806 -6.549 -26.598 3.791 1.00 63.41 H new ATOM 243 N LYS A 807 -0.682 -22.955 2.565 1.00 63.40 N ATOM 244 CA LYS A 807 0.118 -22.074 3.399 1.00 54.34 C ATOM 245 C LYS A 807 -0.413 -22.116 4.833 1.00 3.02 C ATOM 246 O LYS A 807 -1.568 -22.470 5.061 1.00 33.24 O ATOM 247 CB LYS A 807 0.162 -20.666 2.801 1.00 65.12 C ATOM 248 CG LYS A 807 0.865 -19.690 3.747 1.00 32.54 C ATOM 249 CD LYS A 807 0.862 -18.272 3.174 1.00 73.01 C ATOM 250 CE LYS A 807 -0.567 -17.746 3.019 1.00 62.41 C ATOM 251 NZ LYS A 807 -0.598 -16.275 3.177 1.00 23.23 N ATOM 0 H LYS A 807 -1.547 -22.543 2.216 1.00 63.40 H new ATOM 0 HA LYS A 807 1.153 -22.415 3.431 1.00 54.34 H new ATOM 0 HB2 LYS A 807 0.683 -20.690 1.844 1.00 65.12 H new ATOM 0 HB3 LYS A 807 -0.852 -20.319 2.603 1.00 65.12 H new ATOM 0 HG2 LYS A 807 0.367 -19.695 4.716 1.00 32.54 H new ATOM 0 HG3 LYS A 807 1.892 -20.016 3.914 1.00 32.54 H new ATOM 0 HD2 LYS A 807 1.428 -17.610 3.829 1.00 73.01 H new ATOM 0 HD3 LYS A 807 1.363 -18.266 2.206 1.00 73.01 H new ATOM 0 HE2 LYS A 807 -0.958 -18.021 2.039 1.00 62.41 H new ATOM 0 HE3 LYS A 807 -1.215 -18.211 3.762 1.00 62.41 H new ATOM 0 HZ1 LYS A 807 -1.403 -16.007 3.779 1.00 23.23 H new ATOM 0 HZ2 LYS A 807 0.287 -15.955 3.619 1.00 23.23 H new ATOM 0 HZ3 LYS A 807 -0.700 -15.828 2.244 1.00 23.23 H new ATOM 264 N LEU A 808 0.457 -21.750 5.763 1.00 44.32 N ATOM 265 CA LEU A 808 0.091 -21.741 7.169 1.00 61.31 C ATOM 266 C LEU A 808 0.470 -20.392 7.782 1.00 4.12 C ATOM 267 O LEU A 808 1.498 -19.814 7.433 1.00 65.23 O ATOM 268 CB LEU A 808 0.709 -22.940 7.891 1.00 63.43 C ATOM 269 CG LEU A 808 0.037 -24.292 7.642 1.00 65.41 C ATOM 270 CD1 LEU A 808 0.575 -24.945 6.367 1.00 70.21 C ATOM 271 CD2 LEU A 808 0.181 -25.208 8.859 1.00 31.21 C ATOM 0 H LEU A 808 1.415 -21.457 5.570 1.00 44.32 H new ATOM 0 HA LEU A 808 -0.987 -21.851 7.282 1.00 61.31 H new ATOM 0 HB2 LEU A 808 1.755 -23.017 7.596 1.00 63.43 H new ATOM 0 HB3 LEU A 808 0.694 -22.741 8.963 1.00 63.43 H new ATOM 0 HG LEU A 808 -1.029 -24.121 7.492 1.00 65.41 H new ATOM 0 HD11 LEU A 808 0.081 -25.904 6.213 1.00 70.21 H new ATOM 0 HD12 LEU A 808 0.378 -24.295 5.514 1.00 70.21 H new ATOM 0 HD13 LEU A 808 1.649 -25.101 6.464 1.00 70.21 H new ATOM 0 HD21 LEU A 808 -0.305 -26.162 8.656 1.00 31.21 H new ATOM 0 HD22 LEU A 808 1.238 -25.376 9.065 1.00 31.21 H new ATOM 0 HD23 LEU A 808 -0.287 -24.739 9.725 1.00 31.21 H new ATOM 283 N LEU A 809 -0.380 -19.929 8.686 1.00 14.21 N ATOM 284 CA LEU A 809 -0.147 -18.658 9.351 1.00 34.13 C ATOM 285 C LEU A 809 -0.141 -18.874 10.866 1.00 13.00 C ATOM 286 O LEU A 809 -0.473 -19.958 11.344 1.00 54.25 O ATOM 287 CB LEU A 809 -1.163 -17.614 8.883 1.00 30.00 C ATOM 288 CG LEU A 809 -0.765 -16.795 7.653 1.00 22.33 C ATOM 289 CD1 LEU A 809 -0.846 -17.642 6.381 1.00 3.35 C ATOM 290 CD2 LEU A 809 -1.604 -15.521 7.548 1.00 53.41 C ATOM 0 H LEU A 809 -1.231 -20.411 8.974 1.00 14.21 H new ATOM 0 HA LEU A 809 0.831 -18.260 9.081 1.00 34.13 H new ATOM 0 HB2 LEU A 809 -2.103 -18.122 8.668 1.00 30.00 H new ATOM 0 HB3 LEU A 809 -1.353 -16.926 9.707 1.00 30.00 H new ATOM 0 HG LEU A 809 0.274 -16.487 7.769 1.00 22.33 H new ATOM 0 HD11 LEU A 809 -0.558 -17.036 5.522 1.00 3.35 H new ATOM 0 HD12 LEU A 809 -0.171 -18.493 6.467 1.00 3.35 H new ATOM 0 HD13 LEU A 809 -1.867 -18.000 6.247 1.00 3.35 H new ATOM 0 HD21 LEU A 809 -1.301 -14.957 6.666 1.00 53.41 H new ATOM 0 HD22 LEU A 809 -2.658 -15.785 7.465 1.00 53.41 H new ATOM 0 HD23 LEU A 809 -1.452 -14.911 8.438 1.00 53.41 H new ATOM 302 N CYS A 810 0.240 -17.825 11.580 1.00 41.24 N ATOM 303 CA CYS A 810 0.294 -17.886 13.030 1.00 11.13 C ATOM 304 C CYS A 810 -0.909 -17.123 13.588 1.00 33.12 C ATOM 305 O CYS A 810 -1.012 -15.909 13.419 1.00 4.03 O ATOM 306 CB CYS A 810 1.617 -17.339 13.571 1.00 72.42 C ATOM 307 SG CYS A 810 2.042 -18.173 15.143 1.00 4.03 S ATOM 0 H CYS A 810 0.514 -16.927 11.181 1.00 41.24 H new ATOM 0 HA CYS A 810 0.247 -18.926 13.354 1.00 11.13 H new ATOM 0 HB2 CYS A 810 2.411 -17.495 12.840 1.00 72.42 H new ATOM 0 HB3 CYS A 810 1.538 -16.264 13.730 1.00 72.42 H new ATOM 0 HG CYS A 810 3.234 -18.683 15.055 1.00 4.03 H new ATOM 313 N ARG A 811 -1.790 -17.867 14.242 1.00 41.34 N ATOM 314 CA ARG A 811 -2.982 -17.276 14.825 1.00 10.43 C ATOM 315 C ARG A 811 -2.611 -16.052 15.665 1.00 2.15 C ATOM 316 O ARG A 811 -3.447 -15.183 15.907 1.00 75.15 O ATOM 317 CB ARG A 811 -3.723 -18.284 15.705 1.00 24.44 C ATOM 318 CG ARG A 811 -4.769 -17.587 16.577 1.00 23.15 C ATOM 319 CD ARG A 811 -4.157 -17.122 17.901 1.00 54.23 C ATOM 320 NE ARG A 811 -4.544 -18.046 18.990 1.00 70.54 N ATOM 321 CZ ARG A 811 -5.722 -17.991 19.647 1.00 60.52 C ATOM 322 NH1 ARG A 811 -6.640 -17.054 19.330 1.00 11.21 N ATOM 323 NH2 ARG A 811 -5.963 -18.868 20.604 1.00 64.32 N ATOM 0 H ARG A 811 -1.702 -18.874 14.381 1.00 41.34 H new ATOM 0 HA ARG A 811 -3.637 -16.975 14.007 1.00 10.43 H new ATOM 0 HB2 ARG A 811 -4.208 -19.032 15.078 1.00 24.44 H new ATOM 0 HB3 ARG A 811 -3.010 -18.812 16.338 1.00 24.44 H new ATOM 0 HG2 ARG A 811 -5.182 -16.731 16.042 1.00 23.15 H new ATOM 0 HG3 ARG A 811 -5.596 -18.269 16.774 1.00 23.15 H new ATOM 0 HD2 ARG A 811 -3.071 -17.083 17.815 1.00 54.23 H new ATOM 0 HD3 ARG A 811 -4.495 -16.112 18.133 1.00 54.23 H new ATOM 0 HE ARG A 811 -3.879 -18.770 19.261 1.00 70.54 H new ATOM 0 HH11 ARG A 811 -6.446 -16.380 18.589 1.00 11.21 H new ATOM 0 HH12 ARG A 811 -7.528 -17.019 19.831 1.00 11.21 H new ATOM 0 HH21 ARG A 811 -5.264 -19.573 20.837 1.00 64.32 H new ATOM 0 HH22 ARG A 811 -6.848 -18.840 21.110 1.00 64.32 H new ATOM 336 N LYS A 812 -1.356 -16.023 16.088 1.00 5.22 N ATOM 337 CA LYS A 812 -0.863 -14.920 16.896 1.00 34.14 C ATOM 338 C LYS A 812 -1.289 -13.596 16.258 1.00 22.22 C ATOM 339 O LYS A 812 -2.231 -12.955 16.720 1.00 14.02 O ATOM 340 CB LYS A 812 0.647 -15.043 17.108 1.00 31.42 C ATOM 341 CG LYS A 812 0.992 -16.334 17.854 1.00 4.22 C ATOM 342 CD LYS A 812 0.168 -16.463 19.136 1.00 33.44 C ATOM 343 CE LYS A 812 0.247 -15.184 19.971 1.00 1.40 C ATOM 344 NZ LYS A 812 -0.429 -15.372 21.274 1.00 53.20 N ATOM 0 H LYS A 812 -0.665 -16.746 15.886 1.00 5.22 H new ATOM 0 HA LYS A 812 -1.304 -14.951 17.892 1.00 34.14 H new ATOM 0 HB2 LYS A 812 1.156 -15.029 16.144 1.00 31.42 H new ATOM 0 HB3 LYS A 812 1.010 -14.184 17.673 1.00 31.42 H new ATOM 0 HG2 LYS A 812 0.804 -17.192 17.209 1.00 4.22 H new ATOM 0 HG3 LYS A 812 2.054 -16.345 18.098 1.00 4.22 H new ATOM 0 HD2 LYS A 812 -0.872 -16.673 18.884 1.00 33.44 H new ATOM 0 HD3 LYS A 812 0.531 -17.307 19.722 1.00 33.44 H new ATOM 0 HE2 LYS A 812 1.290 -14.912 20.132 1.00 1.40 H new ATOM 0 HE3 LYS A 812 -0.218 -14.360 19.429 1.00 1.40 H new ATOM 0 HZ1 LYS A 812 -0.366 -14.494 21.828 1.00 53.20 H new ATOM 0 HZ2 LYS A 812 -1.429 -15.610 21.115 1.00 53.20 H new ATOM 0 HZ3 LYS A 812 0.032 -16.144 21.796 1.00 53.20 H new ATOM 357 N CYS A 813 -0.573 -13.226 15.206 1.00 34.33 N ATOM 358 CA CYS A 813 -0.865 -11.990 14.500 1.00 70.40 C ATOM 359 C CYS A 813 -1.255 -12.339 13.062 1.00 25.22 C ATOM 360 O CYS A 813 -1.141 -11.506 12.165 1.00 42.42 O ATOM 361 CB CYS A 813 0.315 -11.017 14.552 1.00 73.43 C ATOM 362 SG CYS A 813 1.848 -11.864 14.022 1.00 71.30 S ATOM 0 H CYS A 813 0.208 -13.760 14.826 1.00 34.33 H new ATOM 0 HA CYS A 813 -1.695 -11.477 14.986 1.00 70.40 H new ATOM 0 HB2 CYS A 813 0.120 -10.161 13.905 1.00 73.43 H new ATOM 0 HB3 CYS A 813 0.434 -10.631 15.564 1.00 73.43 H new ATOM 0 HG CYS A 813 2.843 -11.029 14.068 1.00 71.30 H new ATOM 368 N LYS A 814 -1.706 -13.573 12.888 1.00 50.52 N ATOM 369 CA LYS A 814 -2.113 -14.042 11.574 1.00 0.13 C ATOM 370 C LYS A 814 -1.040 -13.670 10.549 1.00 3.44 C ATOM 371 O LYS A 814 -1.257 -12.802 9.705 1.00 72.44 O ATOM 372 CB LYS A 814 -3.506 -13.515 11.225 1.00 52.31 C ATOM 373 CG LYS A 814 -4.341 -13.293 12.488 1.00 51.13 C ATOM 374 CD LYS A 814 -4.480 -14.589 13.288 1.00 24.41 C ATOM 375 CE LYS A 814 -5.555 -15.495 12.684 1.00 41.42 C ATOM 376 NZ LYS A 814 -6.903 -14.938 12.937 1.00 22.41 N ATOM 0 H LYS A 814 -1.798 -14.262 13.635 1.00 50.52 H new ATOM 0 HA LYS A 814 -2.198 -15.129 11.567 1.00 0.13 H new ATOM 0 HB2 LYS A 814 -3.417 -12.578 10.674 1.00 52.31 H new ATOM 0 HB3 LYS A 814 -4.013 -14.223 10.569 1.00 52.31 H new ATOM 0 HG2 LYS A 814 -3.874 -12.527 13.107 1.00 51.13 H new ATOM 0 HG3 LYS A 814 -5.329 -12.922 12.215 1.00 51.13 H new ATOM 0 HD2 LYS A 814 -3.525 -15.114 13.305 1.00 24.41 H new ATOM 0 HD3 LYS A 814 -4.735 -14.356 14.322 1.00 24.41 H new ATOM 0 HE2 LYS A 814 -5.392 -15.597 11.611 1.00 41.42 H new ATOM 0 HE3 LYS A 814 -5.481 -16.494 13.114 1.00 41.42 H new ATOM 0 HZ1 LYS A 814 -7.422 -15.565 13.585 1.00 22.41 H new ATOM 0 HZ2 LYS A 814 -6.814 -13.995 13.366 1.00 22.41 H new ATOM 0 HZ3 LYS A 814 -7.422 -14.862 12.039 1.00 22.41 H new ATOM 389 N ALA A 815 0.096 -14.344 10.658 1.00 54.14 N ATOM 390 CA ALA A 815 1.203 -14.095 9.751 1.00 43.13 C ATOM 391 C ALA A 815 1.814 -15.430 9.320 1.00 41.10 C ATOM 392 O ALA A 815 1.819 -16.391 10.088 1.00 52.03 O ATOM 393 CB ALA A 815 2.223 -13.179 10.430 1.00 25.10 C ATOM 0 H ALA A 815 0.273 -15.062 11.361 1.00 54.14 H new ATOM 0 HA ALA A 815 0.856 -13.586 8.852 1.00 43.13 H new ATOM 0 HB1 ALA A 815 3.054 -12.992 9.750 1.00 25.10 H new ATOM 0 HB2 ALA A 815 1.747 -12.234 10.690 1.00 25.10 H new ATOM 0 HB3 ALA A 815 2.596 -13.658 11.335 1.00 25.10 H new ATOM 399 N LEU A 816 2.315 -15.447 8.093 1.00 12.24 N ATOM 400 CA LEU A 816 2.927 -16.648 7.551 1.00 33.13 C ATOM 401 C LEU A 816 3.762 -17.325 8.640 1.00 62.24 C ATOM 402 O LEU A 816 4.482 -16.657 9.380 1.00 30.23 O ATOM 403 CB LEU A 816 3.718 -16.321 6.283 1.00 14.11 C ATOM 404 CG LEU A 816 4.585 -17.450 5.724 1.00 61.34 C ATOM 405 CD1 LEU A 816 5.836 -17.657 6.581 1.00 55.05 C ATOM 406 CD2 LEU A 816 3.775 -18.739 5.571 1.00 64.42 C ATOM 0 H LEU A 816 2.309 -14.648 7.459 1.00 12.24 H new ATOM 0 HA LEU A 816 2.162 -17.361 7.246 1.00 33.13 H new ATOM 0 HB2 LEU A 816 3.015 -16.013 5.509 1.00 14.11 H new ATOM 0 HB3 LEU A 816 4.360 -15.465 6.490 1.00 14.11 H new ATOM 0 HG LEU A 816 4.921 -17.161 4.728 1.00 61.34 H new ATOM 0 HD11 LEU A 816 6.435 -18.465 6.161 1.00 55.05 H new ATOM 0 HD12 LEU A 816 6.424 -16.739 6.594 1.00 55.05 H new ATOM 0 HD13 LEU A 816 5.542 -17.914 7.599 1.00 55.05 H new ATOM 0 HD21 LEU A 816 4.415 -19.526 5.172 1.00 64.42 H new ATOM 0 HD22 LEU A 816 3.389 -19.044 6.544 1.00 64.42 H new ATOM 0 HD23 LEU A 816 2.943 -18.567 4.888 1.00 64.42 H new ATOM 418 N ALA A 817 3.639 -18.643 8.702 1.00 53.13 N ATOM 419 CA ALA A 817 4.374 -19.418 9.687 1.00 14.20 C ATOM 420 C ALA A 817 5.158 -20.524 8.978 1.00 35.01 C ATOM 421 O ALA A 817 6.339 -20.727 9.254 1.00 50.13 O ATOM 422 CB ALA A 817 3.401 -19.970 10.731 1.00 0.22 C ATOM 0 H ALA A 817 3.041 -19.194 8.086 1.00 53.13 H new ATOM 0 HA ALA A 817 5.093 -18.789 10.212 1.00 14.20 H new ATOM 0 HB1 ALA A 817 3.952 -20.552 11.470 1.00 0.22 H new ATOM 0 HB2 ALA A 817 2.891 -19.144 11.226 1.00 0.22 H new ATOM 0 HB3 ALA A 817 2.666 -20.609 10.241 1.00 0.22 H new ATOM 428 N CYS A 818 4.468 -21.210 8.079 1.00 62.44 N ATOM 429 CA CYS A 818 5.085 -22.291 7.328 1.00 42.10 C ATOM 430 C CYS A 818 4.102 -22.749 6.249 1.00 51.31 C ATOM 431 O CYS A 818 3.056 -22.131 6.055 1.00 32.41 O ATOM 432 CB CYS A 818 5.509 -23.444 8.240 1.00 14.35 C ATOM 433 SG CYS A 818 4.172 -23.822 9.432 1.00 2.00 S ATOM 0 H CYS A 818 3.488 -21.039 7.853 1.00 62.44 H new ATOM 0 HA CYS A 818 6.000 -21.933 6.856 1.00 42.10 H new ATOM 0 HB2 CYS A 818 5.735 -24.327 7.642 1.00 14.35 H new ATOM 0 HB3 CYS A 818 6.421 -23.179 8.775 1.00 14.35 H new ATOM 0 HG CYS A 818 4.614 -24.651 10.331 1.00 2.00 H new ATOM 439 N TYR A 819 4.473 -23.827 5.575 1.00 73.32 N ATOM 440 CA TYR A 819 3.636 -24.375 4.520 1.00 4.02 C ATOM 441 C TYR A 819 3.454 -25.884 4.693 1.00 64.31 C ATOM 442 O TYR A 819 4.351 -26.569 5.184 1.00 73.25 O ATOM 443 CB TYR A 819 4.382 -24.110 3.211 1.00 55.34 C ATOM 444 CG TYR A 819 4.419 -22.635 2.803 1.00 32.45 C ATOM 445 CD1 TYR A 819 3.344 -22.074 2.143 1.00 23.42 C ATOM 446 CD2 TYR A 819 5.527 -21.866 3.096 1.00 34.44 C ATOM 447 CE1 TYR A 819 3.379 -20.687 1.760 1.00 4.20 C ATOM 448 CE2 TYR A 819 5.562 -20.479 2.713 1.00 14.23 C ATOM 449 CZ TYR A 819 4.486 -19.957 2.064 1.00 23.40 C ATOM 450 OH TYR A 819 4.519 -18.647 1.702 1.00 4.12 O ATOM 0 H TYR A 819 5.342 -24.336 5.738 1.00 73.32 H new ATOM 0 HA TYR A 819 2.647 -23.918 4.538 1.00 4.02 H new ATOM 0 HB2 TYR A 819 5.404 -24.476 3.307 1.00 55.34 H new ATOM 0 HB3 TYR A 819 3.911 -24.685 2.414 1.00 55.34 H new ATOM 0 HD1 TYR A 819 2.477 -22.676 1.914 1.00 23.42 H new ATOM 0 HD2 TYR A 819 6.368 -22.305 3.613 1.00 34.44 H new ATOM 0 HE1 TYR A 819 2.545 -20.236 1.243 1.00 4.20 H new ATOM 0 HE2 TYR A 819 6.423 -19.866 2.936 1.00 14.23 H new ATOM 0 HH TYR A 819 5.370 -18.251 1.984 1.00 4.12 H new ATOM 460 N THR A 820 2.288 -26.359 4.280 1.00 2.50 N ATOM 461 CA THR A 820 1.977 -27.774 4.383 1.00 61.21 C ATOM 462 C THR A 820 2.906 -28.591 3.483 1.00 63.01 C ATOM 463 O THR A 820 3.097 -29.786 3.703 1.00 21.11 O ATOM 464 CB THR A 820 0.495 -27.958 4.052 1.00 13.30 C ATOM 465 OG1 THR A 820 0.065 -28.984 4.942 1.00 71.30 O ATOM 466 CG2 THR A 820 0.275 -28.555 2.661 1.00 52.24 C ATOM 0 H THR A 820 1.547 -25.788 3.873 1.00 2.50 H new ATOM 0 HA THR A 820 2.147 -28.143 5.394 1.00 61.21 H new ATOM 0 HB THR A 820 -0.013 -26.996 4.118 1.00 13.30 H new ATOM 0 HG1 THR A 820 -0.887 -29.166 4.796 1.00 71.30 H new ATOM 0 HG21 THR A 820 -0.794 -28.665 2.477 1.00 52.24 H new ATOM 0 HG22 THR A 820 0.707 -27.895 1.909 1.00 52.24 H new ATOM 0 HG23 THR A 820 0.755 -29.532 2.604 1.00 52.24 H new ATOM 474 N ALA A 821 3.460 -27.914 2.488 1.00 52.42 N ATOM 475 CA ALA A 821 4.364 -28.562 1.553 1.00 4.44 C ATOM 476 C ALA A 821 5.688 -28.865 2.259 1.00 72.22 C ATOM 477 O ALA A 821 6.563 -29.517 1.691 1.00 52.12 O ATOM 478 CB ALA A 821 4.550 -27.672 0.323 1.00 64.15 C ATOM 0 H ALA A 821 3.300 -26.923 2.309 1.00 52.42 H new ATOM 0 HA ALA A 821 3.948 -29.509 1.210 1.00 4.44 H new ATOM 0 HB1 ALA A 821 5.228 -28.158 -0.379 1.00 64.15 H new ATOM 0 HB2 ALA A 821 3.585 -27.510 -0.158 1.00 64.15 H new ATOM 0 HB3 ALA A 821 4.969 -26.713 0.628 1.00 64.15 H new ATOM 484 N ASP A 822 5.792 -28.378 3.486 1.00 24.25 N ATOM 485 CA ASP A 822 6.994 -28.589 4.275 1.00 23.24 C ATOM 486 C ASP A 822 6.604 -29.099 5.664 1.00 5.13 C ATOM 487 O ASP A 822 7.447 -29.189 6.556 1.00 44.24 O ATOM 488 CB ASP A 822 7.773 -27.284 4.452 1.00 23.40 C ATOM 489 CG ASP A 822 8.808 -26.997 3.363 1.00 42.55 C ATOM 490 OD1 ASP A 822 9.982 -26.722 3.653 1.00 11.42 O ATOM 491 OD2 ASP A 822 8.361 -27.064 2.154 1.00 21.24 O ATOM 0 H ASP A 822 5.064 -27.838 3.954 1.00 24.25 H new ATOM 0 HA ASP A 822 7.618 -29.313 3.752 1.00 23.24 H new ATOM 0 HB2 ASP A 822 7.064 -26.457 4.486 1.00 23.40 H new ATOM 0 HB3 ASP A 822 8.280 -27.309 5.417 1.00 23.40 H new ATOM 497 N VAL A 823 5.327 -29.419 5.805 1.00 74.21 N ATOM 498 CA VAL A 823 4.815 -29.917 7.070 1.00 32.52 C ATOM 499 C VAL A 823 4.750 -31.445 7.023 1.00 74.41 C ATOM 500 O VAL A 823 4.102 -32.016 6.146 1.00 0.33 O ATOM 501 CB VAL A 823 3.463 -29.271 7.379 1.00 11.31 C ATOM 502 CG1 VAL A 823 2.318 -30.067 6.751 1.00 72.42 C ATOM 503 CG2 VAL A 823 3.261 -29.117 8.888 1.00 51.42 C ATOM 0 H VAL A 823 4.631 -29.343 5.064 1.00 74.21 H new ATOM 0 HA VAL A 823 5.484 -29.645 7.886 1.00 32.52 H new ATOM 0 HB VAL A 823 3.459 -28.275 6.937 1.00 11.31 H new ATOM 0 HG11 VAL A 823 1.369 -29.586 6.986 1.00 72.42 H new ATOM 0 HG12 VAL A 823 2.449 -30.102 5.669 1.00 72.42 H new ATOM 0 HG13 VAL A 823 2.319 -31.082 7.149 1.00 72.42 H new ATOM 0 HG21 VAL A 823 2.292 -28.655 9.080 1.00 51.42 H new ATOM 0 HG22 VAL A 823 3.296 -30.098 9.362 1.00 51.42 H new ATOM 0 HG23 VAL A 823 4.051 -28.488 9.298 1.00 51.42 H new ATOM 513 N ARG A 824 5.429 -32.065 7.977 1.00 43.42 N ATOM 514 CA ARG A 824 5.457 -33.515 8.055 1.00 73.31 C ATOM 515 C ARG A 824 5.279 -33.972 9.504 1.00 21.22 C ATOM 516 O ARG A 824 6.021 -33.547 10.388 1.00 22.13 O ATOM 517 CB ARG A 824 6.774 -34.071 7.510 1.00 73.31 C ATOM 518 CG ARG A 824 6.640 -34.449 6.033 1.00 21.23 C ATOM 519 CD ARG A 824 7.968 -34.260 5.297 1.00 72.44 C ATOM 520 NE ARG A 824 7.986 -32.946 4.616 1.00 64.52 N ATOM 521 CZ ARG A 824 9.114 -32.284 4.281 1.00 54.53 C ATOM 522 NH1 ARG A 824 10.326 -32.807 4.562 1.00 73.44 N ATOM 523 NH2 ARG A 824 9.013 -31.115 3.675 1.00 71.34 N ATOM 0 H ARG A 824 5.964 -31.589 8.703 1.00 43.42 H new ATOM 0 HA ARG A 824 4.636 -33.896 7.447 1.00 73.31 H new ATOM 0 HB2 ARG A 824 7.563 -33.329 7.629 1.00 73.31 H new ATOM 0 HB3 ARG A 824 7.070 -34.947 8.088 1.00 73.31 H new ATOM 0 HG2 ARG A 824 6.317 -35.486 5.947 1.00 21.23 H new ATOM 0 HG3 ARG A 824 5.870 -33.835 5.565 1.00 21.23 H new ATOM 0 HD2 ARG A 824 8.797 -34.325 6.002 1.00 72.44 H new ATOM 0 HD3 ARG A 824 8.106 -35.059 4.568 1.00 72.44 H new ATOM 0 HE ARG A 824 7.091 -32.514 4.386 1.00 64.52 H new ATOM 0 HH11 ARG A 824 10.395 -33.710 5.031 1.00 73.44 H new ATOM 0 HH12 ARG A 824 11.173 -32.299 4.305 1.00 73.44 H new ATOM 0 HH21 ARG A 824 8.093 -30.726 3.467 1.00 71.34 H new ATOM 0 HH22 ARG A 824 9.855 -30.601 3.415 1.00 71.34 H new ATOM 536 N VAL A 825 4.291 -34.832 9.703 1.00 21.41 N ATOM 537 CA VAL A 825 4.007 -35.352 11.030 1.00 14.40 C ATOM 538 C VAL A 825 4.705 -36.701 11.205 1.00 21.54 C ATOM 539 O VAL A 825 4.959 -37.405 10.229 1.00 54.34 O ATOM 540 CB VAL A 825 2.494 -35.428 11.249 1.00 62.22 C ATOM 541 CG1 VAL A 825 1.915 -34.047 11.563 1.00 21.41 C ATOM 542 CG2 VAL A 825 1.796 -36.053 10.039 1.00 23.33 C ATOM 0 H VAL A 825 3.677 -35.182 8.967 1.00 21.41 H new ATOM 0 HA VAL A 825 4.400 -34.682 11.795 1.00 14.40 H new ATOM 0 HB VAL A 825 2.312 -36.071 12.110 1.00 62.22 H new ATOM 0 HG11 VAL A 825 0.839 -34.130 11.714 1.00 21.41 H new ATOM 0 HG12 VAL A 825 2.379 -33.655 12.468 1.00 21.41 H new ATOM 0 HG13 VAL A 825 2.114 -33.371 10.731 1.00 21.41 H new ATOM 0 HG21 VAL A 825 0.722 -36.095 10.220 1.00 23.33 H new ATOM 0 HG22 VAL A 825 1.991 -35.448 9.154 1.00 23.33 H new ATOM 0 HG23 VAL A 825 2.177 -37.062 9.880 1.00 23.33 H new ATOM 552 N ILE A 826 4.996 -37.023 12.457 1.00 5.33 N ATOM 553 CA ILE A 826 5.661 -38.276 12.773 1.00 12.22 C ATOM 554 C ILE A 826 4.615 -39.310 13.196 1.00 4.33 C ATOM 555 O ILE A 826 4.346 -39.475 14.385 1.00 4.12 O ATOM 556 CB ILE A 826 6.760 -38.052 13.813 1.00 5.01 C ATOM 557 CG1 ILE A 826 7.956 -37.321 13.198 1.00 31.14 C ATOM 558 CG2 ILE A 826 7.171 -39.372 14.470 1.00 41.45 C ATOM 559 CD1 ILE A 826 8.527 -36.289 14.172 1.00 3.33 C ATOM 0 H ILE A 826 4.783 -36.438 13.265 1.00 5.33 H new ATOM 0 HA ILE A 826 6.165 -38.673 11.892 1.00 12.22 H new ATOM 0 HB ILE A 826 6.361 -37.412 14.599 1.00 5.01 H new ATOM 0 HG12 ILE A 826 8.729 -38.041 12.931 1.00 31.14 H new ATOM 0 HG13 ILE A 826 7.650 -36.826 12.276 1.00 31.14 H new ATOM 0 HG21 ILE A 826 7.954 -39.184 15.205 1.00 41.45 H new ATOM 0 HG22 ILE A 826 6.307 -39.817 14.965 1.00 41.45 H new ATOM 0 HG23 ILE A 826 7.545 -40.056 13.709 1.00 41.45 H new ATOM 0 HD11 ILE A 826 9.376 -35.784 13.711 1.00 3.33 H new ATOM 0 HD12 ILE A 826 7.758 -35.556 14.418 1.00 3.33 H new ATOM 0 HD13 ILE A 826 8.855 -36.790 15.083 1.00 3.33 H new ATOM 571 N GLU A 827 4.054 -39.979 12.200 1.00 43.21 N ATOM 572 CA GLU A 827 3.044 -40.992 12.454 1.00 63.11 C ATOM 573 C GLU A 827 1.785 -40.351 13.040 1.00 53.13 C ATOM 574 O GLU A 827 1.019 -41.008 13.744 1.00 44.13 O ATOM 575 CB GLU A 827 3.584 -42.085 13.379 1.00 43.41 C ATOM 576 CG GLU A 827 4.797 -42.780 12.757 1.00 75.34 C ATOM 577 CD GLU A 827 4.408 -43.511 11.470 1.00 64.05 C ATOM 578 OE1 GLU A 827 3.935 -44.656 11.525 1.00 4.12 O ATOM 579 OE2 GLU A 827 4.613 -42.847 10.383 1.00 52.13 O ATOM 0 H GLU A 827 4.280 -39.839 11.215 1.00 43.21 H new ATOM 0 HA GLU A 827 2.782 -41.461 11.506 1.00 63.11 H new ATOM 0 HB2 GLU A 827 3.862 -41.649 14.339 1.00 43.41 H new ATOM 0 HB3 GLU A 827 2.802 -42.818 13.577 1.00 43.41 H new ATOM 0 HG2 GLU A 827 5.572 -42.044 12.542 1.00 75.34 H new ATOM 0 HG3 GLU A 827 5.220 -43.489 13.469 1.00 75.34 H new ATOM 587 N GLU A 828 1.608 -39.076 12.727 1.00 5.52 N ATOM 588 CA GLU A 828 0.455 -38.338 13.214 1.00 73.32 C ATOM 589 C GLU A 828 0.492 -38.242 14.740 1.00 12.33 C ATOM 590 O GLU A 828 -0.539 -38.372 15.399 1.00 24.33 O ATOM 591 CB GLU A 828 -0.849 -38.982 12.737 1.00 65.23 C ATOM 592 CG GLU A 828 -0.754 -39.384 11.263 1.00 33.04 C ATOM 593 CD GLU A 828 -2.066 -40.005 10.779 1.00 14.15 C ATOM 594 OE1 GLU A 828 -3.035 -39.278 10.513 1.00 31.04 O ATOM 595 OE2 GLU A 828 -2.058 -41.291 10.682 1.00 23.23 O ATOM 0 H GLU A 828 2.244 -38.535 12.142 1.00 5.52 H new ATOM 0 HA GLU A 828 0.495 -37.328 12.805 1.00 73.32 H new ATOM 0 HB2 GLU A 828 -1.068 -39.860 13.344 1.00 65.23 H new ATOM 0 HB3 GLU A 828 -1.675 -38.285 12.875 1.00 65.23 H new ATOM 0 HG2 GLU A 828 -0.517 -38.509 10.658 1.00 33.04 H new ATOM 0 HG3 GLU A 828 0.061 -40.095 11.128 1.00 33.04 H new ATOM 603 N CYS A 829 1.690 -38.014 15.258 1.00 12.51 N ATOM 604 CA CYS A 829 1.875 -37.898 16.695 1.00 54.13 C ATOM 605 C CYS A 829 2.260 -36.452 17.015 1.00 61.34 C ATOM 606 O CYS A 829 1.836 -35.903 18.030 1.00 34.21 O ATOM 607 CB CYS A 829 2.914 -38.894 17.213 1.00 11.22 C ATOM 608 SG CYS A 829 2.442 -40.596 16.736 1.00 34.34 S ATOM 0 H CYS A 829 2.542 -37.906 14.708 1.00 12.51 H new ATOM 0 HA CYS A 829 0.944 -38.146 17.206 1.00 54.13 H new ATOM 0 HB2 CYS A 829 3.896 -38.653 16.806 1.00 11.22 H new ATOM 0 HB3 CYS A 829 2.992 -38.820 18.298 1.00 11.22 H new ATOM 0 HG CYS A 829 1.790 -40.567 15.612 1.00 34.34 H new ATOM 614 N HIS A 830 3.060 -35.877 16.129 1.00 62.00 N ATOM 615 CA HIS A 830 3.508 -34.506 16.304 1.00 14.33 C ATOM 616 C HIS A 830 3.457 -33.774 14.962 1.00 51.32 C ATOM 617 O HIS A 830 3.433 -34.405 13.907 1.00 74.44 O ATOM 618 CB HIS A 830 4.894 -34.465 16.950 1.00 62.12 C ATOM 619 CG HIS A 830 5.180 -35.632 17.865 1.00 41.02 C ATOM 620 ND1 HIS A 830 5.515 -36.889 17.394 1.00 63.43 N ATOM 621 CD2 HIS A 830 5.178 -35.718 19.226 1.00 62.50 C ATOM 622 CE1 HIS A 830 5.703 -37.689 18.433 1.00 4.02 C ATOM 623 NE2 HIS A 830 5.494 -36.962 19.568 1.00 54.42 N ATOM 0 H HIS A 830 3.409 -36.336 15.288 1.00 62.00 H new ATOM 0 HA HIS A 830 2.838 -33.985 16.988 1.00 14.33 H new ATOM 0 HB2 HIS A 830 5.649 -34.439 16.164 1.00 62.12 H new ATOM 0 HB3 HIS A 830 4.992 -33.539 17.517 1.00 62.12 H new ATOM 0 HD2 HIS A 830 4.957 -34.912 19.910 1.00 62.50 H new ATOM 0 HE1 HIS A 830 5.974 -38.733 18.389 1.00 4.02 H new ATOM 0 HE2 HIS A 830 5.568 -37.315 20.522 1.00 54.42 H new ATOM 631 N TYR A 831 3.442 -32.452 15.045 1.00 3.54 N ATOM 632 CA TYR A 831 3.395 -31.627 13.850 1.00 11.52 C ATOM 633 C TYR A 831 4.682 -30.814 13.693 1.00 21.40 C ATOM 634 O TYR A 831 4.882 -29.820 14.389 1.00 31.22 O ATOM 635 CB TYR A 831 2.221 -30.666 14.047 1.00 13.23 C ATOM 636 CG TYR A 831 0.895 -31.178 13.481 1.00 63.45 C ATOM 637 CD1 TYR A 831 0.695 -31.212 12.115 1.00 4.24 C ATOM 638 CD2 TYR A 831 -0.101 -31.608 14.334 1.00 5.44 C ATOM 639 CE1 TYR A 831 -0.552 -31.694 11.582 1.00 71.30 C ATOM 640 CE2 TYR A 831 -1.348 -32.090 13.801 1.00 60.10 C ATOM 641 CZ TYR A 831 -1.512 -32.110 12.451 1.00 12.41 C ATOM 642 OH TYR A 831 -2.690 -32.565 11.947 1.00 34.33 O ATOM 0 H TYR A 831 3.462 -31.931 15.922 1.00 3.54 H new ATOM 0 HA TYR A 831 3.284 -32.247 12.960 1.00 11.52 H new ATOM 0 HB2 TYR A 831 2.099 -30.472 15.113 1.00 13.23 H new ATOM 0 HB3 TYR A 831 2.462 -29.713 13.575 1.00 13.23 H new ATOM 0 HD1 TYR A 831 1.474 -30.877 11.447 1.00 4.24 H new ATOM 0 HD2 TYR A 831 0.055 -31.583 15.402 1.00 5.44 H new ATOM 0 HE1 TYR A 831 -0.722 -31.725 10.516 1.00 71.30 H new ATOM 0 HE2 TYR A 831 -2.136 -32.428 14.458 1.00 60.10 H new ATOM 0 HH TYR A 831 -2.685 -32.475 10.971 1.00 34.33 H new ATOM 652 N THR A 832 5.522 -31.268 12.774 1.00 33.21 N ATOM 653 CA THR A 832 6.784 -30.596 12.517 1.00 61.23 C ATOM 654 C THR A 832 6.862 -30.149 11.056 1.00 61.44 C ATOM 655 O THR A 832 6.125 -30.652 10.209 1.00 62.23 O ATOM 656 CB THR A 832 7.915 -31.543 12.924 1.00 41.40 C ATOM 657 OG1 THR A 832 7.443 -32.153 14.122 1.00 11.41 O ATOM 658 CG2 THR A 832 9.177 -30.794 13.359 1.00 33.22 C ATOM 0 H THR A 832 5.353 -32.093 12.198 1.00 33.21 H new ATOM 0 HA THR A 832 6.875 -29.685 13.108 1.00 61.23 H new ATOM 0 HB THR A 832 8.154 -32.203 12.090 1.00 41.40 H new ATOM 0 HG1 THR A 832 7.766 -31.646 14.896 1.00 11.41 H new ATOM 0 HG21 THR A 832 9.948 -31.512 13.637 1.00 33.22 H new ATOM 0 HG22 THR A 832 9.536 -30.177 12.535 1.00 33.22 H new ATOM 0 HG23 THR A 832 8.947 -30.159 14.214 1.00 33.22 H new ATOM 666 N VAL A 833 7.762 -29.210 10.805 1.00 53.42 N ATOM 667 CA VAL A 833 7.946 -28.689 9.461 1.00 73.44 C ATOM 668 C VAL A 833 9.442 -28.593 9.156 1.00 11.42 C ATOM 669 O VAL A 833 10.240 -28.287 10.041 1.00 65.54 O ATOM 670 CB VAL A 833 7.218 -27.352 9.313 1.00 12.40 C ATOM 671 CG1 VAL A 833 7.538 -26.699 7.967 1.00 73.03 C ATOM 672 CG2 VAL A 833 5.708 -27.526 9.493 1.00 5.02 C ATOM 0 H VAL A 833 8.372 -28.796 11.510 1.00 53.42 H new ATOM 0 HA VAL A 833 7.508 -29.365 8.727 1.00 73.44 H new ATOM 0 HB VAL A 833 7.575 -26.688 10.101 1.00 12.40 H new ATOM 0 HG11 VAL A 833 7.008 -25.750 7.888 1.00 73.03 H new ATOM 0 HG12 VAL A 833 8.611 -26.522 7.894 1.00 73.03 H new ATOM 0 HG13 VAL A 833 7.224 -27.359 7.159 1.00 73.03 H new ATOM 0 HG21 VAL A 833 5.215 -26.560 9.383 1.00 5.02 H new ATOM 0 HG22 VAL A 833 5.329 -28.215 8.739 1.00 5.02 H new ATOM 0 HG23 VAL A 833 5.504 -27.927 10.486 1.00 5.02 H new ATOM 682 N LEU A 834 9.777 -28.858 7.902 1.00 35.00 N ATOM 683 CA LEU A 834 11.163 -28.805 7.470 1.00 52.31 C ATOM 684 C LEU A 834 11.370 -27.572 6.587 1.00 23.25 C ATOM 685 O LEU A 834 10.406 -26.932 6.173 1.00 54.33 O ATOM 686 CB LEU A 834 11.565 -30.118 6.796 1.00 30.22 C ATOM 687 CG LEU A 834 11.302 -31.393 7.601 1.00 55.33 C ATOM 688 CD1 LEU A 834 9.945 -32.000 7.237 1.00 64.22 C ATOM 689 CD2 LEU A 834 12.444 -32.396 7.428 1.00 12.12 C ATOM 0 H LEU A 834 9.112 -29.110 7.171 1.00 35.00 H new ATOM 0 HA LEU A 834 11.826 -28.699 8.329 1.00 52.31 H new ATOM 0 HB2 LEU A 834 11.033 -30.194 5.848 1.00 30.22 H new ATOM 0 HB3 LEU A 834 12.629 -30.073 6.562 1.00 30.22 H new ATOM 0 HG LEU A 834 11.264 -31.129 8.658 1.00 55.33 H new ATOM 0 HD11 LEU A 834 9.782 -32.905 7.823 1.00 64.22 H new ATOM 0 HD12 LEU A 834 9.155 -31.281 7.453 1.00 64.22 H new ATOM 0 HD13 LEU A 834 9.930 -32.247 6.176 1.00 64.22 H new ATOM 0 HD21 LEU A 834 12.232 -33.293 8.010 1.00 12.12 H new ATOM 0 HD22 LEU A 834 12.539 -32.661 6.375 1.00 12.12 H new ATOM 0 HD23 LEU A 834 13.376 -31.950 7.775 1.00 12.12 H new ATOM 701 N GLY A 835 12.635 -27.277 6.326 1.00 3.04 N ATOM 702 CA GLY A 835 12.982 -26.133 5.501 1.00 52.42 C ATOM 703 C GLY A 835 13.558 -24.998 6.350 1.00 14.23 C ATOM 704 O GLY A 835 12.961 -24.601 7.350 1.00 75.50 O ATOM 0 H GLY A 835 13.432 -27.811 6.672 1.00 3.04 H new ATOM 0 HA2 GLY A 835 13.709 -26.432 4.746 1.00 52.42 H new ATOM 0 HA3 GLY A 835 12.097 -25.782 4.970 1.00 52.42 H new ATOM 708 N ASP A 836 14.711 -24.507 5.921 1.00 10.12 N ATOM 709 CA ASP A 836 15.374 -23.426 6.630 1.00 41.41 C ATOM 710 C ASP A 836 14.439 -22.216 6.697 1.00 61.44 C ATOM 711 O ASP A 836 14.528 -21.408 7.620 1.00 63.43 O ATOM 712 CB ASP A 836 16.652 -22.996 5.907 1.00 2.42 C ATOM 713 CG ASP A 836 16.548 -22.949 4.381 1.00 13.45 C ATOM 714 OD1 ASP A 836 16.081 -21.956 3.804 1.00 42.34 O ATOM 715 OD2 ASP A 836 16.976 -24.003 3.773 1.00 14.41 O ATOM 0 H ASP A 836 15.203 -24.838 5.091 1.00 10.12 H new ATOM 0 HA ASP A 836 15.627 -23.783 7.629 1.00 41.41 H new ATOM 0 HB2 ASP A 836 16.940 -22.008 6.267 1.00 2.42 H new ATOM 0 HB3 ASP A 836 17.454 -23.681 6.180 1.00 2.42 H new ATOM 721 N ALA A 837 13.564 -22.130 5.706 1.00 74.31 N ATOM 722 CA ALA A 837 12.613 -21.033 5.640 1.00 20.34 C ATOM 723 C ALA A 837 11.804 -20.987 6.938 1.00 4.34 C ATOM 724 O ALA A 837 11.523 -19.909 7.460 1.00 33.01 O ATOM 725 CB ALA A 837 11.725 -21.200 4.406 1.00 71.22 C ATOM 0 H ALA A 837 13.493 -22.802 4.942 1.00 74.31 H new ATOM 0 HA ALA A 837 13.133 -20.080 5.541 1.00 20.34 H new ATOM 0 HB1 ALA A 837 11.012 -20.377 4.357 1.00 71.22 H new ATOM 0 HB2 ALA A 837 12.344 -21.198 3.509 1.00 71.22 H new ATOM 0 HB3 ALA A 837 11.185 -22.145 4.471 1.00 71.22 H new ATOM 731 N PHE A 838 11.454 -22.169 7.422 1.00 32.24 N ATOM 732 CA PHE A 838 10.683 -22.277 8.650 1.00 41.05 C ATOM 733 C PHE A 838 11.599 -22.266 9.875 1.00 21.10 C ATOM 734 O PHE A 838 11.135 -22.084 11.000 1.00 62.14 O ATOM 735 CB PHE A 838 9.940 -23.613 8.595 1.00 71.11 C ATOM 736 CG PHE A 838 9.475 -24.123 9.961 1.00 65.13 C ATOM 737 CD1 PHE A 838 8.550 -23.423 10.669 1.00 11.53 C ATOM 738 CD2 PHE A 838 9.988 -25.277 10.466 1.00 2.00 C ATOM 739 CE1 PHE A 838 8.119 -23.896 11.937 1.00 52.12 C ATOM 740 CE2 PHE A 838 9.557 -25.750 11.733 1.00 22.25 C ATOM 741 CZ PHE A 838 8.632 -25.050 12.442 1.00 14.21 C ATOM 0 H PHE A 838 11.690 -23.061 6.987 1.00 32.24 H new ATOM 0 HA PHE A 838 9.998 -21.434 8.735 1.00 41.05 H new ATOM 0 HB2 PHE A 838 9.073 -23.508 7.943 1.00 71.11 H new ATOM 0 HB3 PHE A 838 10.591 -24.361 8.142 1.00 71.11 H new ATOM 0 HD1 PHE A 838 8.143 -22.507 10.267 1.00 11.53 H new ATOM 0 HD2 PHE A 838 10.723 -25.833 9.903 1.00 2.00 H new ATOM 0 HE1 PHE A 838 7.384 -23.340 12.500 1.00 52.12 H new ATOM 0 HE2 PHE A 838 9.964 -26.666 12.134 1.00 22.25 H new ATOM 0 HZ PHE A 838 8.305 -25.410 13.406 1.00 14.21 H new ATOM 751 N LYS A 839 12.883 -22.463 9.616 1.00 64.31 N ATOM 752 CA LYS A 839 13.869 -22.478 10.684 1.00 74.41 C ATOM 753 C LYS A 839 14.034 -21.063 11.240 1.00 54.42 C ATOM 754 O LYS A 839 14.287 -20.885 12.430 1.00 3.12 O ATOM 755 CB LYS A 839 15.177 -23.104 10.197 1.00 61.31 C ATOM 756 CG LYS A 839 15.023 -24.614 10.000 1.00 0.15 C ATOM 757 CD LYS A 839 16.376 -25.321 10.100 1.00 44.41 C ATOM 758 CE LYS A 839 17.386 -24.712 9.125 1.00 52.25 C ATOM 759 NZ LYS A 839 18.769 -24.950 9.594 1.00 31.21 N ATOM 0 H LYS A 839 13.264 -22.614 8.682 1.00 64.31 H new ATOM 0 HA LYS A 839 13.529 -23.106 11.507 1.00 74.41 H new ATOM 0 HB2 LYS A 839 15.479 -22.640 9.258 1.00 61.31 H new ATOM 0 HB3 LYS A 839 15.969 -22.907 10.919 1.00 61.31 H new ATOM 0 HG2 LYS A 839 14.343 -25.015 10.752 1.00 0.15 H new ATOM 0 HG3 LYS A 839 14.576 -24.814 9.026 1.00 0.15 H new ATOM 0 HD2 LYS A 839 16.756 -25.244 11.119 1.00 44.41 H new ATOM 0 HD3 LYS A 839 16.252 -26.383 9.885 1.00 44.41 H new ATOM 0 HE2 LYS A 839 17.252 -25.147 8.135 1.00 52.25 H new ATOM 0 HE3 LYS A 839 17.208 -23.641 9.029 1.00 52.25 H new ATOM 0 HZ1 LYS A 839 19.441 -24.530 8.921 1.00 31.21 H new ATOM 0 HZ2 LYS A 839 18.898 -24.514 10.529 1.00 31.21 H new ATOM 0 HZ3 LYS A 839 18.941 -25.973 9.662 1.00 31.21 H new ATOM 772 N GLU A 840 13.883 -20.091 10.352 1.00 72.25 N ATOM 773 CA GLU A 840 14.012 -18.697 10.738 1.00 11.45 C ATOM 774 C GLU A 840 12.667 -18.154 11.226 1.00 31.31 C ATOM 775 O GLU A 840 12.592 -17.037 11.734 1.00 14.33 O ATOM 776 CB GLU A 840 14.556 -17.855 9.582 1.00 13.14 C ATOM 777 CG GLU A 840 13.692 -18.020 8.330 1.00 21.13 C ATOM 778 CD GLU A 840 13.899 -16.853 7.363 1.00 4.54 C ATOM 779 OE1 GLU A 840 13.106 -16.674 6.428 1.00 75.03 O ATOM 780 OE2 GLU A 840 14.928 -16.115 7.612 1.00 63.14 O ATOM 0 H GLU A 840 13.672 -20.242 9.366 1.00 72.25 H new ATOM 0 HA GLU A 840 14.727 -18.633 11.558 1.00 11.45 H new ATOM 0 HB2 GLU A 840 14.583 -16.805 9.874 1.00 13.14 H new ATOM 0 HB3 GLU A 840 15.582 -18.152 9.362 1.00 13.14 H new ATOM 0 HG2 GLU A 840 13.941 -18.957 7.833 1.00 21.13 H new ATOM 0 HG3 GLU A 840 12.641 -18.079 8.614 1.00 21.13 H new ATOM 788 N CYS A 841 11.638 -18.971 11.054 1.00 22.44 N ATOM 789 CA CYS A 841 10.300 -18.588 11.471 1.00 51.44 C ATOM 790 C CYS A 841 10.192 -18.787 12.984 1.00 72.34 C ATOM 791 O CYS A 841 9.437 -18.084 13.654 1.00 61.13 O ATOM 792 CB CYS A 841 9.226 -19.371 10.713 1.00 14.23 C ATOM 793 SG CYS A 841 7.677 -18.399 10.642 1.00 75.20 S ATOM 0 H CYS A 841 11.704 -19.897 10.631 1.00 22.44 H new ATOM 0 HA CYS A 841 10.128 -17.539 11.232 1.00 51.44 H new ATOM 0 HB2 CYS A 841 9.571 -19.595 9.704 1.00 14.23 H new ATOM 0 HB3 CYS A 841 9.044 -20.326 11.206 1.00 14.23 H new ATOM 0 HG CYS A 841 7.135 -18.531 9.468 1.00 75.20 H new ATOM 799 N PHE A 842 10.957 -19.749 13.478 1.00 61.33 N ATOM 800 CA PHE A 842 10.957 -20.050 14.899 1.00 32.32 C ATOM 801 C PHE A 842 12.341 -19.820 15.509 1.00 62.53 C ATOM 802 O PHE A 842 13.224 -19.260 14.860 1.00 34.33 O ATOM 803 CB PHE A 842 10.588 -21.528 15.043 1.00 21.23 C ATOM 804 CG PHE A 842 11.795 -22.467 15.112 1.00 14.41 C ATOM 805 CD1 PHE A 842 12.581 -22.645 14.017 1.00 75.34 C ATOM 806 CD2 PHE A 842 12.081 -23.122 16.269 1.00 62.13 C ATOM 807 CE1 PHE A 842 13.700 -23.516 14.080 1.00 22.25 C ATOM 808 CE2 PHE A 842 13.201 -23.993 16.333 1.00 71.14 C ATOM 809 CZ PHE A 842 13.987 -24.172 15.237 1.00 13.20 C ATOM 0 H PHE A 842 11.581 -20.330 12.919 1.00 61.33 H new ATOM 0 HA PHE A 842 10.250 -19.402 15.416 1.00 32.32 H new ATOM 0 HB2 PHE A 842 9.989 -21.656 15.945 1.00 21.23 H new ATOM 0 HB3 PHE A 842 9.962 -21.819 14.200 1.00 21.23 H new ATOM 0 HD1 PHE A 842 12.354 -22.123 13.099 1.00 75.34 H new ATOM 0 HD2 PHE A 842 11.457 -22.980 17.139 1.00 62.13 H new ATOM 0 HE1 PHE A 842 14.324 -23.658 13.210 1.00 22.25 H new ATOM 0 HE2 PHE A 842 13.429 -24.513 17.252 1.00 71.14 H new ATOM 0 HZ PHE A 842 14.838 -24.835 15.285 1.00 13.20 H new ATOM 819 N VAL A 843 12.488 -20.265 16.748 1.00 0.22 N ATOM 820 CA VAL A 843 13.750 -20.115 17.453 1.00 41.55 C ATOM 821 C VAL A 843 13.959 -21.316 18.377 1.00 45.32 C ATOM 822 O VAL A 843 13.002 -21.994 18.746 1.00 11.53 O ATOM 823 CB VAL A 843 13.779 -18.777 18.195 1.00 42.23 C ATOM 824 CG1 VAL A 843 13.405 -17.624 17.261 1.00 1.23 C ATOM 825 CG2 VAL A 843 12.864 -18.810 19.420 1.00 14.31 C ATOM 0 H VAL A 843 11.754 -20.730 17.282 1.00 0.22 H new ATOM 0 HA VAL A 843 14.582 -20.099 16.748 1.00 41.55 H new ATOM 0 HB VAL A 843 14.798 -18.608 18.543 1.00 42.23 H new ATOM 0 HG11 VAL A 843 13.433 -16.685 17.813 1.00 1.23 H new ATOM 0 HG12 VAL A 843 14.114 -17.581 16.434 1.00 1.23 H new ATOM 0 HG13 VAL A 843 12.401 -17.784 16.869 1.00 1.23 H new ATOM 0 HG21 VAL A 843 12.903 -17.847 19.929 1.00 14.31 H new ATOM 0 HG22 VAL A 843 11.841 -19.012 19.104 1.00 14.31 H new ATOM 0 HG23 VAL A 843 13.195 -19.594 20.101 1.00 14.31 H new ATOM 835 N SER A 844 15.218 -21.543 18.724 1.00 51.53 N ATOM 836 CA SER A 844 15.565 -22.650 19.598 1.00 62.12 C ATOM 837 C SER A 844 16.341 -22.135 20.812 1.00 60.22 C ATOM 838 O SER A 844 17.458 -21.639 20.674 1.00 22.34 O ATOM 839 CB SER A 844 16.386 -23.704 18.852 1.00 75.23 C ATOM 840 OG SER A 844 17.776 -23.394 18.848 1.00 24.24 O ATOM 0 H SER A 844 16.010 -20.979 18.415 1.00 51.53 H new ATOM 0 HA SER A 844 14.642 -23.120 19.937 1.00 62.12 H new ATOM 0 HB2 SER A 844 16.233 -24.678 19.317 1.00 75.23 H new ATOM 0 HB3 SER A 844 16.029 -23.781 17.825 1.00 75.23 H new ATOM 0 HG SER A 844 17.909 -22.484 19.187 1.00 24.24 H new ATOM 846 N ARG A 845 15.718 -22.271 21.973 1.00 12.31 N ATOM 847 CA ARG A 845 16.336 -21.825 23.211 1.00 72.44 C ATOM 848 C ARG A 845 17.069 -22.986 23.885 1.00 24.22 C ATOM 849 O ARG A 845 16.448 -23.969 24.286 1.00 52.01 O ATOM 850 CB ARG A 845 15.291 -21.261 24.176 1.00 63.32 C ATOM 851 CG ARG A 845 14.278 -20.385 23.436 1.00 21.05 C ATOM 852 CD ARG A 845 14.869 -19.009 23.123 1.00 40.10 C ATOM 853 NE ARG A 845 15.979 -19.144 22.153 1.00 12.31 N ATOM 854 CZ ARG A 845 17.001 -18.269 22.046 1.00 1.53 C ATOM 855 NH1 ARG A 845 17.063 -17.186 22.850 1.00 11.23 N ATOM 856 NH2 ARG A 845 17.939 -18.487 21.144 1.00 62.22 N ATOM 0 H ARG A 845 14.792 -22.684 22.083 1.00 12.31 H new ATOM 0 HA ARG A 845 17.047 -21.037 22.963 1.00 72.44 H new ATOM 0 HB2 ARG A 845 14.773 -22.080 24.676 1.00 63.32 H new ATOM 0 HB3 ARG A 845 15.785 -20.676 24.952 1.00 63.32 H new ATOM 0 HG2 ARG A 845 13.976 -20.874 22.510 1.00 21.05 H new ATOM 0 HG3 ARG A 845 13.380 -20.270 24.043 1.00 21.05 H new ATOM 0 HD2 ARG A 845 14.097 -18.356 22.716 1.00 40.10 H new ATOM 0 HD3 ARG A 845 15.230 -18.542 24.039 1.00 40.10 H new ATOM 0 HE ARG A 845 15.971 -19.949 21.526 1.00 12.31 H new ATOM 0 HH11 ARG A 845 16.334 -17.024 23.545 1.00 11.23 H new ATOM 0 HH12 ARG A 845 17.839 -16.530 22.763 1.00 11.23 H new ATOM 0 HH21 ARG A 845 17.885 -19.307 20.540 1.00 62.22 H new ATOM 0 HH22 ARG A 845 18.718 -17.835 21.051 1.00 62.22 H new ATOM 869 N PRO A 846 18.416 -22.830 23.993 1.00 61.11 N ATOM 870 CA PRO A 846 19.241 -23.853 24.612 1.00 20.41 C ATOM 871 C PRO A 846 19.083 -23.839 26.134 1.00 52.31 C ATOM 872 O PRO A 846 20.021 -23.504 26.856 1.00 72.22 O ATOM 873 CB PRO A 846 20.658 -23.544 24.159 1.00 4.52 C ATOM 874 CG PRO A 846 20.639 -22.099 23.688 1.00 52.43 C ATOM 875 CD PRO A 846 19.186 -21.680 23.530 1.00 44.53 C ATOM 0 HA PRO A 846 18.953 -24.861 24.315 1.00 20.41 H new ATOM 0 HB2 PRO A 846 21.367 -23.679 24.975 1.00 4.52 H new ATOM 0 HB3 PRO A 846 20.966 -24.213 23.355 1.00 4.52 H new ATOM 0 HG2 PRO A 846 21.146 -21.456 24.408 1.00 52.43 H new ATOM 0 HG3 PRO A 846 21.170 -21.999 22.742 1.00 52.43 H new ATOM 0 HD2 PRO A 846 18.964 -20.791 24.120 1.00 44.53 H new ATOM 0 HD3 PRO A 846 18.954 -21.440 22.492 1.00 44.53 H new ATOM 883 N HIS A 847 17.889 -24.206 26.576 1.00 1.33 N ATOM 884 CA HIS A 847 17.596 -24.239 27.999 1.00 20.01 C ATOM 885 C HIS A 847 16.871 -25.542 28.343 1.00 11.43 C ATOM 886 O HIS A 847 15.644 -25.607 28.286 1.00 30.14 O ATOM 887 CB HIS A 847 16.813 -22.995 28.422 1.00 54.34 C ATOM 888 CG HIS A 847 16.336 -23.026 29.854 1.00 22.13 C ATOM 889 ND1 HIS A 847 15.000 -23.138 30.198 1.00 63.01 N ATOM 890 CD2 HIS A 847 17.031 -22.960 31.026 1.00 21.02 C ATOM 891 CE1 HIS A 847 14.907 -23.137 31.520 1.00 71.35 C ATOM 892 NE2 HIS A 847 16.166 -23.026 32.031 1.00 65.40 N ATOM 0 H HIS A 847 17.113 -24.483 25.974 1.00 1.33 H new ATOM 0 HA HIS A 847 18.527 -24.221 28.566 1.00 20.01 H new ATOM 0 HB2 HIS A 847 17.442 -22.116 28.278 1.00 54.34 H new ATOM 0 HB3 HIS A 847 15.951 -22.880 27.765 1.00 54.34 H new ATOM 0 HD2 HIS A 847 18.103 -22.869 31.120 1.00 21.02 H new ATOM 0 HE1 HIS A 847 13.994 -23.211 32.092 1.00 71.35 H new ATOM 0 HE2 HIS A 847 16.404 -22.998 33.022 1.00 65.40 H new ATOM 900 N PRO A 848 17.682 -26.573 28.702 1.00 15.10 N ATOM 901 CA PRO A 848 17.130 -27.870 29.055 1.00 24.14 C ATOM 902 C PRO A 848 16.499 -27.836 30.449 1.00 72.44 C ATOM 903 O PRO A 848 16.688 -26.879 31.197 1.00 53.52 O ATOM 904 CB PRO A 848 18.301 -28.835 28.957 1.00 52.10 C ATOM 905 CG PRO A 848 19.554 -27.976 29.007 1.00 61.21 C ATOM 906 CD PRO A 848 19.139 -26.532 28.780 1.00 12.25 C ATOM 0 HA PRO A 848 16.321 -28.177 28.393 1.00 24.14 H new ATOM 0 HB2 PRO A 848 18.286 -29.552 29.778 1.00 52.10 H new ATOM 0 HB3 PRO A 848 18.258 -29.409 28.031 1.00 52.10 H new ATOM 0 HG2 PRO A 848 20.052 -28.083 29.971 1.00 61.21 H new ATOM 0 HG3 PRO A 848 20.265 -28.293 28.244 1.00 61.21 H new ATOM 0 HD2 PRO A 848 19.474 -25.891 29.595 1.00 12.25 H new ATOM 0 HD3 PRO A 848 19.574 -26.135 27.863 1.00 12.25 H new ATOM 914 N LYS A 849 15.762 -28.894 30.755 1.00 53.11 N ATOM 915 CA LYS A 849 15.101 -28.998 32.045 1.00 3.50 C ATOM 916 C LYS A 849 15.727 -30.143 32.843 1.00 71.42 C ATOM 917 O LYS A 849 16.416 -30.993 32.280 1.00 52.31 O ATOM 918 CB LYS A 849 13.588 -29.129 31.863 1.00 32.31 C ATOM 919 CG LYS A 849 13.177 -30.597 31.733 1.00 30.55 C ATOM 920 CD LYS A 849 11.658 -30.733 31.608 1.00 1.21 C ATOM 921 CE LYS A 849 10.944 -29.926 32.695 1.00 44.15 C ATOM 922 NZ LYS A 849 9.574 -30.443 32.908 1.00 2.12 N ATOM 0 H LYS A 849 15.608 -29.687 30.132 1.00 53.11 H new ATOM 0 HA LYS A 849 15.250 -28.087 32.624 1.00 3.50 H new ATOM 0 HB2 LYS A 849 13.075 -28.678 32.713 1.00 32.31 H new ATOM 0 HB3 LYS A 849 13.276 -28.580 30.974 1.00 32.31 H new ATOM 0 HG2 LYS A 849 13.658 -31.037 30.859 1.00 30.55 H new ATOM 0 HG3 LYS A 849 13.525 -31.154 32.603 1.00 30.55 H new ATOM 0 HD2 LYS A 849 11.338 -30.388 30.625 1.00 1.21 H new ATOM 0 HD3 LYS A 849 11.376 -31.783 31.685 1.00 1.21 H new ATOM 0 HE2 LYS A 849 11.508 -29.980 33.626 1.00 44.15 H new ATOM 0 HE3 LYS A 849 10.902 -28.875 32.408 1.00 44.15 H new ATOM 0 HZ1 LYS A 849 9.103 -29.885 33.648 1.00 2.12 H new ATOM 0 HZ2 LYS A 849 9.034 -30.369 32.023 1.00 2.12 H new ATOM 0 HZ3 LYS A 849 9.621 -31.439 33.203 1.00 2.12 H new ATOM 935 N PRO A 850 15.458 -30.130 34.176 1.00 54.23 N ATOM 936 CA PRO A 850 15.986 -31.157 35.057 1.00 63.34 C ATOM 937 C PRO A 850 15.227 -32.474 34.881 1.00 13.13 C ATOM 938 O PRO A 850 14.098 -32.483 34.393 1.00 33.12 O ATOM 939 CB PRO A 850 15.858 -30.579 36.457 1.00 62.45 C ATOM 940 CG PRO A 850 14.843 -29.453 36.351 1.00 32.12 C ATOM 941 CD PRO A 850 14.646 -29.140 34.877 1.00 14.31 C ATOM 0 HA PRO A 850 17.024 -31.406 34.838 1.00 63.34 H new ATOM 0 HB2 PRO A 850 15.526 -31.339 37.165 1.00 62.45 H new ATOM 0 HB3 PRO A 850 16.818 -30.207 36.815 1.00 62.45 H new ATOM 0 HG2 PRO A 850 13.898 -29.747 36.808 1.00 32.12 H new ATOM 0 HG3 PRO A 850 15.195 -28.570 36.885 1.00 32.12 H new ATOM 0 HD2 PRO A 850 13.596 -29.216 34.593 1.00 14.31 H new ATOM 0 HD3 PRO A 850 14.967 -28.126 34.641 1.00 14.31 H new ATOM 949 N LYS A 851 15.877 -33.554 35.289 1.00 13.13 N ATOM 950 CA LYS A 851 15.277 -34.873 35.184 1.00 74.03 C ATOM 951 C LYS A 851 13.819 -34.804 35.644 1.00 41.22 C ATOM 952 O LYS A 851 13.542 -34.445 36.787 1.00 14.11 O ATOM 953 CB LYS A 851 16.113 -35.905 35.944 1.00 41.55 C ATOM 954 CG LYS A 851 16.046 -35.660 37.453 1.00 64.35 C ATOM 955 CD LYS A 851 17.136 -36.447 38.184 1.00 73.21 C ATOM 956 CE LYS A 851 18.435 -35.643 38.260 1.00 23.50 C ATOM 957 NZ LYS A 851 19.150 -35.689 36.965 1.00 74.25 N ATOM 0 H LYS A 851 16.814 -33.542 35.693 1.00 13.13 H new ATOM 0 HA LYS A 851 15.269 -35.206 34.146 1.00 74.03 H new ATOM 0 HB2 LYS A 851 15.752 -36.908 35.718 1.00 41.55 H new ATOM 0 HB3 LYS A 851 17.149 -35.856 35.610 1.00 41.55 H new ATOM 0 HG2 LYS A 851 16.161 -34.596 37.658 1.00 64.35 H new ATOM 0 HG3 LYS A 851 15.066 -35.953 37.830 1.00 64.35 H new ATOM 0 HD2 LYS A 851 16.798 -36.695 39.190 1.00 73.21 H new ATOM 0 HD3 LYS A 851 17.317 -37.390 37.668 1.00 73.21 H new ATOM 0 HE2 LYS A 851 18.214 -34.609 38.524 1.00 23.50 H new ATOM 0 HE3 LYS A 851 19.072 -36.044 39.048 1.00 23.50 H new ATOM 0 HZ1 LYS A 851 20.176 -35.683 37.135 1.00 74.25 H new ATOM 0 HZ2 LYS A 851 18.888 -36.556 36.455 1.00 74.25 H new ATOM 0 HZ3 LYS A 851 18.889 -34.860 36.395 1.00 74.25 H new ATOM 970 N GLN A 852 12.926 -35.153 34.729 1.00 22.24 N ATOM 971 CA GLN A 852 11.504 -35.135 35.027 1.00 60.31 C ATOM 972 C GLN A 852 10.815 -36.348 34.399 1.00 71.25 C ATOM 973 O GLN A 852 11.309 -36.911 33.423 1.00 63.10 O ATOM 974 CB GLN A 852 10.861 -33.831 34.551 1.00 74.53 C ATOM 975 CG GLN A 852 9.652 -33.468 35.416 1.00 61.41 C ATOM 976 CD GLN A 852 8.378 -34.126 34.882 1.00 21.40 C ATOM 977 OE1 GLN A 852 8.189 -34.294 33.689 1.00 74.45 O ATOM 978 NE2 GLN A 852 7.518 -34.488 35.830 1.00 61.52 N ATOM 0 H GLN A 852 13.160 -35.450 33.782 1.00 22.24 H new ATOM 0 HA GLN A 852 11.378 -35.190 36.108 1.00 60.31 H new ATOM 0 HB2 GLN A 852 11.594 -33.025 34.588 1.00 74.53 H new ATOM 0 HB3 GLN A 852 10.551 -33.933 33.511 1.00 74.53 H new ATOM 0 HG2 GLN A 852 9.827 -33.787 36.444 1.00 61.41 H new ATOM 0 HG3 GLN A 852 9.526 -32.385 35.435 1.00 61.41 H new ATOM 0 HE21 GLN A 852 7.739 -34.318 36.811 1.00 61.52 H new ATOM 0 HE22 GLN A 852 6.638 -34.936 35.576 1.00 61.52 H new ATOM 987 N PHE A 853 9.684 -36.715 34.983 1.00 21.13 N ATOM 988 CA PHE A 853 8.922 -37.851 34.493 1.00 41.02 C ATOM 989 C PHE A 853 7.980 -37.432 33.362 1.00 22.31 C ATOM 990 O PHE A 853 7.013 -36.708 33.591 1.00 33.14 O ATOM 991 CB PHE A 853 8.091 -38.372 35.667 1.00 74.25 C ATOM 992 CG PHE A 853 7.580 -39.802 35.481 1.00 71.53 C ATOM 993 CD1 PHE A 853 8.426 -40.776 35.049 1.00 10.14 C ATOM 994 CD2 PHE A 853 6.280 -40.100 35.747 1.00 71.30 C ATOM 995 CE1 PHE A 853 7.952 -42.103 34.877 1.00 20.40 C ATOM 996 CE2 PHE A 853 5.806 -41.428 35.575 1.00 50.34 C ATOM 997 CZ PHE A 853 6.652 -42.401 35.143 1.00 30.23 C ATOM 0 H PHE A 853 9.277 -36.245 35.792 1.00 21.13 H new ATOM 0 HA PHE A 853 9.598 -38.613 34.104 1.00 41.02 H new ATOM 0 HB2 PHE A 853 8.694 -38.328 36.574 1.00 74.25 H new ATOM 0 HB3 PHE A 853 7.239 -37.709 35.818 1.00 74.25 H new ATOM 0 HD1 PHE A 853 9.458 -40.540 34.837 1.00 10.14 H new ATOM 0 HD2 PHE A 853 5.608 -39.327 36.089 1.00 71.30 H new ATOM 0 HE1 PHE A 853 8.624 -42.876 34.535 1.00 20.40 H new ATOM 0 HE2 PHE A 853 4.774 -41.665 35.787 1.00 50.34 H new ATOM 0 HZ PHE A 853 6.292 -43.410 35.011 1.00 30.23 H new ATOM 1007 N SER A 854 8.296 -37.906 32.166 1.00 42.13 N ATOM 1008 CA SER A 854 7.490 -37.590 30.999 1.00 42.32 C ATOM 1009 C SER A 854 7.825 -38.550 29.856 1.00 61.03 C ATOM 1010 O SER A 854 8.751 -39.352 29.965 1.00 22.22 O ATOM 1011 CB SER A 854 7.707 -36.141 30.556 1.00 74.41 C ATOM 1012 OG SER A 854 6.581 -35.624 29.852 1.00 35.40 O ATOM 0 H SER A 854 9.099 -38.507 31.980 1.00 42.13 H new ATOM 0 HA SER A 854 6.440 -37.707 31.267 1.00 42.32 H new ATOM 0 HB2 SER A 854 7.904 -35.520 31.430 1.00 74.41 H new ATOM 0 HB3 SER A 854 8.590 -36.085 29.919 1.00 74.41 H new ATOM 0 HG SER A 854 6.758 -34.697 29.588 1.00 35.40 H new ATOM 1018 N SER A 855 7.053 -38.437 28.785 1.00 43.41 N ATOM 1019 CA SER A 855 7.256 -39.285 27.623 1.00 44.33 C ATOM 1020 C SER A 855 8.539 -38.877 26.895 1.00 22.12 C ATOM 1021 O SER A 855 9.517 -39.624 26.887 1.00 13.34 O ATOM 1022 CB SER A 855 6.060 -39.211 26.671 1.00 24.04 C ATOM 1023 OG SER A 855 6.237 -40.041 25.526 1.00 2.24 O ATOM 0 H SER A 855 6.286 -37.771 28.698 1.00 43.41 H new ATOM 0 HA SER A 855 7.351 -40.316 27.965 1.00 44.33 H new ATOM 0 HB2 SER A 855 5.156 -39.512 27.201 1.00 24.04 H new ATOM 0 HB3 SER A 855 5.914 -38.179 26.352 1.00 24.04 H new ATOM 0 HG SER A 855 6.801 -39.579 24.871 1.00 2.24 H new ATOM 1029 N PHE A 856 8.494 -37.694 26.301 1.00 1.55 N ATOM 1030 CA PHE A 856 9.641 -37.178 25.573 1.00 54.51 C ATOM 1031 C PHE A 856 10.591 -36.427 26.507 1.00 3.53 C ATOM 1032 O PHE A 856 10.319 -36.294 27.699 1.00 3.55 O ATOM 1033 CB PHE A 856 9.102 -36.204 24.523 1.00 71.03 C ATOM 1034 CG PHE A 856 8.553 -36.884 23.267 1.00 20.40 C ATOM 1035 CD1 PHE A 856 8.300 -38.221 23.273 1.00 12.32 C ATOM 1036 CD2 PHE A 856 8.318 -36.153 22.145 1.00 64.13 C ATOM 1037 CE1 PHE A 856 7.790 -38.852 22.108 1.00 65.12 C ATOM 1038 CE2 PHE A 856 7.809 -36.785 20.979 1.00 1.43 C ATOM 1039 CZ PHE A 856 7.556 -38.121 20.985 1.00 11.24 C ATOM 0 H PHE A 856 7.681 -37.078 26.309 1.00 1.55 H new ATOM 0 HA PHE A 856 10.195 -38.000 25.120 1.00 54.51 H new ATOM 0 HB2 PHE A 856 8.312 -35.602 24.972 1.00 71.03 H new ATOM 0 HB3 PHE A 856 9.899 -35.519 24.234 1.00 71.03 H new ATOM 0 HD1 PHE A 856 8.487 -38.802 24.164 1.00 12.32 H new ATOM 0 HD2 PHE A 856 8.518 -35.092 22.140 1.00 64.13 H new ATOM 0 HE1 PHE A 856 7.588 -39.913 22.113 1.00 65.12 H new ATOM 0 HE2 PHE A 856 7.623 -36.204 20.088 1.00 1.43 H new ATOM 0 HZ PHE A 856 7.169 -38.602 20.098 1.00 11.24 H new ATOM 1049 N GLU A 857 11.687 -35.955 25.930 1.00 31.14 N ATOM 1050 CA GLU A 857 12.679 -35.221 26.697 1.00 45.14 C ATOM 1051 C GLU A 857 13.007 -33.894 26.008 1.00 34.23 C ATOM 1052 O GLU A 857 13.634 -33.878 24.951 1.00 45.22 O ATOM 1053 CB GLU A 857 13.943 -36.058 26.902 1.00 63.33 C ATOM 1054 CG GLU A 857 13.599 -37.447 27.444 1.00 70.14 C ATOM 1055 CD GLU A 857 13.999 -37.576 28.915 1.00 74.12 C ATOM 1056 OE1 GLU A 857 13.479 -36.839 29.765 1.00 15.14 O ATOM 1057 OE2 GLU A 857 14.883 -38.482 29.162 1.00 34.53 O ATOM 0 H GLU A 857 11.909 -36.067 24.941 1.00 31.14 H new ATOM 0 HA GLU A 857 12.262 -35.005 27.681 1.00 45.14 H new ATOM 0 HB2 GLU A 857 14.477 -36.155 25.957 1.00 63.33 H new ATOM 0 HB3 GLU A 857 14.612 -35.549 27.595 1.00 63.33 H new ATOM 0 HG2 GLU A 857 12.530 -37.628 27.337 1.00 70.14 H new ATOM 0 HG3 GLU A 857 14.112 -38.208 26.856 1.00 70.14 H new ATOM 1065 N LYS A 858 12.566 -32.814 26.636 1.00 0.04 N ATOM 1066 CA LYS A 858 12.804 -31.486 26.098 1.00 41.35 C ATOM 1067 C LYS A 858 14.038 -30.881 26.770 1.00 42.11 C ATOM 1068 O LYS A 858 14.019 -30.590 27.965 1.00 54.12 O ATOM 1069 CB LYS A 858 11.548 -30.622 26.227 1.00 51.10 C ATOM 1070 CG LYS A 858 10.282 -31.473 26.107 1.00 23.30 C ATOM 1071 CD LYS A 858 9.027 -30.620 26.299 1.00 1.21 C ATOM 1072 CE LYS A 858 8.715 -30.430 27.785 1.00 45.31 C ATOM 1073 NZ LYS A 858 7.870 -31.537 28.283 1.00 74.30 N ATOM 0 H LYS A 858 12.045 -32.832 27.513 1.00 0.04 H new ATOM 0 HA LYS A 858 13.017 -31.541 25.030 1.00 41.35 H new ATOM 0 HB2 LYS A 858 11.554 -30.106 27.187 1.00 51.10 H new ATOM 0 HB3 LYS A 858 11.549 -29.854 25.453 1.00 51.10 H new ATOM 0 HG2 LYS A 858 10.254 -31.953 25.129 1.00 23.30 H new ATOM 0 HG3 LYS A 858 10.303 -32.269 26.852 1.00 23.30 H new ATOM 0 HD2 LYS A 858 9.168 -29.648 25.826 1.00 1.21 H new ATOM 0 HD3 LYS A 858 8.180 -31.096 25.804 1.00 1.21 H new ATOM 0 HE2 LYS A 858 9.643 -30.388 28.355 1.00 45.31 H new ATOM 0 HE3 LYS A 858 8.205 -29.479 27.937 1.00 45.31 H new ATOM 0 HZ1 LYS A 858 7.668 -31.392 29.293 1.00 74.30 H new ATOM 0 HZ2 LYS A 858 6.977 -31.558 27.751 1.00 74.30 H new ATOM 0 HZ3 LYS A 858 8.370 -32.440 28.156 1.00 74.30 H new ATOM 1086 N ARG A 859 15.083 -30.710 25.973 1.00 53.21 N ATOM 1087 CA ARG A 859 16.323 -30.145 26.476 1.00 4.00 C ATOM 1088 C ARG A 859 16.476 -28.697 26.006 1.00 65.00 C ATOM 1089 O ARG A 859 17.556 -28.117 26.112 1.00 20.10 O ATOM 1090 CB ARG A 859 17.530 -30.958 26.003 1.00 2.21 C ATOM 1091 CG ARG A 859 17.522 -32.359 26.618 1.00 45.04 C ATOM 1092 CD ARG A 859 18.658 -33.213 26.050 1.00 1.10 C ATOM 1093 NE ARG A 859 19.925 -32.897 26.746 1.00 23.22 N ATOM 1094 CZ ARG A 859 20.999 -33.715 26.771 1.00 21.15 C ATOM 1095 NH1 ARG A 859 20.968 -34.907 26.138 1.00 14.13 N ATOM 1096 NH2 ARG A 859 22.080 -33.332 27.425 1.00 42.13 N ATOM 0 H ARG A 859 15.096 -30.953 24.982 1.00 53.21 H new ATOM 0 HA ARG A 859 16.283 -30.175 27.565 1.00 4.00 H new ATOM 0 HB2 ARG A 859 17.518 -31.034 24.916 1.00 2.21 H new ATOM 0 HB3 ARG A 859 18.450 -30.442 26.277 1.00 2.21 H new ATOM 0 HG2 ARG A 859 17.624 -32.285 27.701 1.00 45.04 H new ATOM 0 HG3 ARG A 859 16.565 -32.842 26.420 1.00 45.04 H new ATOM 0 HD2 ARG A 859 18.423 -34.271 26.168 1.00 1.10 H new ATOM 0 HD3 ARG A 859 18.764 -33.027 24.981 1.00 1.10 H new ATOM 0 HE ARG A 859 19.991 -32.006 27.238 1.00 23.22 H new ATOM 0 HH11 ARG A 859 20.129 -35.196 25.636 1.00 14.13 H new ATOM 0 HH12 ARG A 859 21.784 -35.519 26.162 1.00 14.13 H new ATOM 0 HH21 ARG A 859 22.095 -32.430 27.901 1.00 42.13 H new ATOM 0 HH22 ARG A 859 22.900 -33.938 27.454 1.00 42.13 H new ATOM 1109 N ALA A 860 15.380 -28.155 25.496 1.00 2.24 N ATOM 1110 CA ALA A 860 15.379 -26.786 25.010 1.00 41.32 C ATOM 1111 C ALA A 860 13.950 -26.380 24.645 1.00 14.35 C ATOM 1112 O ALA A 860 13.153 -27.215 24.221 1.00 54.34 O ATOM 1113 CB ALA A 860 16.340 -26.664 23.825 1.00 33.02 C ATOM 0 H ALA A 860 14.487 -28.639 25.409 1.00 2.24 H new ATOM 0 HA ALA A 860 15.728 -26.104 25.785 1.00 41.32 H new ATOM 0 HB1 ALA A 860 16.339 -25.637 23.460 1.00 33.02 H new ATOM 0 HB2 ALA A 860 17.347 -26.935 24.143 1.00 33.02 H new ATOM 0 HB3 ALA A 860 16.019 -27.333 23.026 1.00 33.02 H new ATOM 1119 N LYS A 861 13.669 -25.097 24.825 1.00 32.41 N ATOM 1120 CA LYS A 861 12.349 -24.571 24.521 1.00 43.54 C ATOM 1121 C LYS A 861 12.419 -23.745 23.234 1.00 31.13 C ATOM 1122 O LYS A 861 13.327 -22.933 23.062 1.00 55.10 O ATOM 1123 CB LYS A 861 11.791 -23.798 25.718 1.00 45.03 C ATOM 1124 CG LYS A 861 11.406 -24.749 26.853 1.00 44.03 C ATOM 1125 CD LYS A 861 12.630 -25.128 27.689 1.00 21.23 C ATOM 1126 CE LYS A 861 12.231 -26.002 28.880 1.00 13.21 C ATOM 1127 NZ LYS A 861 11.571 -25.185 29.924 1.00 65.32 N ATOM 0 H LYS A 861 14.333 -24.407 25.177 1.00 32.41 H new ATOM 0 HA LYS A 861 11.646 -25.385 24.341 1.00 43.54 H new ATOM 0 HB2 LYS A 861 12.534 -23.084 26.073 1.00 45.03 H new ATOM 0 HB3 LYS A 861 10.918 -23.222 25.409 1.00 45.03 H new ATOM 0 HG2 LYS A 861 10.658 -24.277 27.490 1.00 44.03 H new ATOM 0 HG3 LYS A 861 10.951 -25.649 26.440 1.00 44.03 H new ATOM 0 HD2 LYS A 861 13.349 -25.661 27.067 1.00 21.23 H new ATOM 0 HD3 LYS A 861 13.125 -24.225 28.046 1.00 21.23 H new ATOM 0 HE2 LYS A 861 11.558 -26.793 28.549 1.00 13.21 H new ATOM 0 HE3 LYS A 861 13.114 -26.488 29.294 1.00 13.21 H new ATOM 0 HZ1 LYS A 861 11.429 -25.762 30.778 1.00 65.32 H new ATOM 0 HZ2 LYS A 861 12.170 -24.367 30.155 1.00 65.32 H new ATOM 0 HZ3 LYS A 861 10.650 -24.852 29.574 1.00 65.32 H new ATOM 1140 N ILE A 862 11.448 -23.981 22.364 1.00 23.50 N ATOM 1141 CA ILE A 862 11.388 -23.270 21.099 1.00 50.14 C ATOM 1142 C ILE A 862 10.272 -22.225 21.159 1.00 72.25 C ATOM 1143 O ILE A 862 9.272 -22.418 21.849 1.00 24.21 O ATOM 1144 CB ILE A 862 11.247 -24.255 19.936 1.00 14.13 C ATOM 1145 CG1 ILE A 862 9.792 -24.697 19.766 1.00 54.42 C ATOM 1146 CG2 ILE A 862 12.191 -25.446 20.109 1.00 32.34 C ATOM 1147 CD1 ILE A 862 9.050 -23.778 18.792 1.00 64.40 C ATOM 0 H ILE A 862 10.696 -24.655 22.511 1.00 23.50 H new ATOM 0 HA ILE A 862 12.319 -22.733 20.920 1.00 50.14 H new ATOM 0 HB ILE A 862 11.538 -23.744 19.018 1.00 14.13 H new ATOM 0 HG12 ILE A 862 9.760 -25.723 19.399 1.00 54.42 H new ATOM 0 HG13 ILE A 862 9.290 -24.689 20.734 1.00 54.42 H new ATOM 0 HG21 ILE A 862 12.071 -26.131 19.269 1.00 32.34 H new ATOM 0 HG22 ILE A 862 13.221 -25.092 20.144 1.00 32.34 H new ATOM 0 HG23 ILE A 862 11.955 -25.966 21.037 1.00 32.34 H new ATOM 0 HD11 ILE A 862 8.018 -24.114 18.689 1.00 64.40 H new ATOM 0 HD12 ILE A 862 9.063 -22.757 19.174 1.00 64.40 H new ATOM 0 HD13 ILE A 862 9.540 -23.808 17.819 1.00 64.40 H new ATOM 1159 N PHE A 863 10.480 -21.141 20.426 1.00 73.12 N ATOM 1160 CA PHE A 863 9.504 -20.066 20.387 1.00 55.51 C ATOM 1161 C PHE A 863 9.460 -19.414 19.003 1.00 32.40 C ATOM 1162 O PHE A 863 10.224 -19.787 18.114 1.00 54.54 O ATOM 1163 CB PHE A 863 9.946 -19.022 21.415 1.00 64.24 C ATOM 1164 CG PHE A 863 10.040 -19.558 22.845 1.00 63.24 C ATOM 1165 CD1 PHE A 863 11.072 -20.369 23.201 1.00 44.04 C ATOM 1166 CD2 PHE A 863 9.091 -19.224 23.760 1.00 44.42 C ATOM 1167 CE1 PHE A 863 11.160 -20.866 24.528 1.00 74.32 C ATOM 1168 CE2 PHE A 863 9.179 -19.721 25.087 1.00 54.11 C ATOM 1169 CZ PHE A 863 10.211 -20.532 25.443 1.00 52.30 C ATOM 0 H PHE A 863 11.310 -20.984 19.855 1.00 73.12 H new ATOM 0 HA PHE A 863 8.511 -20.458 20.606 1.00 55.51 H new ATOM 0 HB2 PHE A 863 10.918 -18.627 21.121 1.00 64.24 H new ATOM 0 HB3 PHE A 863 9.244 -18.188 21.396 1.00 64.24 H new ATOM 0 HD1 PHE A 863 11.825 -20.635 22.474 1.00 44.04 H new ATOM 0 HD2 PHE A 863 8.271 -18.581 23.477 1.00 44.42 H new ATOM 0 HE1 PHE A 863 11.980 -21.509 24.811 1.00 74.32 H new ATOM 0 HE2 PHE A 863 8.426 -19.455 25.814 1.00 54.11 H new ATOM 0 HZ PHE A 863 10.277 -20.911 26.452 1.00 52.30 H new ATOM 1179 N CYS A 864 8.558 -18.453 18.865 1.00 62.55 N ATOM 1180 CA CYS A 864 8.405 -17.747 17.604 1.00 31.10 C ATOM 1181 C CYS A 864 9.592 -16.797 17.438 1.00 4.13 C ATOM 1182 O CYS A 864 10.070 -16.219 18.413 1.00 24.14 O ATOM 1183 CB CYS A 864 7.067 -17.008 17.529 1.00 5.30 C ATOM 1184 SG CYS A 864 6.680 -16.589 15.790 1.00 24.31 S ATOM 0 H CYS A 864 7.926 -18.147 19.605 1.00 62.55 H new ATOM 0 HA CYS A 864 8.397 -18.463 16.782 1.00 31.10 H new ATOM 0 HB2 CYS A 864 6.275 -17.629 17.947 1.00 5.30 H new ATOM 0 HB3 CYS A 864 7.110 -16.100 18.130 1.00 5.30 H new ATOM 0 HG CYS A 864 6.127 -17.612 15.210 1.00 24.31 H new ATOM 1190 N ALA A 865 10.035 -16.664 16.196 1.00 34.44 N ATOM 1191 CA ALA A 865 11.157 -15.794 15.891 1.00 62.15 C ATOM 1192 C ALA A 865 10.643 -14.376 15.636 1.00 52.22 C ATOM 1193 O ALA A 865 11.398 -13.410 15.737 1.00 61.31 O ATOM 1194 CB ALA A 865 11.929 -16.358 14.696 1.00 45.51 C ATOM 0 H ALA A 865 9.637 -17.145 15.389 1.00 34.44 H new ATOM 0 HA ALA A 865 11.847 -15.748 16.733 1.00 62.15 H new ATOM 0 HB1 ALA A 865 12.771 -15.706 14.466 1.00 45.51 H new ATOM 0 HB2 ALA A 865 12.298 -17.355 14.939 1.00 45.51 H new ATOM 0 HB3 ALA A 865 11.269 -16.416 13.831 1.00 45.51 H new ATOM 1200 N ARG A 866 9.361 -14.295 15.310 1.00 21.13 N ATOM 1201 CA ARG A 866 8.737 -13.011 15.040 1.00 31.04 C ATOM 1202 C ARG A 866 8.823 -12.109 16.273 1.00 30.34 C ATOM 1203 O ARG A 866 9.398 -12.495 17.290 1.00 32.21 O ATOM 1204 CB ARG A 866 7.269 -13.184 14.645 1.00 20.43 C ATOM 1205 CG ARG A 866 7.137 -14.062 13.399 1.00 34.42 C ATOM 1206 CD ARG A 866 7.368 -13.246 12.126 1.00 4.12 C ATOM 1207 NE ARG A 866 8.806 -13.254 11.774 1.00 32.42 N ATOM 1208 CZ ARG A 866 9.299 -12.821 10.594 1.00 33.43 C ATOM 1209 NH1 ARG A 866 8.472 -12.341 9.641 1.00 0.03 N ATOM 1210 NH2 ARG A 866 10.601 -12.875 10.386 1.00 22.04 N ATOM 0 H ARG A 866 8.738 -15.098 15.227 1.00 21.13 H new ATOM 0 HA ARG A 866 9.273 -12.550 14.210 1.00 31.04 H new ATOM 0 HB2 ARG A 866 6.717 -13.633 15.471 1.00 20.43 H new ATOM 0 HB3 ARG A 866 6.822 -12.208 14.456 1.00 20.43 H new ATOM 0 HG2 ARG A 866 7.857 -14.879 13.447 1.00 34.42 H new ATOM 0 HG3 ARG A 866 6.145 -14.513 13.371 1.00 34.42 H new ATOM 0 HD2 ARG A 866 6.782 -13.662 11.306 1.00 4.12 H new ATOM 0 HD3 ARG A 866 7.027 -12.221 12.274 1.00 4.12 H new ATOM 0 HE ARG A 866 9.466 -13.609 12.466 1.00 32.42 H new ATOM 0 HH11 ARG A 866 7.467 -12.303 9.810 1.00 0.03 H new ATOM 0 HH12 ARG A 866 8.852 -12.016 8.752 1.00 0.03 H new ATOM 0 HH21 ARG A 866 11.219 -13.240 11.111 1.00 22.04 H new ATOM 0 HH22 ARG A 866 10.990 -12.552 9.500 1.00 22.04 H new ATOM 1223 N GLN A 867 8.243 -10.925 16.143 1.00 61.22 N ATOM 1224 CA GLN A 867 8.247 -9.966 17.234 1.00 41.52 C ATOM 1225 C GLN A 867 7.911 -10.662 18.554 1.00 1.43 C ATOM 1226 O GLN A 867 8.341 -10.221 19.619 1.00 11.12 O ATOM 1227 CB GLN A 867 7.275 -8.817 16.957 1.00 44.40 C ATOM 1228 CG GLN A 867 7.880 -7.812 15.975 1.00 43.43 C ATOM 1229 CD GLN A 867 7.782 -8.324 14.536 1.00 3.23 C ATOM 1230 OE1 GLN A 867 6.923 -9.118 14.190 1.00 41.11 O ATOM 1231 NE2 GLN A 867 8.708 -7.827 13.721 1.00 53.43 N ATOM 0 H GLN A 867 7.767 -10.608 15.298 1.00 61.22 H new ATOM 0 HA GLN A 867 9.247 -9.541 17.315 1.00 41.52 H new ATOM 0 HB2 GLN A 867 6.344 -9.213 16.550 1.00 44.40 H new ATOM 0 HB3 GLN A 867 7.026 -8.313 17.891 1.00 44.40 H new ATOM 0 HG2 GLN A 867 7.362 -6.857 16.061 1.00 43.43 H new ATOM 0 HG3 GLN A 867 8.924 -7.632 16.230 1.00 43.43 H new ATOM 0 HE21 GLN A 867 9.398 -7.166 14.076 1.00 53.43 H new ATOM 0 HE22 GLN A 867 8.728 -8.107 12.740 1.00 53.43 H new ATOM 1240 N ASN A 868 7.146 -11.737 18.441 1.00 21.44 N ATOM 1241 CA ASN A 868 6.748 -12.499 19.613 1.00 14.42 C ATOM 1242 C ASN A 868 7.871 -13.465 19.995 1.00 51.15 C ATOM 1243 O ASN A 868 8.210 -14.363 19.225 1.00 11.14 O ATOM 1244 CB ASN A 868 5.490 -13.323 19.333 1.00 73.13 C ATOM 1245 CG ASN A 868 4.416 -12.471 18.652 1.00 23.42 C ATOM 1246 OD1 ASN A 868 3.931 -11.490 19.192 1.00 62.44 O ATOM 1247 ND2 ASN A 868 4.074 -12.900 17.441 1.00 54.54 N ATOM 0 H ASN A 868 6.791 -12.099 17.556 1.00 21.44 H new ATOM 0 HA ASN A 868 6.546 -11.795 20.420 1.00 14.42 H new ATOM 0 HB2 ASN A 868 5.741 -14.173 18.698 1.00 73.13 H new ATOM 0 HB3 ASN A 868 5.100 -13.727 20.267 1.00 73.13 H new ATOM 0 HD21 ASN A 868 3.365 -12.400 16.904 1.00 54.54 H new ATOM 0 HD22 ASN A 868 4.520 -13.729 17.049 1.00 54.54 H new ATOM 1254 N CYS A 869 8.417 -13.248 21.182 1.00 43.42 N ATOM 1255 CA CYS A 869 9.495 -14.088 21.675 1.00 64.04 C ATOM 1256 C CYS A 869 8.964 -14.911 22.850 1.00 3.31 C ATOM 1257 O CYS A 869 9.184 -16.119 22.916 1.00 20.12 O ATOM 1258 CB CYS A 869 10.723 -13.262 22.064 1.00 22.43 C ATOM 1259 SG CYS A 869 10.231 -11.897 23.179 1.00 22.33 S ATOM 0 H CYS A 869 8.133 -12.502 21.817 1.00 43.42 H new ATOM 0 HA CYS A 869 9.827 -14.760 20.884 1.00 64.04 H new ATOM 0 HB2 CYS A 869 11.458 -13.898 22.557 1.00 22.43 H new ATOM 0 HB3 CYS A 869 11.199 -12.859 21.170 1.00 22.43 H new ATOM 0 HG CYS A 869 9.904 -12.382 24.340 1.00 22.33 H new ATOM 1265 N SER A 870 8.275 -14.223 23.749 1.00 44.01 N ATOM 1266 CA SER A 870 7.711 -14.875 24.919 1.00 42.05 C ATOM 1267 C SER A 870 6.661 -15.902 24.490 1.00 42.14 C ATOM 1268 O SER A 870 6.239 -16.735 25.290 1.00 11.23 O ATOM 1269 CB SER A 870 7.094 -13.853 25.875 1.00 40.41 C ATOM 1270 OG SER A 870 6.077 -14.430 26.690 1.00 42.33 O ATOM 0 H SER A 870 8.095 -13.221 23.691 1.00 44.01 H new ATOM 0 HA SER A 870 8.516 -15.386 25.447 1.00 42.05 H new ATOM 0 HB2 SER A 870 7.874 -13.434 26.511 1.00 40.41 H new ATOM 0 HB3 SER A 870 6.674 -13.027 25.301 1.00 40.41 H new ATOM 0 HG SER A 870 5.709 -13.746 27.287 1.00 42.33 H new ATOM 1276 N HIS A 871 6.270 -15.809 23.227 1.00 0.22 N ATOM 1277 CA HIS A 871 5.277 -16.719 22.682 1.00 24.42 C ATOM 1278 C HIS A 871 5.963 -18.005 22.214 1.00 54.32 C ATOM 1279 O HIS A 871 6.744 -17.985 21.264 1.00 30.41 O ATOM 1280 CB HIS A 871 4.468 -16.041 21.575 1.00 62.41 C ATOM 1281 CG HIS A 871 3.591 -14.912 22.059 1.00 13.23 C ATOM 1282 ND1 HIS A 871 3.014 -13.878 21.382 1.00 34.12 N flip ATOM 1283 CD2 HIS A 871 3.223 -14.764 23.385 1.00 74.11 C flip ATOM 1284 CE1 HIS A 871 2.329 -13.140 22.247 1.00 32.45 C flip ATOM 1285 NE2 HIS A 871 2.458 -13.687 23.489 1.00 50.02 N flip ATOM 0 H HIS A 871 6.623 -15.117 22.566 1.00 0.22 H new ATOM 0 HA HIS A 871 4.562 -16.991 23.458 1.00 24.42 H new ATOM 0 HB2 HIS A 871 5.155 -15.656 20.821 1.00 62.41 H new ATOM 0 HB3 HIS A 871 3.843 -16.788 21.086 1.00 62.41 H new ATOM 0 HD2 HIS A 871 3.510 -15.416 24.197 1.00 74.11 H new ATOM 0 HE1 HIS A 871 1.763 -12.252 22.006 1.00 32.45 H new ATOM 0 HE2 HIS A 871 2.039 -13.330 24.348 1.00 50.02 H new ATOM 1293 N ASP A 872 5.645 -19.091 22.902 1.00 34.30 N ATOM 1294 CA ASP A 872 6.220 -20.383 22.569 1.00 74.45 C ATOM 1295 C ASP A 872 5.246 -21.155 21.676 1.00 73.03 C ATOM 1296 O ASP A 872 4.048 -21.203 21.953 1.00 4.13 O ATOM 1297 CB ASP A 872 6.469 -21.217 23.827 1.00 13.31 C ATOM 1298 CG ASP A 872 5.242 -21.954 24.368 1.00 61.55 C ATOM 1299 OD1 ASP A 872 4.208 -21.340 24.669 1.00 44.51 O ATOM 1300 OD2 ASP A 872 5.379 -23.233 24.477 1.00 51.43 O ATOM 0 H ASP A 872 4.996 -19.103 23.689 1.00 34.30 H new ATOM 0 HA ASP A 872 7.167 -20.208 22.059 1.00 74.45 H new ATOM 0 HB2 ASP A 872 7.248 -21.949 23.611 1.00 13.31 H new ATOM 0 HB3 ASP A 872 6.855 -20.562 24.608 1.00 13.31 H new ATOM 1306 N TRP A 873 5.796 -21.740 20.622 1.00 53.23 N ATOM 1307 CA TRP A 873 4.991 -22.507 19.686 1.00 14.14 C ATOM 1308 C TRP A 873 4.931 -23.951 20.188 1.00 64.35 C ATOM 1309 O TRP A 873 3.876 -24.581 20.153 1.00 74.54 O ATOM 1310 CB TRP A 873 5.542 -22.390 18.264 1.00 12.31 C ATOM 1311 CG TRP A 873 5.218 -21.061 17.579 1.00 44.51 C ATOM 1312 CD1 TRP A 873 4.702 -19.953 18.129 1.00 40.02 C ATOM 1313 CD2 TRP A 873 5.412 -20.743 16.184 1.00 0.55 C ATOM 1314 NE1 TRP A 873 4.549 -18.948 17.195 1.00 62.52 N ATOM 1315 CE2 TRP A 873 4.995 -19.444 15.975 1.00 51.10 C ATOM 1316 CE3 TRP A 873 5.923 -21.526 15.135 1.00 21.30 C ATOM 1317 CZ2 TRP A 873 5.046 -18.815 14.725 1.00 15.44 C ATOM 1318 CZ3 TRP A 873 5.967 -20.883 13.892 1.00 1.24 C ATOM 1319 CH2 TRP A 873 5.551 -19.576 13.665 1.00 71.20 C ATOM 0 H TRP A 873 6.790 -21.698 20.395 1.00 53.23 H new ATOM 0 HA TRP A 873 3.976 -22.113 19.637 1.00 14.14 H new ATOM 0 HB2 TRP A 873 6.624 -22.518 18.293 1.00 12.31 H new ATOM 0 HB3 TRP A 873 5.141 -23.205 17.662 1.00 12.31 H new ATOM 0 HD1 TRP A 873 4.439 -19.858 19.172 1.00 40.02 H new ATOM 0 HE1 TRP A 873 4.177 -18.014 17.368 1.00 62.52 H new ATOM 0 HE3 TRP A 873 6.256 -22.544 15.276 1.00 21.30 H new ATOM 0 HZ2 TRP A 873 4.713 -17.797 14.586 1.00 15.44 H new ATOM 0 HZ3 TRP A 873 6.351 -21.441 13.051 1.00 1.24 H new ATOM 0 HH2 TRP A 873 5.617 -19.150 12.675 1.00 71.20 H new ATOM 1330 N GLY A 874 6.079 -24.434 20.642 1.00 15.32 N ATOM 1331 CA GLY A 874 6.171 -25.792 21.150 1.00 75.12 C ATOM 1332 C GLY A 874 7.419 -25.971 22.015 1.00 5.44 C ATOM 1333 O GLY A 874 7.745 -25.106 22.827 1.00 2.12 O ATOM 0 H GLY A 874 6.953 -23.909 20.668 1.00 15.32 H new ATOM 0 HA2 GLY A 874 5.282 -26.026 21.736 1.00 75.12 H new ATOM 0 HA3 GLY A 874 6.198 -26.494 20.317 1.00 75.12 H new ATOM 1337 N ILE A 875 8.085 -27.098 21.813 1.00 72.25 N ATOM 1338 CA ILE A 875 9.291 -27.401 22.564 1.00 32.33 C ATOM 1339 C ILE A 875 10.318 -28.049 21.633 1.00 35.55 C ATOM 1340 O ILE A 875 10.006 -28.372 20.488 1.00 11.40 O ATOM 1341 CB ILE A 875 8.957 -28.246 23.795 1.00 33.42 C ATOM 1342 CG1 ILE A 875 7.754 -29.153 23.528 1.00 74.14 C ATOM 1343 CG2 ILE A 875 8.746 -27.363 25.026 1.00 11.33 C ATOM 1344 CD1 ILE A 875 8.103 -30.241 22.511 1.00 73.55 C ATOM 0 H ILE A 875 7.812 -27.813 21.139 1.00 72.25 H new ATOM 0 HA ILE A 875 9.741 -26.485 22.947 1.00 32.33 H new ATOM 0 HB ILE A 875 9.808 -28.893 24.005 1.00 33.42 H new ATOM 0 HG12 ILE A 875 7.427 -29.613 24.460 1.00 74.14 H new ATOM 0 HG13 ILE A 875 6.920 -28.557 23.157 1.00 74.14 H new ATOM 0 HG21 ILE A 875 8.510 -27.989 25.887 1.00 11.33 H new ATOM 0 HG22 ILE A 875 9.655 -26.797 25.228 1.00 11.33 H new ATOM 0 HG23 ILE A 875 7.922 -26.673 24.842 1.00 11.33 H new ATOM 0 HD11 ILE A 875 7.231 -30.872 22.339 1.00 73.55 H new ATOM 0 HD12 ILE A 875 8.406 -29.778 21.572 1.00 73.55 H new ATOM 0 HD13 ILE A 875 8.921 -30.850 22.896 1.00 73.55 H new ATOM 1356 N HIS A 876 11.521 -28.221 22.160 1.00 30.43 N ATOM 1357 CA HIS A 876 12.595 -28.825 21.391 1.00 64.42 C ATOM 1358 C HIS A 876 12.898 -30.221 21.940 1.00 71.13 C ATOM 1359 O HIS A 876 13.302 -30.365 23.093 1.00 55.23 O ATOM 1360 CB HIS A 876 13.826 -27.917 21.370 1.00 2.34 C ATOM 1361 CG HIS A 876 14.638 -28.011 20.100 1.00 12.44 C ATOM 1362 ND1 HIS A 876 15.003 -26.900 19.360 1.00 3.44 N ATOM 1363 CD2 HIS A 876 15.151 -29.093 19.449 1.00 71.34 C ATOM 1364 CE1 HIS A 876 15.704 -27.307 18.312 1.00 34.22 C ATOM 1365 NE2 HIS A 876 15.794 -28.667 18.368 1.00 35.13 N ATOM 0 H HIS A 876 11.776 -27.953 23.111 1.00 30.43 H new ATOM 0 HA HIS A 876 12.283 -28.940 20.353 1.00 64.42 H new ATOM 0 HB2 HIS A 876 13.505 -26.884 21.508 1.00 2.34 H new ATOM 0 HB3 HIS A 876 14.465 -28.169 22.217 1.00 2.34 H new ATOM 0 HD2 HIS A 876 15.051 -30.123 19.760 1.00 71.34 H new ATOM 0 HE1 HIS A 876 16.129 -26.673 17.548 1.00 34.22 H new ATOM 0 HE2 HIS A 876 16.276 -29.259 17.691 1.00 35.13 H new ATOM 1373 N VAL A 877 12.691 -31.215 21.088 1.00 41.52 N ATOM 1374 CA VAL A 877 12.937 -32.594 21.473 1.00 55.02 C ATOM 1375 C VAL A 877 13.519 -33.356 20.281 1.00 41.33 C ATOM 1376 O VAL A 877 13.597 -32.821 19.176 1.00 43.32 O ATOM 1377 CB VAL A 877 11.651 -33.223 22.014 1.00 51.02 C ATOM 1378 CG1 VAL A 877 10.823 -32.197 22.790 1.00 51.22 C ATOM 1379 CG2 VAL A 877 10.830 -33.849 20.885 1.00 70.51 C ATOM 0 H VAL A 877 12.356 -31.092 20.133 1.00 41.52 H new ATOM 0 HA VAL A 877 13.670 -32.641 22.278 1.00 55.02 H new ATOM 0 HB VAL A 877 11.932 -34.018 22.705 1.00 51.02 H new ATOM 0 HG11 VAL A 877 9.915 -32.670 23.163 1.00 51.22 H new ATOM 0 HG12 VAL A 877 11.406 -31.818 23.629 1.00 51.22 H new ATOM 0 HG13 VAL A 877 10.557 -31.371 22.131 1.00 51.22 H new ATOM 0 HG21 VAL A 877 9.922 -34.289 21.296 1.00 70.51 H new ATOM 0 HG22 VAL A 877 10.564 -33.081 20.159 1.00 70.51 H new ATOM 0 HG23 VAL A 877 11.418 -34.624 20.394 1.00 70.51 H new ATOM 1389 N LYS A 878 13.913 -34.593 20.545 1.00 50.20 N ATOM 1390 CA LYS A 878 14.486 -35.434 19.508 1.00 40.54 C ATOM 1391 C LYS A 878 13.621 -36.683 19.334 1.00 34.31 C ATOM 1392 O LYS A 878 13.202 -37.294 20.316 1.00 24.32 O ATOM 1393 CB LYS A 878 15.953 -35.739 19.816 1.00 62.45 C ATOM 1394 CG LYS A 878 16.653 -36.351 18.600 1.00 75.20 C ATOM 1395 CD LYS A 878 17.685 -37.396 19.029 1.00 11.44 C ATOM 1396 CE LYS A 878 18.911 -37.363 18.115 1.00 71.13 C ATOM 1397 NZ LYS A 878 19.846 -38.457 18.462 1.00 12.51 N ATOM 0 H LYS A 878 13.847 -35.033 21.463 1.00 50.20 H new ATOM 0 HA LYS A 878 14.487 -34.912 18.551 1.00 40.54 H new ATOM 0 HB2 LYS A 878 16.464 -34.823 20.112 1.00 62.45 H new ATOM 0 HB3 LYS A 878 16.016 -36.426 20.660 1.00 62.45 H new ATOM 0 HG2 LYS A 878 15.914 -36.812 17.945 1.00 75.20 H new ATOM 0 HG3 LYS A 878 17.143 -35.566 18.025 1.00 75.20 H new ATOM 0 HD2 LYS A 878 17.990 -37.210 20.059 1.00 11.44 H new ATOM 0 HD3 LYS A 878 17.235 -38.388 19.004 1.00 11.44 H new ATOM 0 HE2 LYS A 878 18.599 -37.459 17.075 1.00 71.13 H new ATOM 0 HE3 LYS A 878 19.416 -36.402 18.209 1.00 71.13 H new ATOM 0 HZ1 LYS A 878 20.673 -38.420 17.832 1.00 12.51 H new ATOM 0 HZ2 LYS A 878 20.157 -38.348 19.448 1.00 12.51 H new ATOM 0 HZ3 LYS A 878 19.366 -39.373 18.350 1.00 12.51 H new ATOM 1410 N TYR A 879 13.378 -37.026 18.078 1.00 73.04 N ATOM 1411 CA TYR A 879 12.570 -38.192 17.763 1.00 53.13 C ATOM 1412 C TYR A 879 12.990 -38.805 16.426 1.00 70.54 C ATOM 1413 O TYR A 879 13.394 -38.090 15.510 1.00 72.31 O ATOM 1414 CB TYR A 879 11.129 -37.688 17.649 1.00 64.51 C ATOM 1415 CG TYR A 879 10.077 -38.798 17.697 1.00 11.32 C ATOM 1416 CD1 TYR A 879 9.713 -39.454 16.539 1.00 34.41 C ATOM 1417 CD2 TYR A 879 9.492 -39.142 18.899 1.00 54.13 C ATOM 1418 CE1 TYR A 879 8.722 -40.498 16.585 1.00 71.45 C ATOM 1419 CE2 TYR A 879 8.501 -40.186 18.944 1.00 11.01 C ATOM 1420 CZ TYR A 879 8.165 -40.813 17.785 1.00 40.22 C ATOM 1421 OH TYR A 879 7.229 -41.799 17.828 1.00 44.23 O ATOM 0 H TYR A 879 13.727 -36.517 17.266 1.00 73.04 H new ATOM 0 HA TYR A 879 12.686 -38.958 18.530 1.00 53.13 H new ATOM 0 HB2 TYR A 879 10.936 -36.983 18.458 1.00 64.51 H new ATOM 0 HB3 TYR A 879 11.020 -37.138 16.714 1.00 64.51 H new ATOM 0 HD1 TYR A 879 10.171 -39.185 15.599 1.00 34.41 H new ATOM 0 HD2 TYR A 879 9.777 -38.628 19.805 1.00 54.13 H new ATOM 0 HE1 TYR A 879 8.428 -41.019 15.686 1.00 71.45 H new ATOM 0 HE2 TYR A 879 8.035 -40.465 19.878 1.00 11.01 H new ATOM 0 HH TYR A 879 6.920 -41.916 18.750 1.00 44.23 H new ATOM 1431 N LYS A 880 12.881 -40.124 16.356 1.00 74.05 N ATOM 1432 CA LYS A 880 13.244 -40.842 15.146 1.00 42.13 C ATOM 1433 C LYS A 880 14.670 -40.463 14.742 1.00 5.21 C ATOM 1434 O LYS A 880 14.933 -40.170 13.576 1.00 35.05 O ATOM 1435 CB LYS A 880 12.209 -40.598 14.046 1.00 34.12 C ATOM 1436 CG LYS A 880 10.925 -41.386 14.317 1.00 2.25 C ATOM 1437 CD LYS A 880 11.114 -42.869 13.994 1.00 32.43 C ATOM 1438 CE LYS A 880 9.919 -43.692 14.480 1.00 72.44 C ATOM 1439 NZ LYS A 880 10.100 -45.121 14.136 1.00 15.32 N ATOM 0 H LYS A 880 12.546 -40.714 17.118 1.00 74.05 H new ATOM 0 HA LYS A 880 13.237 -41.917 15.325 1.00 42.13 H new ATOM 0 HB2 LYS A 880 11.981 -39.534 13.986 1.00 34.12 H new ATOM 0 HB3 LYS A 880 12.623 -40.891 13.081 1.00 34.12 H new ATOM 0 HG2 LYS A 880 10.637 -41.271 15.362 1.00 2.25 H new ATOM 0 HG3 LYS A 880 10.111 -40.980 13.716 1.00 2.25 H new ATOM 0 HD2 LYS A 880 11.236 -42.998 12.919 1.00 32.43 H new ATOM 0 HD3 LYS A 880 12.027 -43.234 14.464 1.00 32.43 H new ATOM 0 HE2 LYS A 880 9.809 -43.583 15.559 1.00 72.44 H new ATOM 0 HE3 LYS A 880 9.002 -43.316 14.026 1.00 72.44 H new ATOM 0 HZ1 LYS A 880 9.280 -45.666 14.473 1.00 15.32 H new ATOM 0 HZ2 LYS A 880 10.183 -45.222 13.104 1.00 15.32 H new ATOM 0 HZ3 LYS A 880 10.964 -45.480 14.589 1.00 15.32 H new ATOM 1452 N THR A 881 15.555 -40.480 15.728 1.00 31.44 N ATOM 1453 CA THR A 881 16.948 -40.142 15.491 1.00 71.03 C ATOM 1454 C THR A 881 17.054 -38.809 14.747 1.00 35.04 C ATOM 1455 O THR A 881 18.061 -38.535 14.098 1.00 42.44 O ATOM 1456 CB THR A 881 17.597 -41.308 14.742 1.00 34.23 C ATOM 1457 OG1 THR A 881 18.919 -41.367 15.270 1.00 33.24 O ATOM 1458 CG2 THR A 881 17.802 -41.008 13.256 1.00 21.30 C ATOM 0 H THR A 881 15.334 -40.723 16.694 1.00 31.44 H new ATOM 0 HA THR A 881 17.485 -39.999 16.429 1.00 71.03 H new ATOM 0 HB THR A 881 16.978 -42.198 14.850 1.00 34.23 H new ATOM 0 HG1 THR A 881 19.411 -42.098 14.840 1.00 33.24 H new ATOM 0 HG21 THR A 881 18.265 -41.868 12.772 1.00 21.30 H new ATOM 0 HG22 THR A 881 16.838 -40.805 12.789 1.00 21.30 H new ATOM 0 HG23 THR A 881 18.449 -40.138 13.146 1.00 21.30 H new ATOM 1466 N PHE A 882 15.999 -38.016 14.868 1.00 42.21 N ATOM 1467 CA PHE A 882 15.961 -36.718 14.216 1.00 54.05 C ATOM 1468 C PHE A 882 15.748 -35.598 15.236 1.00 40.44 C ATOM 1469 O PHE A 882 15.030 -35.776 16.218 1.00 3.04 O ATOM 1470 CB PHE A 882 14.777 -36.740 13.246 1.00 44.12 C ATOM 1471 CG PHE A 882 14.788 -37.925 12.278 1.00 33.12 C ATOM 1472 CD1 PHE A 882 15.955 -38.327 11.708 1.00 21.20 C ATOM 1473 CD2 PHE A 882 13.630 -38.576 11.988 1.00 35.44 C ATOM 1474 CE1 PHE A 882 15.965 -39.427 10.810 1.00 33.10 C ATOM 1475 CE2 PHE A 882 13.639 -39.676 11.090 1.00 21.33 C ATOM 1476 CZ PHE A 882 14.807 -40.078 10.520 1.00 35.41 C ATOM 0 H PHE A 882 15.165 -38.247 15.407 1.00 42.21 H new ATOM 0 HA PHE A 882 16.905 -36.531 13.703 1.00 54.05 H new ATOM 0 HB2 PHE A 882 13.851 -36.761 13.820 1.00 44.12 H new ATOM 0 HB3 PHE A 882 14.774 -35.814 12.671 1.00 44.12 H new ATOM 0 HD1 PHE A 882 16.875 -37.810 11.938 1.00 21.20 H new ATOM 0 HD2 PHE A 882 12.703 -38.256 12.441 1.00 35.44 H new ATOM 0 HE1 PHE A 882 16.892 -39.746 10.357 1.00 33.10 H new ATOM 0 HE2 PHE A 882 12.719 -40.193 10.860 1.00 21.33 H new ATOM 0 HZ PHE A 882 14.814 -40.915 9.837 1.00 35.41 H new ATOM 1486 N GLU A 883 16.385 -34.467 14.967 1.00 63.41 N ATOM 1487 CA GLU A 883 16.275 -33.318 15.849 1.00 30.11 C ATOM 1488 C GLU A 883 15.384 -32.247 15.217 1.00 73.21 C ATOM 1489 O GLU A 883 15.777 -31.600 14.248 1.00 61.24 O ATOM 1490 CB GLU A 883 17.656 -32.752 16.188 1.00 74.52 C ATOM 1491 CG GLU A 883 17.603 -31.901 17.458 1.00 31.53 C ATOM 1492 CD GLU A 883 17.784 -32.768 18.706 1.00 11.24 C ATOM 1493 OE1 GLU A 883 18.623 -33.681 18.711 1.00 40.21 O ATOM 1494 OE2 GLU A 883 17.016 -32.464 19.697 1.00 34.01 O ATOM 0 H GLU A 883 16.979 -34.322 14.150 1.00 63.41 H new ATOM 0 HA GLU A 883 15.813 -33.644 16.781 1.00 30.11 H new ATOM 0 HB2 GLU A 883 18.365 -33.569 16.323 1.00 74.52 H new ATOM 0 HB3 GLU A 883 18.020 -32.148 15.356 1.00 74.52 H new ATOM 0 HG2 GLU A 883 18.383 -31.140 17.423 1.00 31.53 H new ATOM 0 HG3 GLU A 883 16.648 -31.377 17.510 1.00 31.53 H new ATOM 1502 N ILE A 884 14.200 -32.093 15.791 1.00 32.44 N ATOM 1503 CA ILE A 884 13.250 -31.112 15.296 1.00 15.02 C ATOM 1504 C ILE A 884 12.243 -30.781 16.400 1.00 40.11 C ATOM 1505 O ILE A 884 11.973 -31.610 17.268 1.00 52.35 O ATOM 1506 CB ILE A 884 12.601 -31.601 13.999 1.00 4.23 C ATOM 1507 CG1 ILE A 884 12.514 -33.128 13.972 1.00 71.13 C ATOM 1508 CG2 ILE A 884 13.336 -31.047 12.777 1.00 55.53 C ATOM 1509 CD1 ILE A 884 11.539 -33.641 15.034 1.00 52.45 C ATOM 0 H ILE A 884 13.877 -32.632 16.595 1.00 32.44 H new ATOM 0 HA ILE A 884 13.760 -30.184 15.040 1.00 15.02 H new ATOM 0 HB ILE A 884 11.581 -31.220 13.962 1.00 4.23 H new ATOM 0 HG12 ILE A 884 12.190 -33.460 12.986 1.00 71.13 H new ATOM 0 HG13 ILE A 884 13.502 -33.555 14.144 1.00 71.13 H new ATOM 0 HG21 ILE A 884 12.855 -31.409 11.868 1.00 55.53 H new ATOM 0 HG22 ILE A 884 13.303 -29.958 12.796 1.00 55.53 H new ATOM 0 HG23 ILE A 884 14.374 -31.379 12.795 1.00 55.53 H new ATOM 0 HD11 ILE A 884 11.496 -34.729 14.993 1.00 52.45 H new ATOM 0 HD12 ILE A 884 11.879 -33.328 16.021 1.00 52.45 H new ATOM 0 HD13 ILE A 884 10.547 -33.231 14.845 1.00 52.45 H new ATOM 1521 N PRO A 885 11.702 -29.535 16.329 1.00 34.32 N ATOM 1522 CA PRO A 885 10.731 -29.084 17.312 1.00 71.32 C ATOM 1523 C PRO A 885 9.365 -29.729 17.069 1.00 31.53 C ATOM 1524 O PRO A 885 8.998 -30.005 15.928 1.00 44.00 O ATOM 1525 CB PRO A 885 10.706 -27.571 17.174 1.00 11.22 C ATOM 1526 CG PRO A 885 11.311 -27.266 15.813 1.00 11.14 C ATOM 1527 CD PRO A 885 11.998 -28.527 15.316 1.00 41.02 C ATOM 0 HA PRO A 885 10.996 -29.374 18.329 1.00 71.32 H new ATOM 0 HB2 PRO A 885 9.687 -27.189 17.243 1.00 11.22 H new ATOM 0 HB3 PRO A 885 11.279 -27.097 17.971 1.00 11.22 H new ATOM 0 HG2 PRO A 885 10.537 -26.952 15.113 1.00 11.14 H new ATOM 0 HG3 PRO A 885 12.025 -26.446 15.888 1.00 11.14 H new ATOM 0 HD2 PRO A 885 11.619 -28.825 14.338 1.00 41.02 H new ATOM 0 HD3 PRO A 885 13.072 -28.377 15.209 1.00 41.02 H new ATOM 1535 N VAL A 886 8.649 -29.952 18.162 1.00 52.43 N ATOM 1536 CA VAL A 886 7.331 -30.559 18.082 1.00 2.01 C ATOM 1537 C VAL A 886 6.264 -29.469 18.196 1.00 50.43 C ATOM 1538 O VAL A 886 6.421 -28.519 18.961 1.00 10.33 O ATOM 1539 CB VAL A 886 7.191 -31.646 19.149 1.00 31.34 C ATOM 1540 CG1 VAL A 886 5.718 -31.934 19.449 1.00 44.21 C ATOM 1541 CG2 VAL A 886 7.925 -32.922 18.732 1.00 71.20 C ATOM 0 H VAL A 886 8.957 -29.723 19.107 1.00 52.43 H new ATOM 0 HA VAL A 886 7.194 -31.048 17.118 1.00 2.01 H new ATOM 0 HB VAL A 886 7.654 -31.278 20.065 1.00 31.34 H new ATOM 0 HG11 VAL A 886 5.647 -32.710 20.211 1.00 44.21 H new ATOM 0 HG12 VAL A 886 5.236 -31.026 19.811 1.00 44.21 H new ATOM 0 HG13 VAL A 886 5.221 -32.271 18.540 1.00 44.21 H new ATOM 0 HG21 VAL A 886 7.809 -33.678 19.508 1.00 71.20 H new ATOM 0 HG22 VAL A 886 7.505 -33.294 17.797 1.00 71.20 H new ATOM 0 HG23 VAL A 886 8.984 -32.704 18.593 1.00 71.20 H new ATOM 1551 N ILE A 887 5.202 -29.642 17.422 1.00 2.44 N ATOM 1552 CA ILE A 887 4.109 -28.684 17.427 1.00 62.14 C ATOM 1553 C ILE A 887 2.779 -29.436 17.503 1.00 52.41 C ATOM 1554 O ILE A 887 2.758 -30.664 17.563 1.00 22.01 O ATOM 1555 CB ILE A 887 4.216 -27.744 16.225 1.00 43.45 C ATOM 1556 CG1 ILE A 887 5.679 -27.511 15.839 1.00 75.23 C ATOM 1557 CG2 ILE A 887 3.477 -26.430 16.489 1.00 63.15 C ATOM 1558 CD1 ILE A 887 6.408 -26.705 16.915 1.00 22.23 C ATOM 0 H ILE A 887 5.075 -30.431 16.788 1.00 2.44 H new ATOM 0 HA ILE A 887 4.166 -28.045 18.308 1.00 62.14 H new ATOM 0 HB ILE A 887 3.730 -28.222 15.374 1.00 43.45 H new ATOM 0 HG12 ILE A 887 6.178 -28.469 15.697 1.00 75.23 H new ATOM 0 HG13 ILE A 887 5.728 -26.982 14.887 1.00 75.23 H new ATOM 0 HG21 ILE A 887 3.569 -25.780 15.619 1.00 63.15 H new ATOM 0 HG22 ILE A 887 2.424 -26.637 16.678 1.00 63.15 H new ATOM 0 HG23 ILE A 887 3.912 -25.936 17.358 1.00 63.15 H new ATOM 0 HD11 ILE A 887 7.445 -26.554 16.616 1.00 22.23 H new ATOM 0 HD12 ILE A 887 5.921 -25.738 17.038 1.00 22.23 H new ATOM 0 HD13 ILE A 887 6.378 -27.248 17.859 1.00 22.23 H new ATOM 1570 N LYS A 888 1.700 -28.666 17.498 1.00 61.41 N ATOM 1571 CA LYS A 888 0.369 -29.244 17.566 1.00 75.12 C ATOM 1572 C LYS A 888 -0.472 -28.715 16.402 1.00 71.30 C ATOM 1573 O LYS A 888 0.044 -28.031 15.519 1.00 31.43 O ATOM 1574 CB LYS A 888 -0.256 -28.992 18.940 1.00 44.32 C ATOM 1575 CG LYS A 888 -0.180 -27.510 19.312 1.00 12.43 C ATOM 1576 CD LYS A 888 -0.613 -27.286 20.763 1.00 65.21 C ATOM 1577 CE LYS A 888 0.008 -26.007 21.329 1.00 31.51 C ATOM 1578 NZ LYS A 888 -0.014 -26.032 22.809 1.00 54.22 N ATOM 0 H LYS A 888 1.721 -27.647 17.448 1.00 61.41 H new ATOM 0 HA LYS A 888 0.419 -30.328 17.458 1.00 75.12 H new ATOM 0 HB2 LYS A 888 -1.296 -29.317 18.936 1.00 44.32 H new ATOM 0 HB3 LYS A 888 0.260 -29.587 19.693 1.00 44.32 H new ATOM 0 HG2 LYS A 888 0.839 -27.148 19.173 1.00 12.43 H new ATOM 0 HG3 LYS A 888 -0.818 -26.931 18.645 1.00 12.43 H new ATOM 0 HD2 LYS A 888 -1.700 -27.221 20.816 1.00 65.21 H new ATOM 0 HD3 LYS A 888 -0.314 -28.140 21.371 1.00 65.21 H new ATOM 0 HE2 LYS A 888 1.034 -25.907 20.976 1.00 31.51 H new ATOM 0 HE3 LYS A 888 -0.540 -25.138 20.966 1.00 31.51 H new ATOM 0 HZ1 LYS A 888 0.411 -25.157 23.177 1.00 54.22 H new ATOM 0 HZ2 LYS A 888 -0.997 -26.106 23.140 1.00 54.22 H new ATOM 0 HZ3 LYS A 888 0.529 -26.851 23.150 1.00 54.22 H new ATOM 1591 N ILE A 889 -1.753 -29.052 16.438 1.00 20.20 N ATOM 1592 CA ILE A 889 -2.670 -28.620 15.397 1.00 11.22 C ATOM 1593 C ILE A 889 -3.188 -27.219 15.729 1.00 2.13 C ATOM 1594 O ILE A 889 -3.386 -26.398 14.835 1.00 74.42 O ATOM 1595 CB ILE A 889 -3.780 -29.654 15.197 1.00 23.13 C ATOM 1596 CG1 ILE A 889 -4.527 -29.410 13.884 1.00 24.14 C ATOM 1597 CG2 ILE A 889 -4.726 -29.682 16.399 1.00 55.31 C ATOM 1598 CD1 ILE A 889 -5.909 -30.064 13.911 1.00 74.44 C ATOM 0 H ILE A 889 -2.177 -29.619 17.172 1.00 20.20 H new ATOM 0 HA ILE A 889 -2.154 -28.551 14.439 1.00 11.22 H new ATOM 0 HB ILE A 889 -3.320 -30.640 15.127 1.00 23.13 H new ATOM 0 HG12 ILE A 889 -4.631 -28.338 13.714 1.00 24.14 H new ATOM 0 HG13 ILE A 889 -3.948 -29.810 13.052 1.00 24.14 H new ATOM 0 HG21 ILE A 889 -5.506 -30.425 16.231 1.00 55.31 H new ATOM 0 HG22 ILE A 889 -4.165 -29.941 17.297 1.00 55.31 H new ATOM 0 HG23 ILE A 889 -5.182 -28.700 16.526 1.00 55.31 H new ATOM 0 HD11 ILE A 889 -6.419 -29.876 12.966 1.00 74.44 H new ATOM 0 HD12 ILE A 889 -5.800 -31.139 14.057 1.00 74.44 H new ATOM 0 HD13 ILE A 889 -6.494 -29.644 14.729 1.00 74.44 H new ATOM 1610 N GLU A 890 -3.391 -26.988 17.018 1.00 34.20 N ATOM 1611 CA GLU A 890 -3.882 -25.701 17.479 1.00 12.34 C ATOM 1612 C GLU A 890 -2.711 -24.766 17.789 1.00 30.20 C ATOM 1613 O GLU A 890 -2.784 -23.959 18.715 1.00 60.44 O ATOM 1614 CB GLU A 890 -4.790 -25.865 18.700 1.00 22.30 C ATOM 1615 CG GLU A 890 -3.994 -26.348 19.914 1.00 23.41 C ATOM 1616 CD GLU A 890 -4.927 -26.728 21.066 1.00 43.51 C ATOM 1617 OE1 GLU A 890 -5.166 -25.908 21.965 1.00 21.14 O ATOM 1618 OE2 GLU A 890 -5.411 -27.921 21.005 1.00 73.53 O ATOM 0 H GLU A 890 -3.224 -27.671 17.757 1.00 34.20 H new ATOM 0 HA GLU A 890 -4.477 -25.255 16.682 1.00 12.34 H new ATOM 0 HB2 GLU A 890 -5.271 -24.914 18.931 1.00 22.30 H new ATOM 0 HB3 GLU A 890 -5.584 -26.577 18.474 1.00 22.30 H new ATOM 0 HG2 GLU A 890 -3.385 -27.208 19.635 1.00 23.41 H new ATOM 0 HG3 GLU A 890 -3.309 -25.565 20.239 1.00 23.41 H new ATOM 1626 N SER A 891 -1.658 -24.906 16.997 1.00 73.22 N ATOM 1627 CA SER A 891 -0.473 -24.084 17.175 1.00 72.53 C ATOM 1628 C SER A 891 -0.423 -22.998 16.098 1.00 20.51 C ATOM 1629 O SER A 891 0.060 -21.895 16.346 1.00 25.04 O ATOM 1630 CB SER A 891 0.798 -24.935 17.131 1.00 40.42 C ATOM 1631 OG SER A 891 1.830 -24.394 17.951 1.00 23.13 O ATOM 0 H SER A 891 -1.601 -25.576 16.230 1.00 73.22 H new ATOM 0 HA SER A 891 -0.528 -23.611 18.156 1.00 72.53 H new ATOM 0 HB2 SER A 891 0.568 -25.948 17.459 1.00 40.42 H new ATOM 0 HB3 SER A 891 1.152 -25.006 16.102 1.00 40.42 H new ATOM 0 HG SER A 891 2.192 -25.098 18.529 1.00 23.13 H new ATOM 1637 N PHE A 892 -0.929 -23.349 14.925 1.00 31.30 N ATOM 1638 CA PHE A 892 -0.948 -22.418 13.810 1.00 71.35 C ATOM 1639 C PHE A 892 -2.186 -22.634 12.936 1.00 23.21 C ATOM 1640 O PHE A 892 -2.855 -23.660 13.045 1.00 73.21 O ATOM 1641 CB PHE A 892 0.305 -22.694 12.975 1.00 35.25 C ATOM 1642 CG PHE A 892 0.638 -24.180 12.826 1.00 20.03 C ATOM 1643 CD1 PHE A 892 -0.268 -25.028 12.270 1.00 52.20 C ATOM 1644 CD2 PHE A 892 1.841 -24.653 13.250 1.00 12.21 C ATOM 1645 CE1 PHE A 892 0.041 -26.407 12.131 1.00 4.25 C ATOM 1646 CE2 PHE A 892 2.150 -26.032 13.112 1.00 43.33 C ATOM 1647 CZ PHE A 892 1.244 -26.880 12.555 1.00 2.53 C ATOM 0 H PHE A 892 -1.329 -24.265 14.723 1.00 31.30 H new ATOM 0 HA PHE A 892 -0.972 -21.394 14.181 1.00 71.35 H new ATOM 0 HB2 PHE A 892 0.171 -22.261 11.984 1.00 35.25 H new ATOM 0 HB3 PHE A 892 1.154 -22.186 13.433 1.00 35.25 H new ATOM 0 HD1 PHE A 892 -1.223 -24.652 11.934 1.00 52.20 H new ATOM 0 HD2 PHE A 892 2.561 -23.980 13.691 1.00 12.21 H new ATOM 0 HE1 PHE A 892 -0.679 -27.080 11.689 1.00 4.25 H new ATOM 0 HE2 PHE A 892 3.105 -26.408 13.449 1.00 43.33 H new ATOM 0 HZ PHE A 892 1.480 -27.929 12.449 1.00 2.53 H new ATOM 1657 N VAL A 893 -2.452 -21.650 12.090 1.00 70.55 N ATOM 1658 CA VAL A 893 -3.597 -21.720 11.198 1.00 53.10 C ATOM 1659 C VAL A 893 -3.149 -22.267 9.841 1.00 14.11 C ATOM 1660 O VAL A 893 -1.955 -22.315 9.551 1.00 51.55 O ATOM 1661 CB VAL A 893 -4.267 -20.348 11.098 1.00 4.30 C ATOM 1662 CG1 VAL A 893 -4.175 -19.595 12.427 1.00 73.11 C ATOM 1663 CG2 VAL A 893 -3.662 -19.524 9.959 1.00 60.51 C ATOM 0 H VAL A 893 -1.895 -20.800 12.003 1.00 70.55 H new ATOM 0 HA VAL A 893 -4.347 -22.405 11.593 1.00 53.10 H new ATOM 0 HB VAL A 893 -5.322 -20.506 10.874 1.00 4.30 H new ATOM 0 HG11 VAL A 893 -4.659 -18.623 12.329 1.00 73.11 H new ATOM 0 HG12 VAL A 893 -4.673 -20.171 13.207 1.00 73.11 H new ATOM 0 HG13 VAL A 893 -3.128 -19.454 12.693 1.00 73.11 H new ATOM 0 HG21 VAL A 893 -4.156 -18.554 9.910 1.00 60.51 H new ATOM 0 HG22 VAL A 893 -2.597 -19.380 10.140 1.00 60.51 H new ATOM 0 HG23 VAL A 893 -3.802 -20.051 9.015 1.00 60.51 H new ATOM 1673 N VAL A 894 -4.132 -22.666 9.046 1.00 4.14 N ATOM 1674 CA VAL A 894 -3.854 -23.208 7.727 1.00 4.41 C ATOM 1675 C VAL A 894 -4.560 -22.355 6.671 1.00 3.21 C ATOM 1676 O VAL A 894 -5.783 -22.398 6.549 1.00 21.53 O ATOM 1677 CB VAL A 894 -4.256 -24.683 7.671 1.00 15.45 C ATOM 1678 CG1 VAL A 894 -3.363 -25.459 6.701 1.00 14.35 C ATOM 1679 CG2 VAL A 894 -4.228 -25.312 9.066 1.00 51.41 C ATOM 0 H VAL A 894 -5.121 -22.625 9.290 1.00 4.14 H new ATOM 0 HA VAL A 894 -2.785 -23.169 7.516 1.00 4.41 H new ATOM 0 HB VAL A 894 -5.279 -24.737 7.299 1.00 15.45 H new ATOM 0 HG11 VAL A 894 -3.670 -26.505 6.681 1.00 14.35 H new ATOM 0 HG12 VAL A 894 -3.456 -25.034 5.702 1.00 14.35 H new ATOM 0 HG13 VAL A 894 -2.326 -25.392 7.029 1.00 14.35 H new ATOM 0 HG21 VAL A 894 -4.518 -26.361 8.998 1.00 51.41 H new ATOM 0 HG22 VAL A 894 -3.221 -25.240 9.478 1.00 51.41 H new ATOM 0 HG23 VAL A 894 -4.925 -24.784 9.717 1.00 51.41 H new ATOM 1689 N GLU A 895 -3.759 -21.599 5.935 1.00 63.04 N ATOM 1690 CA GLU A 895 -4.292 -20.737 4.893 1.00 64.40 C ATOM 1691 C GLU A 895 -3.883 -21.258 3.513 1.00 15.23 C ATOM 1692 O GLU A 895 -2.696 -21.354 3.209 1.00 63.23 O ATOM 1693 CB GLU A 895 -3.834 -19.291 5.091 1.00 51.14 C ATOM 1694 CG GLU A 895 -4.788 -18.315 4.399 1.00 42.22 C ATOM 1695 CD GLU A 895 -4.386 -16.865 4.677 1.00 24.12 C ATOM 1696 OE1 GLU A 895 -3.193 -16.576 4.855 1.00 40.32 O ATOM 1697 OE2 GLU A 895 -5.363 -16.024 4.705 1.00 52.21 O ATOM 0 H GLU A 895 -2.745 -21.565 6.039 1.00 63.04 H new ATOM 0 HA GLU A 895 -5.380 -20.751 4.957 1.00 64.40 H new ATOM 0 HB2 GLU A 895 -3.785 -19.064 6.156 1.00 51.14 H new ATOM 0 HB3 GLU A 895 -2.828 -19.166 4.692 1.00 51.14 H new ATOM 0 HG2 GLU A 895 -4.784 -18.498 3.324 1.00 42.22 H new ATOM 0 HG3 GLU A 895 -5.806 -18.487 4.748 1.00 42.22 H new ATOM 1705 N ASP A 896 -4.891 -21.580 2.716 1.00 52.44 N ATOM 1706 CA ASP A 896 -4.652 -22.088 1.375 1.00 11.35 C ATOM 1707 C ASP A 896 -4.205 -20.938 0.471 1.00 40.41 C ATOM 1708 O ASP A 896 -4.721 -19.826 0.573 1.00 14.11 O ATOM 1709 CB ASP A 896 -5.926 -22.690 0.779 1.00 21.15 C ATOM 1710 CG ASP A 896 -5.907 -24.211 0.616 1.00 21.34 C ATOM 1711 OD1 ASP A 896 -6.785 -24.920 1.131 1.00 5.14 O ATOM 1712 OD2 ASP A 896 -4.926 -24.672 -0.083 1.00 61.31 O ATOM 0 H ASP A 896 -5.875 -21.499 2.973 1.00 52.44 H new ATOM 0 HA ASP A 896 -3.884 -22.859 1.438 1.00 11.35 H new ATOM 0 HB2 ASP A 896 -6.770 -22.418 1.413 1.00 21.15 H new ATOM 0 HB3 ASP A 896 -6.102 -22.237 -0.197 1.00 21.15 H new ATOM 1718 N ILE A 897 -3.250 -21.245 -0.394 1.00 44.41 N ATOM 1719 CA ILE A 897 -2.727 -20.250 -1.316 1.00 70.41 C ATOM 1720 C ILE A 897 -3.576 -20.246 -2.589 1.00 43.11 C ATOM 1721 O ILE A 897 -3.373 -19.414 -3.472 1.00 3.42 O ATOM 1722 CB ILE A 897 -1.237 -20.487 -1.571 1.00 51.10 C ATOM 1723 CG1 ILE A 897 -0.569 -21.134 -0.356 1.00 61.13 C ATOM 1724 CG2 ILE A 897 -0.539 -19.190 -1.986 1.00 13.02 C ATOM 1725 CD1 ILE A 897 -0.276 -22.613 -0.615 1.00 32.51 C ATOM 0 H ILE A 897 -2.824 -22.168 -0.476 1.00 44.41 H new ATOM 0 HA ILE A 897 -2.798 -19.253 -0.882 1.00 70.41 H new ATOM 0 HB ILE A 897 -1.139 -21.186 -2.402 1.00 51.10 H new ATOM 0 HG12 ILE A 897 0.359 -20.611 -0.125 1.00 61.13 H new ATOM 0 HG13 ILE A 897 -1.216 -21.035 0.515 1.00 61.13 H new ATOM 0 HG21 ILE A 897 0.519 -19.386 -2.161 1.00 13.02 H new ATOM 0 HG22 ILE A 897 -0.994 -18.809 -2.900 1.00 13.02 H new ATOM 0 HG23 ILE A 897 -0.644 -18.450 -1.192 1.00 13.02 H new ATOM 0 HD11 ILE A 897 0.199 -23.049 0.264 1.00 32.51 H new ATOM 0 HD12 ILE A 897 -1.209 -23.138 -0.822 1.00 32.51 H new ATOM 0 HD13 ILE A 897 0.391 -22.707 -1.472 1.00 32.51 H new ATOM 1737 N ALA A 898 -4.509 -21.185 -2.644 1.00 24.05 N ATOM 1738 CA ALA A 898 -5.389 -21.300 -3.794 1.00 1.22 C ATOM 1739 C ALA A 898 -6.697 -20.560 -3.506 1.00 4.33 C ATOM 1740 O ALA A 898 -7.427 -20.201 -4.428 1.00 34.31 O ATOM 1741 CB ALA A 898 -5.615 -22.778 -4.119 1.00 2.34 C ATOM 0 H ALA A 898 -4.675 -21.874 -1.910 1.00 24.05 H new ATOM 0 HA ALA A 898 -4.935 -20.839 -4.671 1.00 1.22 H new ATOM 0 HB1 ALA A 898 -6.275 -22.864 -4.982 1.00 2.34 H new ATOM 0 HB2 ALA A 898 -4.659 -23.251 -4.345 1.00 2.34 H new ATOM 0 HB3 ALA A 898 -6.072 -23.273 -3.262 1.00 2.34 H new ATOM 1747 N THR A 899 -6.952 -20.353 -2.222 1.00 43.42 N ATOM 1748 CA THR A 899 -8.159 -19.662 -1.801 1.00 4.30 C ATOM 1749 C THR A 899 -7.809 -18.488 -0.884 1.00 44.24 C ATOM 1750 O THR A 899 -8.348 -17.393 -1.038 1.00 72.21 O ATOM 1751 CB THR A 899 -9.087 -20.687 -1.147 1.00 62.33 C ATOM 1752 OG1 THR A 899 -8.636 -20.753 0.203 1.00 42.12 O ATOM 1753 CG2 THR A 899 -8.865 -22.103 -1.683 1.00 72.14 C ATOM 0 H THR A 899 -6.343 -20.652 -1.460 1.00 43.42 H new ATOM 0 HA THR A 899 -8.682 -19.225 -2.652 1.00 4.30 H new ATOM 0 HB THR A 899 -10.124 -20.394 -1.312 1.00 62.33 H new ATOM 0 HG1 THR A 899 -9.205 -21.370 0.708 1.00 42.12 H new ATOM 0 HG21 THR A 899 -9.549 -22.791 -1.186 1.00 72.14 H new ATOM 0 HG22 THR A 899 -9.051 -22.119 -2.757 1.00 72.14 H new ATOM 0 HG23 THR A 899 -7.837 -22.409 -1.488 1.00 72.14 H new ATOM 1761 N GLY A 900 -6.907 -18.756 0.049 1.00 13.31 N ATOM 1762 CA GLY A 900 -6.479 -17.735 0.991 1.00 61.24 C ATOM 1763 C GLY A 900 -7.312 -17.788 2.273 1.00 24.11 C ATOM 1764 O GLY A 900 -7.312 -16.840 3.057 1.00 64.21 O ATOM 0 H GLY A 900 -6.461 -19.665 0.173 1.00 13.31 H new ATOM 0 HA2 GLY A 900 -5.425 -17.876 1.232 1.00 61.24 H new ATOM 0 HA3 GLY A 900 -6.572 -16.750 0.533 1.00 61.24 H new ATOM 1768 N VAL A 901 -8.001 -18.906 2.447 1.00 13.22 N ATOM 1769 CA VAL A 901 -8.836 -19.095 3.621 1.00 14.32 C ATOM 1770 C VAL A 901 -8.006 -19.735 4.735 1.00 4.11 C ATOM 1771 O VAL A 901 -7.528 -20.859 4.590 1.00 5.11 O ATOM 1772 CB VAL A 901 -10.077 -19.913 3.255 1.00 44.40 C ATOM 1773 CG1 VAL A 901 -11.134 -19.829 4.358 1.00 64.20 C ATOM 1774 CG2 VAL A 901 -10.651 -19.464 1.910 1.00 73.53 C ATOM 0 H VAL A 901 -7.998 -19.690 1.795 1.00 13.22 H new ATOM 0 HA VAL A 901 -9.194 -18.135 3.993 1.00 14.32 H new ATOM 0 HB VAL A 901 -9.775 -20.956 3.160 1.00 44.40 H new ATOM 0 HG11 VAL A 901 -12.005 -20.419 4.073 1.00 64.20 H new ATOM 0 HG12 VAL A 901 -10.721 -20.219 5.288 1.00 64.20 H new ATOM 0 HG13 VAL A 901 -11.430 -18.790 4.500 1.00 64.20 H new ATOM 0 HG21 VAL A 901 -11.532 -20.061 1.673 1.00 73.53 H new ATOM 0 HG22 VAL A 901 -10.930 -18.412 1.966 1.00 73.53 H new ATOM 0 HG23 VAL A 901 -9.901 -19.599 1.131 1.00 73.53 H new ATOM 1784 N GLN A 902 -7.859 -18.992 5.822 1.00 12.40 N ATOM 1785 CA GLN A 902 -7.094 -19.473 6.960 1.00 14.51 C ATOM 1786 C GLN A 902 -8.035 -19.971 8.059 1.00 1.23 C ATOM 1787 O GLN A 902 -9.139 -19.452 8.219 1.00 61.44 O ATOM 1788 CB GLN A 902 -6.158 -18.385 7.491 1.00 55.12 C ATOM 1789 CG GLN A 902 -6.949 -17.160 7.956 1.00 30.32 C ATOM 1790 CD GLN A 902 -6.266 -16.488 9.149 1.00 14.10 C ATOM 1791 OE1 GLN A 902 -6.904 -15.989 10.062 1.00 40.12 O ATOM 1792 NE2 GLN A 902 -4.938 -16.503 9.091 1.00 42.30 N ATOM 0 H GLN A 902 -8.257 -18.060 5.939 1.00 12.40 H new ATOM 0 HA GLN A 902 -6.476 -20.309 6.631 1.00 14.51 H new ATOM 0 HB2 GLN A 902 -5.570 -18.779 8.320 1.00 55.12 H new ATOM 0 HB3 GLN A 902 -5.454 -18.093 6.711 1.00 55.12 H new ATOM 0 HG2 GLN A 902 -7.040 -16.448 7.136 1.00 30.32 H new ATOM 0 HG3 GLN A 902 -7.960 -17.459 8.232 1.00 30.32 H new ATOM 0 HE21 GLN A 902 -4.467 -16.938 8.298 1.00 42.30 H new ATOM 0 HE22 GLN A 902 -4.390 -16.080 9.840 1.00 42.30 H new ATOM 1801 N THR A 903 -7.563 -20.971 8.789 1.00 11.22 N ATOM 1802 CA THR A 903 -8.348 -21.545 9.869 1.00 52.22 C ATOM 1803 C THR A 903 -7.431 -22.168 10.922 1.00 24.52 C ATOM 1804 O THR A 903 -6.273 -22.473 10.640 1.00 4.31 O ATOM 1805 CB THR A 903 -9.336 -22.540 9.257 1.00 31.34 C ATOM 1806 OG1 THR A 903 -10.286 -21.718 8.585 1.00 70.21 O ATOM 1807 CG2 THR A 903 -10.161 -23.272 10.318 1.00 73.54 C ATOM 0 H THR A 903 -6.647 -21.398 8.654 1.00 11.22 H new ATOM 0 HA THR A 903 -8.919 -20.779 10.394 1.00 52.22 H new ATOM 0 HB THR A 903 -8.792 -23.267 8.654 1.00 31.34 H new ATOM 0 HG1 THR A 903 -10.080 -20.775 8.753 1.00 70.21 H new ATOM 0 HG21 THR A 903 -10.846 -23.966 9.831 1.00 73.54 H new ATOM 0 HG22 THR A 903 -9.494 -23.825 10.980 1.00 73.54 H new ATOM 0 HG23 THR A 903 -10.731 -22.547 10.900 1.00 73.54 H new ATOM 1815 N LEU A 904 -7.983 -22.340 12.114 1.00 25.33 N ATOM 1816 CA LEU A 904 -7.228 -22.922 13.211 1.00 32.34 C ATOM 1817 C LEU A 904 -8.065 -24.017 13.876 1.00 71.22 C ATOM 1818 O LEU A 904 -9.083 -23.730 14.503 1.00 33.45 O ATOM 1819 CB LEU A 904 -6.762 -21.832 14.179 1.00 71.33 C ATOM 1820 CG LEU A 904 -7.592 -20.547 14.191 1.00 42.21 C ATOM 1821 CD1 LEU A 904 -8.901 -20.747 14.956 1.00 12.33 C ATOM 1822 CD2 LEU A 904 -6.778 -19.374 14.743 1.00 73.40 C ATOM 0 H LEU A 904 -8.944 -22.087 12.344 1.00 25.33 H new ATOM 0 HA LEU A 904 -6.320 -23.395 12.839 1.00 32.34 H new ATOM 0 HB2 LEU A 904 -6.756 -22.247 15.187 1.00 71.33 H new ATOM 0 HB3 LEU A 904 -5.732 -21.573 13.935 1.00 71.33 H new ATOM 0 HG LEU A 904 -7.855 -20.300 13.162 1.00 42.21 H new ATOM 0 HD11 LEU A 904 -9.472 -19.818 14.949 1.00 12.33 H new ATOM 0 HD12 LEU A 904 -9.484 -21.535 14.479 1.00 12.33 H new ATOM 0 HD13 LEU A 904 -8.681 -21.030 15.985 1.00 12.33 H new ATOM 0 HD21 LEU A 904 -7.391 -18.473 14.741 1.00 73.40 H new ATOM 0 HD22 LEU A 904 -6.464 -19.597 15.763 1.00 73.40 H new ATOM 0 HD23 LEU A 904 -5.898 -19.216 14.119 1.00 73.40 H new ATOM 1834 N TYR A 905 -7.605 -25.249 13.715 1.00 63.11 N ATOM 1835 CA TYR A 905 -8.298 -26.388 14.291 1.00 32.53 C ATOM 1836 C TYR A 905 -8.188 -26.383 15.817 1.00 0.14 C ATOM 1837 O TYR A 905 -7.506 -25.535 16.391 1.00 55.41 O ATOM 1838 CB TYR A 905 -7.593 -27.632 13.746 1.00 41.45 C ATOM 1839 CG TYR A 905 -7.583 -27.721 12.218 1.00 32.42 C ATOM 1840 CD1 TYR A 905 -8.769 -27.866 11.528 1.00 55.31 C ATOM 1841 CD2 TYR A 905 -6.388 -27.658 11.531 1.00 51.02 C ATOM 1842 CE1 TYR A 905 -8.760 -27.950 10.090 1.00 33.24 C ATOM 1843 CE2 TYR A 905 -6.379 -27.742 10.093 1.00 21.43 C ATOM 1844 CZ TYR A 905 -7.565 -27.884 9.444 1.00 35.41 C ATOM 1845 OH TYR A 905 -7.557 -27.964 8.086 1.00 22.24 O ATOM 0 H TYR A 905 -6.760 -25.483 13.193 1.00 63.11 H new ATOM 0 HA TYR A 905 -9.357 -26.361 14.034 1.00 32.53 H new ATOM 0 HB2 TYR A 905 -6.565 -27.642 14.107 1.00 41.45 H new ATOM 0 HB3 TYR A 905 -8.081 -28.520 14.148 1.00 41.45 H new ATOM 0 HD1 TYR A 905 -9.704 -27.917 12.066 1.00 55.31 H new ATOM 0 HD2 TYR A 905 -5.460 -27.546 12.071 1.00 51.02 H new ATOM 0 HE1 TYR A 905 -9.681 -28.063 9.538 1.00 33.24 H new ATOM 0 HE2 TYR A 905 -5.451 -27.693 9.543 1.00 21.43 H new ATOM 0 HH TYR A 905 -6.635 -27.902 7.760 1.00 22.24 H new ATOM 1855 N SER A 906 -8.869 -27.339 16.431 1.00 22.34 N ATOM 1856 CA SER A 906 -8.856 -27.455 17.880 1.00 61.32 C ATOM 1857 C SER A 906 -8.090 -28.712 18.297 1.00 31.33 C ATOM 1858 O SER A 906 -7.105 -28.629 19.030 1.00 74.03 O ATOM 1859 CB SER A 906 -10.278 -27.489 18.442 1.00 33.03 C ATOM 1860 OG SER A 906 -11.183 -28.156 17.566 1.00 12.31 O ATOM 0 H SER A 906 -9.433 -28.041 15.952 1.00 22.34 H new ATOM 0 HA SER A 906 -8.354 -26.579 18.289 1.00 61.32 H new ATOM 0 HB2 SER A 906 -10.273 -27.991 19.409 1.00 33.03 H new ATOM 0 HB3 SER A 906 -10.624 -26.470 18.614 1.00 33.03 H new ATOM 0 HG SER A 906 -12.080 -28.158 17.962 1.00 12.31 H new ATOM 1866 N LYS A 907 -8.571 -29.848 17.813 1.00 15.23 N ATOM 1867 CA LYS A 907 -7.945 -31.121 18.127 1.00 45.50 C ATOM 1868 C LYS A 907 -7.332 -31.710 16.855 1.00 50.33 C ATOM 1869 O LYS A 907 -7.582 -31.217 15.756 1.00 62.24 O ATOM 1870 CB LYS A 907 -8.941 -32.053 18.818 1.00 14.24 C ATOM 1871 CG LYS A 907 -8.254 -32.881 19.906 1.00 11.32 C ATOM 1872 CD LYS A 907 -7.598 -31.976 20.951 1.00 31.24 C ATOM 1873 CE LYS A 907 -8.457 -30.739 21.223 1.00 60.43 C ATOM 1874 NZ LYS A 907 -9.787 -31.135 21.738 1.00 3.13 N ATOM 0 H LYS A 907 -9.388 -29.913 17.205 1.00 15.23 H new ATOM 0 HA LYS A 907 -7.131 -30.980 18.838 1.00 45.50 H new ATOM 0 HB2 LYS A 907 -9.748 -31.467 19.257 1.00 14.24 H new ATOM 0 HB3 LYS A 907 -9.394 -32.717 18.082 1.00 14.24 H new ATOM 0 HG2 LYS A 907 -8.984 -33.531 20.389 1.00 11.32 H new ATOM 0 HG3 LYS A 907 -7.501 -33.527 19.455 1.00 11.32 H new ATOM 0 HD2 LYS A 907 -7.451 -32.532 21.877 1.00 31.24 H new ATOM 0 HD3 LYS A 907 -6.612 -31.669 20.603 1.00 31.24 H new ATOM 0 HE2 LYS A 907 -7.958 -30.094 21.946 1.00 60.43 H new ATOM 0 HE3 LYS A 907 -8.573 -30.161 20.306 1.00 60.43 H new ATOM 0 HZ1 LYS A 907 -10.520 -30.863 21.052 1.00 3.13 H new ATOM 0 HZ2 LYS A 907 -9.812 -32.165 21.881 1.00 3.13 H new ATOM 0 HZ3 LYS A 907 -9.965 -30.656 22.644 1.00 3.13 H new ATOM 1887 N TRP A 908 -6.542 -32.756 17.046 1.00 2.33 N ATOM 1888 CA TRP A 908 -5.892 -33.417 15.928 1.00 64.32 C ATOM 1889 C TRP A 908 -6.973 -34.105 15.092 1.00 61.30 C ATOM 1890 O TRP A 908 -6.703 -34.577 13.988 1.00 12.14 O ATOM 1891 CB TRP A 908 -4.809 -34.382 16.415 1.00 1.15 C ATOM 1892 CG TRP A 908 -3.845 -33.771 17.434 1.00 25.43 C ATOM 1893 CD1 TRP A 908 -3.003 -32.743 17.260 1.00 23.35 C ATOM 1894 CD2 TRP A 908 -3.656 -34.195 18.801 1.00 61.30 C ATOM 1895 NE1 TRP A 908 -2.288 -32.475 18.410 1.00 12.32 N ATOM 1896 CE2 TRP A 908 -2.698 -33.386 19.377 1.00 52.33 C ATOM 1897 CE3 TRP A 908 -4.274 -35.229 19.527 1.00 53.44 C ATOM 1898 CZ2 TRP A 908 -2.273 -33.525 20.703 1.00 32.24 C ATOM 1899 CZ3 TRP A 908 -3.839 -35.355 20.851 1.00 5.01 C ATOM 1900 CH2 TRP A 908 -2.875 -34.548 21.446 1.00 74.25 C ATOM 0 H TRP A 908 -6.337 -33.162 17.959 1.00 2.33 H new ATOM 0 HA TRP A 908 -5.374 -32.692 15.300 1.00 64.32 H new ATOM 0 HB2 TRP A 908 -5.287 -35.254 16.860 1.00 1.15 H new ATOM 0 HB3 TRP A 908 -4.238 -34.735 15.556 1.00 1.15 H new ATOM 0 HD1 TRP A 908 -2.897 -32.193 16.336 1.00 23.35 H new ATOM 0 HE1 TRP A 908 -1.588 -31.743 18.529 1.00 12.32 H new ATOM 0 HE3 TRP A 908 -5.025 -35.875 19.097 1.00 53.44 H new ATOM 0 HZ2 TRP A 908 -1.521 -32.878 21.130 1.00 32.24 H new ATOM 0 HZ3 TRP A 908 -4.283 -36.134 21.453 1.00 5.01 H new ATOM 0 HH2 TRP A 908 -2.592 -34.710 22.476 1.00 74.25 H new ATOM 1911 N LYS A 909 -8.174 -34.141 15.650 1.00 0.21 N ATOM 1912 CA LYS A 909 -9.297 -34.763 14.970 1.00 31.21 C ATOM 1913 C LYS A 909 -9.792 -33.836 13.858 1.00 64.22 C ATOM 1914 O LYS A 909 -10.177 -34.299 12.785 1.00 0.51 O ATOM 1915 CB LYS A 909 -10.383 -35.152 15.975 1.00 13.10 C ATOM 1916 CG LYS A 909 -9.767 -35.613 17.298 1.00 51.25 C ATOM 1917 CD LYS A 909 -8.677 -36.660 17.059 1.00 12.21 C ATOM 1918 CE LYS A 909 -9.289 -38.027 16.745 1.00 11.45 C ATOM 1919 NZ LYS A 909 -10.174 -38.464 17.848 1.00 12.43 N ATOM 0 H LYS A 909 -8.394 -33.749 16.566 1.00 0.21 H new ATOM 0 HA LYS A 909 -8.986 -35.694 14.495 1.00 31.21 H new ATOM 0 HB2 LYS A 909 -11.040 -34.301 16.153 1.00 13.10 H new ATOM 0 HB3 LYS A 909 -10.999 -35.949 15.559 1.00 13.10 H new ATOM 0 HG2 LYS A 909 -9.345 -34.757 17.825 1.00 51.25 H new ATOM 0 HG3 LYS A 909 -10.543 -36.031 17.939 1.00 51.25 H new ATOM 0 HD2 LYS A 909 -8.040 -36.345 16.233 1.00 12.21 H new ATOM 0 HD3 LYS A 909 -8.041 -36.736 17.941 1.00 12.21 H new ATOM 0 HE2 LYS A 909 -9.856 -37.974 15.815 1.00 11.45 H new ATOM 0 HE3 LYS A 909 -8.497 -38.761 16.594 1.00 11.45 H new ATOM 0 HZ1 LYS A 909 -10.282 -39.498 17.818 1.00 12.43 H new ATOM 0 HZ2 LYS A 909 -9.756 -38.186 18.759 1.00 12.43 H new ATOM 0 HZ3 LYS A 909 -11.106 -38.016 17.743 1.00 12.43 H new ATOM 1932 N ASP A 910 -9.765 -32.545 14.152 1.00 3.31 N ATOM 1933 CA ASP A 910 -10.205 -31.549 13.190 1.00 14.33 C ATOM 1934 C ASP A 910 -9.131 -31.373 12.115 1.00 22.35 C ATOM 1935 O ASP A 910 -9.315 -30.613 11.166 1.00 12.25 O ATOM 1936 CB ASP A 910 -10.426 -30.193 13.864 1.00 53.24 C ATOM 1937 CG ASP A 910 -11.626 -30.129 14.811 1.00 21.01 C ATOM 1938 OD1 ASP A 910 -11.687 -30.856 15.814 1.00 1.51 O ATOM 1939 OD2 ASP A 910 -12.537 -29.278 14.480 1.00 12.14 O ATOM 0 H ASP A 910 -9.445 -32.165 15.043 1.00 3.31 H new ATOM 0 HA ASP A 910 -11.143 -31.893 12.754 1.00 14.33 H new ATOM 0 HB2 ASP A 910 -9.527 -29.931 14.422 1.00 53.24 H new ATOM 0 HB3 ASP A 910 -10.552 -29.436 13.090 1.00 53.24 H new ATOM 1945 N PHE A 911 -8.032 -32.090 12.300 1.00 3.34 N ATOM 1946 CA PHE A 911 -6.927 -32.023 11.358 1.00 14.24 C ATOM 1947 C PHE A 911 -7.350 -32.537 9.981 1.00 60.23 C ATOM 1948 O PHE A 911 -8.288 -33.325 9.869 1.00 23.43 O ATOM 1949 CB PHE A 911 -5.817 -32.921 11.906 1.00 20.35 C ATOM 1950 CG PHE A 911 -5.959 -34.394 11.517 1.00 32.22 C ATOM 1951 CD1 PHE A 911 -7.187 -34.980 11.509 1.00 3.10 C ATOM 1952 CD2 PHE A 911 -4.858 -35.118 11.179 1.00 13.44 C ATOM 1953 CE1 PHE A 911 -7.319 -36.347 11.148 1.00 44.32 C ATOM 1954 CE2 PHE A 911 -4.990 -36.485 10.818 1.00 13.42 C ATOM 1955 CZ PHE A 911 -6.218 -37.070 10.810 1.00 23.31 C ATOM 0 H PHE A 911 -7.883 -32.720 13.088 1.00 3.34 H new ATOM 0 HA PHE A 911 -6.596 -30.991 11.245 1.00 14.24 H new ATOM 0 HB2 PHE A 911 -4.856 -32.552 11.548 1.00 20.35 H new ATOM 0 HB3 PHE A 911 -5.804 -32.843 12.993 1.00 20.35 H new ATOM 0 HD1 PHE A 911 -8.061 -34.405 11.777 1.00 3.10 H new ATOM 0 HD2 PHE A 911 -3.883 -34.653 11.185 1.00 13.44 H new ATOM 0 HE1 PHE A 911 -8.294 -36.812 11.142 1.00 44.32 H new ATOM 0 HE2 PHE A 911 -4.116 -37.060 10.550 1.00 13.42 H new ATOM 0 HZ PHE A 911 -6.319 -38.110 10.535 1.00 23.31 H new ATOM 1965 N HIS A 912 -6.638 -32.070 8.966 1.00 64.20 N ATOM 1966 CA HIS A 912 -6.927 -32.473 7.600 1.00 20.12 C ATOM 1967 C HIS A 912 -5.626 -32.856 6.891 1.00 11.44 C ATOM 1968 O HIS A 912 -5.599 -32.997 5.670 1.00 61.11 O ATOM 1969 CB HIS A 912 -7.704 -31.380 6.864 1.00 2.43 C ATOM 1970 CG HIS A 912 -9.201 -31.464 7.043 1.00 40.22 C ATOM 1971 ND1 HIS A 912 -9.895 -32.660 6.998 1.00 31.34 N ATOM 1972 CD2 HIS A 912 -10.128 -30.489 7.267 1.00 11.12 C ATOM 1973 CE1 HIS A 912 -11.181 -32.405 7.188 1.00 53.03 C ATOM 1974 NE2 HIS A 912 -11.324 -31.059 7.354 1.00 43.44 N ATOM 0 H HIS A 912 -5.861 -31.416 9.062 1.00 64.20 H new ATOM 0 HA HIS A 912 -7.569 -33.354 7.605 1.00 20.12 H new ATOM 0 HB2 HIS A 912 -7.361 -30.406 7.214 1.00 2.43 H new ATOM 0 HB3 HIS A 912 -7.472 -31.437 5.801 1.00 2.43 H new ATOM 0 HD2 HIS A 912 -9.924 -29.432 7.358 1.00 11.12 H new ATOM 0 HE1 HIS A 912 -11.977 -33.135 7.208 1.00 53.03 H new ATOM 0 HE2 HIS A 912 -12.204 -30.571 7.518 1.00 43.44 H new ATOM 1982 N PHE A 913 -4.579 -33.012 7.689 1.00 55.04 N ATOM 1983 CA PHE A 913 -3.279 -33.375 7.153 1.00 65.40 C ATOM 1984 C PHE A 913 -3.194 -34.881 6.893 1.00 5.21 C ATOM 1985 O PHE A 913 -4.193 -35.590 6.998 1.00 10.13 O ATOM 1986 CB PHE A 913 -2.238 -32.992 8.207 1.00 30.21 C ATOM 1987 CG PHE A 913 -2.076 -31.483 8.402 1.00 70.31 C ATOM 1988 CD1 PHE A 913 -1.276 -30.771 7.563 1.00 34.43 C ATOM 1989 CD2 PHE A 913 -2.732 -30.854 9.414 1.00 42.03 C ATOM 1990 CE1 PHE A 913 -1.126 -29.371 7.744 1.00 51.10 C ATOM 1991 CE2 PHE A 913 -2.581 -29.454 9.594 1.00 15.44 C ATOM 1992 CZ PHE A 913 -1.782 -28.742 8.756 1.00 41.42 C ATOM 0 H PHE A 913 -4.605 -32.894 8.702 1.00 55.04 H new ATOM 0 HA PHE A 913 -3.109 -32.860 6.207 1.00 65.40 H new ATOM 0 HB2 PHE A 913 -2.517 -33.443 9.159 1.00 30.21 H new ATOM 0 HB3 PHE A 913 -1.275 -33.417 7.923 1.00 30.21 H new ATOM 0 HD1 PHE A 913 -0.755 -31.271 6.760 1.00 34.43 H new ATOM 0 HD2 PHE A 913 -3.367 -31.419 10.080 1.00 42.03 H new ATOM 0 HE1 PHE A 913 -0.491 -28.805 7.078 1.00 51.10 H new ATOM 0 HE2 PHE A 913 -3.101 -28.954 10.398 1.00 15.44 H new ATOM 0 HZ PHE A 913 -1.668 -27.677 8.894 1.00 41.42 H new ATOM 2002 N GLU A 914 -1.991 -35.324 6.559 1.00 64.23 N ATOM 2003 CA GLU A 914 -1.762 -36.732 6.283 1.00 31.40 C ATOM 2004 C GLU A 914 -0.431 -37.183 6.888 1.00 11.35 C ATOM 2005 O GLU A 914 0.451 -36.362 7.137 1.00 61.22 O ATOM 2006 CB GLU A 914 -1.802 -37.010 4.779 1.00 32.31 C ATOM 2007 CG GLU A 914 -0.452 -36.701 4.128 1.00 34.22 C ATOM 2008 CD GLU A 914 -0.573 -36.672 2.603 1.00 10.32 C ATOM 2009 OE1 GLU A 914 -0.374 -37.704 1.945 1.00 4.25 O ATOM 2010 OE2 GLU A 914 -0.887 -35.525 2.103 1.00 15.23 O ATOM 0 H GLU A 914 -1.164 -34.733 6.473 1.00 64.23 H new ATOM 0 HA GLU A 914 -2.563 -37.307 6.747 1.00 31.40 H new ATOM 0 HB2 GLU A 914 -2.063 -38.054 4.605 1.00 32.31 H new ATOM 0 HB3 GLU A 914 -2.581 -36.405 4.314 1.00 32.31 H new ATOM 0 HG2 GLU A 914 -0.083 -35.740 4.486 1.00 34.22 H new ATOM 0 HG3 GLU A 914 0.279 -37.453 4.424 1.00 34.22 H new ATOM 2018 N LYS A 915 -0.328 -38.485 7.109 1.00 71.14 N ATOM 2019 CA LYS A 915 0.881 -39.054 7.680 1.00 35.23 C ATOM 2020 C LYS A 915 1.977 -39.089 6.613 1.00 34.24 C ATOM 2021 O LYS A 915 1.778 -39.641 5.532 1.00 0.21 O ATOM 2022 CB LYS A 915 0.586 -40.420 8.305 1.00 44.42 C ATOM 2023 CG LYS A 915 -0.021 -41.374 7.275 1.00 72.12 C ATOM 2024 CD LYS A 915 0.426 -42.815 7.531 1.00 5.41 C ATOM 2025 CE LYS A 915 1.711 -43.134 6.763 1.00 34.44 C ATOM 2026 NZ LYS A 915 1.401 -43.490 5.360 1.00 12.34 N ATOM 0 H LYS A 915 -1.062 -39.163 6.903 1.00 71.14 H new ATOM 0 HA LYS A 915 1.249 -38.429 8.494 1.00 35.23 H new ATOM 0 HB2 LYS A 915 1.506 -40.848 8.704 1.00 44.42 H new ATOM 0 HB3 LYS A 915 -0.100 -40.300 9.143 1.00 44.42 H new ATOM 0 HG2 LYS A 915 -1.109 -41.314 7.316 1.00 72.12 H new ATOM 0 HG3 LYS A 915 0.278 -41.070 6.272 1.00 72.12 H new ATOM 0 HD2 LYS A 915 0.589 -42.965 8.598 1.00 5.41 H new ATOM 0 HD3 LYS A 915 -0.363 -43.504 7.229 1.00 5.41 H new ATOM 0 HE2 LYS A 915 2.379 -42.273 6.787 1.00 34.44 H new ATOM 0 HE3 LYS A 915 2.236 -43.958 7.246 1.00 34.44 H new ATOM 0 HZ1 LYS A 915 2.284 -43.704 4.853 1.00 12.34 H new ATOM 0 HZ2 LYS A 915 0.781 -44.325 5.343 1.00 12.34 H new ATOM 0 HZ3 LYS A 915 0.920 -42.692 4.897 1.00 12.34 H new ATOM 2039 N ILE A 916 3.110 -38.493 6.955 1.00 74.21 N ATOM 2040 CA ILE A 916 4.237 -38.449 6.040 1.00 65.21 C ATOM 2041 C ILE A 916 5.516 -38.820 6.794 1.00 34.45 C ATOM 2042 O ILE A 916 5.702 -38.419 7.942 1.00 0.01 O ATOM 2043 CB ILE A 916 4.308 -37.090 5.342 1.00 43.43 C ATOM 2044 CG1 ILE A 916 2.969 -36.737 4.691 1.00 1.12 C ATOM 2045 CG2 ILE A 916 5.462 -37.048 4.338 1.00 71.45 C ATOM 2046 CD1 ILE A 916 2.856 -35.230 4.451 1.00 65.14 C ATOM 0 H ILE A 916 3.271 -38.037 7.853 1.00 74.21 H new ATOM 0 HA ILE A 916 4.110 -39.184 5.245 1.00 65.21 H new ATOM 0 HB ILE A 916 4.510 -36.329 6.096 1.00 43.43 H new ATOM 0 HG12 ILE A 916 2.870 -37.268 3.744 1.00 1.12 H new ATOM 0 HG13 ILE A 916 2.151 -37.069 5.330 1.00 1.12 H new ATOM 0 HG21 ILE A 916 5.490 -36.071 3.856 1.00 71.45 H new ATOM 0 HG22 ILE A 916 6.404 -37.223 4.858 1.00 71.45 H new ATOM 0 HG23 ILE A 916 5.316 -37.821 3.583 1.00 71.45 H new ATOM 0 HD11 ILE A 916 1.895 -35.006 3.988 1.00 65.14 H new ATOM 0 HD12 ILE A 916 2.931 -34.703 5.402 1.00 65.14 H new ATOM 0 HD13 ILE A 916 3.661 -34.905 3.792 1.00 65.14 H new ATOM 2058 N PRO A 917 6.386 -39.603 6.101 1.00 14.13 N ATOM 2059 CA PRO A 917 7.641 -40.033 6.694 1.00 52.34 C ATOM 2060 C PRO A 917 8.651 -38.884 6.732 1.00 32.01 C ATOM 2061 O PRO A 917 8.950 -38.281 5.703 1.00 62.24 O ATOM 2062 CB PRO A 917 8.101 -41.200 5.836 1.00 42.02 C ATOM 2063 CG PRO A 917 7.334 -41.085 4.529 1.00 51.13 C ATOM 2064 CD PRO A 917 6.198 -40.097 4.740 1.00 21.35 C ATOM 0 HA PRO A 917 7.532 -40.339 7.734 1.00 52.34 H new ATOM 0 HB2 PRO A 917 9.176 -41.157 5.663 1.00 42.02 H new ATOM 0 HB3 PRO A 917 7.895 -42.151 6.327 1.00 42.02 H new ATOM 0 HG2 PRO A 917 7.992 -40.745 3.729 1.00 51.13 H new ATOM 0 HG3 PRO A 917 6.943 -42.057 4.229 1.00 51.13 H new ATOM 0 HD2 PRO A 917 6.240 -39.285 4.014 1.00 21.35 H new ATOM 0 HD3 PRO A 917 5.227 -40.579 4.624 1.00 21.35 H new ATOM 2072 N PHE A 918 9.148 -38.616 7.930 1.00 1.25 N ATOM 2073 CA PHE A 918 10.118 -37.550 8.117 1.00 63.23 C ATOM 2074 C PHE A 918 11.519 -38.005 7.702 1.00 71.14 C ATOM 2075 O PHE A 918 12.235 -38.620 8.491 1.00 42.54 O ATOM 2076 CB PHE A 918 10.127 -37.209 9.608 1.00 10.11 C ATOM 2077 CG PHE A 918 10.671 -35.814 9.924 1.00 32.10 C ATOM 2078 CD1 PHE A 918 12.004 -35.565 9.823 1.00 31.01 C ATOM 2079 CD2 PHE A 918 9.821 -34.823 10.306 1.00 71.32 C ATOM 2080 CE1 PHE A 918 12.509 -34.270 10.116 1.00 34.52 C ATOM 2081 CE2 PHE A 918 10.326 -33.529 10.599 1.00 55.20 C ATOM 2082 CZ PHE A 918 11.659 -33.280 10.498 1.00 53.30 C ATOM 0 H PHE A 918 8.897 -39.119 8.781 1.00 1.25 H new ATOM 0 HA PHE A 918 9.848 -36.690 7.505 1.00 63.23 H new ATOM 0 HB2 PHE A 918 9.111 -37.288 9.994 1.00 10.11 H new ATOM 0 HB3 PHE A 918 10.727 -37.950 10.136 1.00 10.11 H new ATOM 0 HD1 PHE A 918 12.679 -36.352 9.520 1.00 31.01 H new ATOM 0 HD2 PHE A 918 8.762 -35.021 10.386 1.00 71.32 H new ATOM 0 HE1 PHE A 918 13.568 -34.072 10.035 1.00 34.52 H new ATOM 0 HE2 PHE A 918 9.651 -32.742 10.902 1.00 55.20 H new ATOM 0 HZ PHE A 918 12.043 -32.295 10.721 1.00 53.30 H new ATOM 2092 N ASP A 919 11.867 -37.686 6.464 1.00 44.11 N ATOM 2093 CA ASP A 919 13.170 -38.054 5.934 1.00 35.14 C ATOM 2094 C ASP A 919 14.235 -37.125 6.520 1.00 32.23 C ATOM 2095 O ASP A 919 14.030 -35.915 6.606 1.00 73.44 O ATOM 2096 CB ASP A 919 13.205 -37.913 4.411 1.00 11.35 C ATOM 2097 CG ASP A 919 12.876 -39.190 3.636 1.00 44.24 C ATOM 2098 OD1 ASP A 919 13.777 -39.907 3.175 1.00 2.30 O ATOM 2099 OD2 ASP A 919 11.618 -39.443 3.510 1.00 53.45 O ATOM 0 H ASP A 919 11.270 -37.177 5.812 1.00 44.11 H new ATOM 0 HA ASP A 919 13.363 -39.092 6.204 1.00 35.14 H new ATOM 0 HB2 ASP A 919 12.500 -37.136 4.117 1.00 11.35 H new ATOM 0 HB3 ASP A 919 14.197 -37.572 4.115 1.00 11.35 H new ATOM 2105 N PRO A 920 15.379 -37.742 6.919 1.00 21.53 N ATOM 2106 CA PRO A 920 16.477 -36.984 7.495 1.00 71.32 C ATOM 2107 C PRO A 920 17.232 -36.207 6.415 1.00 51.23 C ATOM 2108 O PRO A 920 18.053 -35.345 6.725 1.00 65.54 O ATOM 2109 CB PRO A 920 17.342 -38.017 8.198 1.00 64.22 C ATOM 2110 CG PRO A 920 16.955 -39.361 7.602 1.00 42.23 C ATOM 2111 CD PRO A 920 15.657 -39.173 6.834 1.00 61.24 C ATOM 0 HA PRO A 920 16.140 -36.222 8.198 1.00 71.32 H new ATOM 0 HB2 PRO A 920 18.401 -37.811 8.042 1.00 64.22 H new ATOM 0 HB3 PRO A 920 17.170 -38.003 9.274 1.00 64.22 H new ATOM 0 HG2 PRO A 920 17.741 -39.726 6.940 1.00 42.23 H new ATOM 0 HG3 PRO A 920 16.829 -40.105 8.388 1.00 42.23 H new ATOM 0 HD2 PRO A 920 15.760 -39.495 5.798 1.00 61.24 H new ATOM 0 HD3 PRO A 920 14.849 -39.760 7.272 1.00 61.24 H new ATOM 2119 N ALA A 921 16.926 -36.539 5.169 1.00 42.30 N ATOM 2120 CA ALA A 921 17.565 -35.882 4.041 1.00 25.33 C ATOM 2121 C ALA A 921 16.988 -34.475 3.882 1.00 51.53 C ATOM 2122 O ALA A 921 17.658 -33.579 3.371 1.00 44.22 O ATOM 2123 CB ALA A 921 17.382 -36.734 2.784 1.00 51.15 C ATOM 0 H ALA A 921 16.244 -37.254 4.916 1.00 42.30 H new ATOM 0 HA ALA A 921 18.637 -35.780 4.212 1.00 25.33 H new ATOM 0 HB1 ALA A 921 17.861 -36.242 1.938 1.00 51.15 H new ATOM 0 HB2 ALA A 921 17.836 -37.713 2.939 1.00 51.15 H new ATOM 0 HB3 ALA A 921 16.318 -36.856 2.578 1.00 51.15 H new ATOM 2129 N GLU A 922 15.750 -34.323 4.328 1.00 33.44 N ATOM 2130 CA GLU A 922 15.074 -33.040 4.242 1.00 42.24 C ATOM 2131 C GLU A 922 15.533 -32.121 5.376 1.00 75.01 C ATOM 2132 O GLU A 922 15.944 -30.988 5.133 1.00 4.45 O ATOM 2133 CB GLU A 922 13.555 -33.218 4.260 1.00 52.51 C ATOM 2134 CG GLU A 922 13.127 -34.373 3.353 1.00 31.32 C ATOM 2135 CD GLU A 922 12.172 -33.888 2.261 1.00 75.42 C ATOM 2136 OE1 GLU A 922 12.452 -32.881 1.595 1.00 52.15 O ATOM 2137 OE2 GLU A 922 11.105 -34.599 2.114 1.00 21.34 O ATOM 0 H GLU A 922 15.197 -35.068 4.751 1.00 33.44 H new ATOM 0 HA GLU A 922 15.340 -32.574 3.293 1.00 42.24 H new ATOM 0 HB2 GLU A 922 13.220 -33.408 5.280 1.00 52.51 H new ATOM 0 HB3 GLU A 922 13.073 -32.296 3.933 1.00 52.51 H new ATOM 0 HG2 GLU A 922 14.007 -34.827 2.896 1.00 31.32 H new ATOM 0 HG3 GLU A 922 12.642 -35.147 3.948 1.00 31.32 H new ATOM 2145 N MET A 923 15.445 -32.644 6.590 1.00 25.10 N ATOM 2146 CA MET A 923 15.846 -31.885 7.762 1.00 21.05 C ATOM 2147 C MET A 923 17.094 -31.048 7.474 1.00 53.34 C ATOM 2148 O MET A 923 17.102 -29.840 7.705 1.00 2.31 O ATOM 2149 CB MET A 923 16.132 -32.845 8.919 1.00 12.22 C ATOM 2150 CG MET A 923 16.357 -32.079 10.224 1.00 14.25 C ATOM 2151 SD MET A 923 17.474 -32.986 11.280 1.00 42.00 S ATOM 2152 CE MET A 923 16.435 -34.371 11.714 1.00 62.12 C ATOM 0 H MET A 923 15.102 -33.584 6.787 1.00 25.10 H new ATOM 0 HA MET A 923 15.033 -31.210 8.029 1.00 21.05 H new ATOM 0 HB2 MET A 923 15.297 -33.536 9.038 1.00 12.22 H new ATOM 0 HB3 MET A 923 17.012 -33.445 8.689 1.00 12.22 H new ATOM 0 HG2 MET A 923 16.767 -31.092 10.010 1.00 14.25 H new ATOM 0 HG3 MET A 923 15.406 -31.925 10.734 1.00 14.25 H new ATOM 0 HE1 MET A 923 17.047 -35.164 12.145 1.00 62.12 H new ATOM 0 HE2 MET A 923 15.689 -34.052 12.442 1.00 62.12 H new ATOM 0 HE3 MET A 923 15.934 -34.744 10.821 1.00 62.12 H new ATOM 2162 N SER A 924 18.117 -31.723 6.972 1.00 4.12 N ATOM 2163 CA SER A 924 19.367 -31.056 6.649 1.00 25.33 C ATOM 2164 C SER A 924 20.167 -31.898 5.653 1.00 41.13 C ATOM 2165 O SER A 924 19.907 -33.089 5.492 1.00 70.35 O ATOM 2166 CB SER A 924 20.195 -30.798 7.910 1.00 42.53 C ATOM 2167 OG SER A 924 19.884 -29.540 8.504 1.00 70.20 O ATOM 0 H SER A 924 18.106 -32.725 6.781 1.00 4.12 H new ATOM 0 HA SER A 924 19.134 -30.092 6.196 1.00 25.33 H new ATOM 0 HB2 SER A 924 20.014 -31.594 8.632 1.00 42.53 H new ATOM 0 HB3 SER A 924 21.256 -30.829 7.660 1.00 42.53 H new ATOM 0 HG SER A 924 18.934 -29.341 8.370 1.00 70.20 H new ATOM 2173 N LYS A 925 21.124 -31.245 5.010 1.00 62.12 N ATOM 2174 CA LYS A 925 21.964 -31.918 4.033 1.00 35.43 C ATOM 2175 C LYS A 925 22.455 -33.244 4.618 1.00 70.45 C ATOM 2176 O LYS A 925 23.388 -33.266 5.418 1.00 3.04 O ATOM 2177 CB LYS A 925 23.092 -30.995 3.569 1.00 32.12 C ATOM 2178 CG LYS A 925 23.770 -31.547 2.314 1.00 43.33 C ATOM 2179 CD LYS A 925 22.928 -31.268 1.068 1.00 54.55 C ATOM 2180 CE LYS A 925 23.296 -29.918 0.447 1.00 24.43 C ATOM 2181 NZ LYS A 925 24.724 -29.901 0.056 1.00 13.30 N ATOM 0 H LYS A 925 21.337 -30.257 5.146 1.00 62.12 H new ATOM 0 HA LYS A 925 21.391 -32.156 3.137 1.00 35.43 H new ATOM 0 HB2 LYS A 925 22.693 -30.002 3.364 1.00 32.12 H new ATOM 0 HB3 LYS A 925 23.828 -30.885 4.366 1.00 32.12 H new ATOM 0 HG2 LYS A 925 24.755 -31.095 2.200 1.00 43.33 H new ATOM 0 HG3 LYS A 925 23.922 -32.621 2.421 1.00 43.33 H new ATOM 0 HD2 LYS A 925 23.080 -32.062 0.337 1.00 54.55 H new ATOM 0 HD3 LYS A 925 21.870 -31.275 1.331 1.00 54.55 H new ATOM 0 HE2 LYS A 925 22.671 -29.730 -0.426 1.00 24.43 H new ATOM 0 HE3 LYS A 925 23.098 -29.117 1.159 1.00 24.43 H new ATOM 0 HZ1 LYS A 925 24.814 -29.537 -0.914 1.00 13.30 H new ATOM 0 HZ2 LYS A 925 25.255 -29.287 0.706 1.00 13.30 H new ATOM 0 HZ3 LYS A 925 25.108 -30.867 0.101 1.00 13.30 H new TER 2194 LYS A 925