USER MOD reduce.3.24.130724 H: found=0, std=0, add=1103, rem=0, adj=36 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 814 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0713) USER MOD Set 1.2: A 902 GLN : amide:sc= -2.09 K(o=-2.1,f=-3.9!) USER MOD Set 2.1: A 868 ASN : amide:sc= -2.86! C(o=-11!,f=-12!) USER MOD Set 2.2: A 871 HIS : no HD1:sc= -8.23! C(o=-11!,f=-12!) USER MOD Set 3.1: A 839 LYS NZ :NH3+ -161:sc= 1.02 (180deg=0.55) USER MOD Set 3.2: A 924 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 829 CYS SG : rot -46:sc= 0.368 USER MOD Set 4.2: A 830 HIS : no HD1:sc= -2.99! C(o=-2.6!,f=-4.6!) USER MOD Set 5.1: A 807 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 819 TYR OH : rot 165:sc= -0.308 USER MOD Single : A 793 SER OG : rot 42:sc= 0.0851 USER MOD Single : A 794 GLN : amide:sc= 0 K(o=0,f=-0.59) 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+ -169:sc= 0 (180deg=-0.0807) USER MOD Single : A 805 ASN :FLIP amide:sc= -0.489 F(o=-2.3,f=-0.49) USER MOD Single : A 806 LYS NZ :NH3+ -108:sc= 0 (180deg=-1.63) USER MOD Single : A 810 CYS SG : rot 150:sc= -1.19 USER MOD Single : A 812 LYS NZ :NH3+ 175:sc= 1.18 (180deg=0.945) USER MOD Single : A 813 CYS SG : rot -48:sc= -0.112 USER MOD Single : A 818 CYS SG : rot 180:sc= -0.0256 USER MOD Single : A 820 THR OG1 : rot 135:sc= -0.822! USER MOD Single : A 831 TYR OH : rot 15:sc= -2.88! USER MOD Single : A 832 THR OG1 : rot 104:sc= 1.87 USER MOD Single : A 841 CYS SG : rot 72:sc= 0.168 USER MOD Single : A 844 SER OG : rot 180:sc= 0 USER MOD Single : A 847 HIS : no HD1:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 849 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 851 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 852 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.42) USER MOD Single : A 854 SER OG : rot -99:sc= 1.02 USER MOD Single : A 855 SER OG : rot 180:sc= 0 USER MOD Single : A 858 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 861 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.0262) USER MOD Single : A 864 CYS SG : rot 91:sc= -0.583 USER MOD Single : A 867 GLN : amide:sc= -0.0496 K(o=-0.05,f=-1.6!) USER MOD Single : A 869 CYS SG : rot 180:sc= 0 USER MOD Single : A 870 SER OG : rot -52:sc= 0.119 USER MOD Single : A 876 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 878 LYS NZ :NH3+ -152:sc= -0.306 (180deg=-1.45!) USER MOD Single : A 879 TYR OH : rot 180:sc= 0 USER MOD Single : A 880 LYS NZ :NH3+ 165:sc= -0.0146 (180deg=-0.227) USER MOD Single : A 881 THR OG1 : rot -83:sc= 1.03! USER MOD Single : A 888 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 891 SER OG : rot 179:sc= 0.272 USER MOD Single : A 899 THR OG1 : rot 170:sc= -2.07 USER MOD Single : A 903 THR OG1 : rot 90:sc= -1.28! USER MOD Single : A 905 TYR OH : rot 180:sc= 0 USER MOD Single : A 906 SER OG : rot 180:sc= 0 USER MOD Single : A 907 LYS NZ :NH3+ -106:sc= -1.55 (180deg=-2.45!) USER MOD Single : A 909 LYS NZ :NH3+ 172:sc= 0.548 (180deg=0.518) USER MOD Single : A 912 HIS : no HD1:sc= -0.105 X(o=-0.11,f=-0.037) USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 923 MET CE :methyl -151:sc= -5.91! (180deg=-9.2!) USER MOD Single : A 925 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 792 -18.091 -33.417 10.982 1.00 13.31 N ATOM 2 CA ASP A 792 -17.275 -32.322 11.480 1.00 71.42 C ATOM 3 C ASP A 792 -17.111 -31.273 10.379 1.00 43.13 C ATOM 4 O ASP A 792 -15.995 -30.850 10.081 1.00 63.11 O ATOM 5 CB ASP A 792 -15.881 -32.812 11.878 1.00 15.24 C ATOM 6 CG ASP A 792 -15.849 -34.174 12.575 1.00 50.32 C ATOM 7 OD1 ASP A 792 -15.929 -34.262 13.809 1.00 11.11 O ATOM 8 OD2 ASP A 792 -15.734 -35.187 11.785 1.00 34.31 O ATOM 0 HA ASP A 792 -17.772 -31.900 12.353 1.00 71.42 H new ATOM 0 HB2 ASP A 792 -15.261 -32.864 10.983 1.00 15.24 H new ATOM 0 HB3 ASP A 792 -15.427 -32.072 12.537 1.00 15.24 H new ATOM 14 N SER A 793 -18.239 -30.883 9.804 1.00 1.42 N ATOM 15 CA SER A 793 -18.234 -29.891 8.743 1.00 40.55 C ATOM 16 C SER A 793 -19.202 -28.755 9.083 1.00 64.23 C ATOM 17 O SER A 793 -20.403 -28.980 9.223 1.00 2.32 O ATOM 18 CB SER A 793 -18.606 -30.520 7.399 1.00 61.23 C ATOM 19 OG SER A 793 -19.770 -31.336 7.495 1.00 33.04 O ATOM 0 H SER A 793 -19.163 -31.236 10.053 1.00 1.42 H new ATOM 0 HA SER A 793 -17.225 -29.487 8.658 1.00 40.55 H new ATOM 0 HB2 SER A 793 -18.775 -29.732 6.665 1.00 61.23 H new ATOM 0 HB3 SER A 793 -17.772 -31.120 7.036 1.00 61.23 H new ATOM 0 HG SER A 793 -20.437 -30.890 8.058 1.00 33.04 H new ATOM 25 N GLN A 794 -18.642 -27.561 9.205 1.00 10.43 N ATOM 26 CA GLN A 794 -19.440 -26.390 9.526 1.00 13.44 C ATOM 27 C GLN A 794 -19.707 -25.566 8.265 1.00 65.45 C ATOM 28 O GLN A 794 -20.537 -24.659 8.275 1.00 72.33 O ATOM 29 CB GLN A 794 -18.760 -25.540 10.602 1.00 61.23 C ATOM 30 CG GLN A 794 -19.792 -24.758 11.417 1.00 23.32 C ATOM 31 CD GLN A 794 -19.120 -23.985 12.554 1.00 73.10 C ATOM 32 OE1 GLN A 794 -17.942 -23.671 12.515 1.00 60.24 O ATOM 33 NE2 GLN A 794 -19.933 -23.697 13.566 1.00 14.41 N ATOM 0 H GLN A 794 -17.645 -27.379 9.087 1.00 10.43 H new ATOM 0 HA GLN A 794 -20.397 -26.726 9.926 1.00 13.44 H new ATOM 0 HB2 GLN A 794 -18.179 -26.182 11.264 1.00 61.23 H new ATOM 0 HB3 GLN A 794 -18.060 -24.847 10.135 1.00 61.23 H new ATOM 0 HG2 GLN A 794 -20.325 -24.065 10.766 1.00 23.32 H new ATOM 0 HG3 GLN A 794 -20.533 -25.444 11.827 1.00 23.32 H new ATOM 0 HE21 GLN A 794 -20.910 -23.990 13.535 1.00 14.41 H new ATOM 0 HE22 GLN A 794 -19.580 -23.183 14.373 1.00 14.41 H new ATOM 42 N GLU A 795 -18.986 -25.912 7.208 1.00 61.31 N ATOM 43 CA GLU A 795 -19.134 -25.217 5.941 1.00 41.42 C ATOM 44 C GLU A 795 -18.780 -26.148 4.780 1.00 51.25 C ATOM 45 O GLU A 795 -17.959 -27.051 4.931 1.00 3.33 O ATOM 46 CB GLU A 795 -18.278 -23.949 5.908 1.00 65.31 C ATOM 47 CG GLU A 795 -18.190 -23.383 4.489 1.00 31.31 C ATOM 48 CD GLU A 795 -17.625 -21.961 4.500 1.00 70.52 C ATOM 49 OE1 GLU A 795 -16.401 -21.780 4.422 1.00 23.35 O ATOM 50 OE2 GLU A 795 -18.507 -21.025 4.591 1.00 13.24 O ATOM 0 H GLU A 795 -18.298 -26.665 7.204 1.00 61.31 H new ATOM 0 HA GLU A 795 -20.176 -24.915 5.834 1.00 41.42 H new ATOM 0 HB2 GLU A 795 -18.705 -23.201 6.576 1.00 65.31 H new ATOM 0 HB3 GLU A 795 -17.277 -24.172 6.277 1.00 65.31 H new ATOM 0 HG2 GLU A 795 -17.557 -24.025 3.876 1.00 31.31 H new ATOM 0 HG3 GLU A 795 -19.180 -23.381 4.032 1.00 31.31 H new ATOM 58 N LYS A 796 -19.418 -25.896 3.646 1.00 64.03 N ATOM 59 CA LYS A 796 -19.180 -26.701 2.459 1.00 14.42 C ATOM 60 C LYS A 796 -17.861 -26.272 1.813 1.00 74.00 C ATOM 61 O LYS A 796 -17.515 -25.092 1.824 1.00 10.14 O ATOM 62 CB LYS A 796 -20.381 -26.628 1.513 1.00 1.55 C ATOM 63 CG LYS A 796 -19.926 -26.567 0.054 1.00 71.02 C ATOM 64 CD LYS A 796 -20.952 -27.229 -0.868 1.00 54.41 C ATOM 65 CE LYS A 796 -20.261 -27.993 -1.999 1.00 12.10 C ATOM 66 NZ LYS A 796 -21.253 -28.749 -2.796 1.00 14.51 N ATOM 0 H LYS A 796 -20.099 -25.146 3.524 1.00 64.03 H new ATOM 0 HA LYS A 796 -19.077 -27.753 2.726 1.00 14.42 H new ATOM 0 HB2 LYS A 796 -21.020 -27.499 1.662 1.00 1.55 H new ATOM 0 HB3 LYS A 796 -20.981 -25.749 1.748 1.00 1.55 H new ATOM 0 HG2 LYS A 796 -19.782 -25.528 -0.243 1.00 71.02 H new ATOM 0 HG3 LYS A 796 -18.962 -27.065 -0.051 1.00 71.02 H new ATOM 0 HD2 LYS A 796 -21.577 -27.912 -0.292 1.00 54.41 H new ATOM 0 HD3 LYS A 796 -21.612 -26.470 -1.288 1.00 54.41 H new ATOM 0 HE2 LYS A 796 -19.725 -27.295 -2.642 1.00 12.10 H new ATOM 0 HE3 LYS A 796 -19.521 -28.678 -1.584 1.00 12.10 H new ATOM 0 HZ1 LYS A 796 -20.767 -29.262 -3.559 1.00 14.51 H new ATOM 0 HZ2 LYS A 796 -21.746 -29.428 -2.182 1.00 14.51 H new ATOM 0 HZ3 LYS A 796 -21.943 -28.089 -3.207 1.00 14.51 H new ATOM 79 N PRO A 797 -17.143 -27.280 1.250 1.00 21.22 N ATOM 80 CA PRO A 797 -15.870 -27.020 0.600 1.00 3.44 C ATOM 81 C PRO A 797 -16.076 -26.358 -0.764 1.00 25.31 C ATOM 82 O PRO A 797 -17.175 -26.392 -1.314 1.00 40.44 O ATOM 83 CB PRO A 797 -15.191 -28.376 0.506 1.00 21.45 C ATOM 84 CG PRO A 797 -16.294 -29.407 0.681 1.00 32.42 C ATOM 85 CD PRO A 797 -17.522 -28.690 1.218 1.00 40.24 C ATOM 0 HA PRO A 797 -15.250 -26.317 1.156 1.00 3.44 H new ATOM 0 HB2 PRO A 797 -14.692 -28.497 -0.455 1.00 21.45 H new ATOM 0 HB3 PRO A 797 -14.428 -28.485 1.277 1.00 21.45 H new ATOM 0 HG2 PRO A 797 -16.519 -29.890 -0.270 1.00 32.42 H new ATOM 0 HG3 PRO A 797 -15.978 -30.191 1.370 1.00 32.42 H new ATOM 0 HD2 PRO A 797 -18.388 -28.853 0.576 1.00 40.24 H new ATOM 0 HD3 PRO A 797 -17.789 -29.051 2.211 1.00 40.24 H new ATOM 93 N LYS A 798 -15.000 -25.773 -1.270 1.00 52.22 N ATOM 94 CA LYS A 798 -15.049 -25.105 -2.560 1.00 0.13 C ATOM 95 C LYS A 798 -14.135 -25.838 -3.544 1.00 4.54 C ATOM 96 O LYS A 798 -13.272 -26.613 -3.135 1.00 61.22 O ATOM 97 CB LYS A 798 -14.721 -23.618 -2.406 1.00 33.32 C ATOM 98 CG LYS A 798 -13.216 -23.373 -2.526 1.00 62.42 C ATOM 99 CD LYS A 798 -12.896 -21.879 -2.456 1.00 51.23 C ATOM 100 CE LYS A 798 -13.608 -21.221 -1.273 1.00 13.51 C ATOM 101 NZ LYS A 798 -12.844 -20.046 -0.796 1.00 61.30 N ATOM 0 H LYS A 798 -14.090 -25.748 -0.810 1.00 52.22 H new ATOM 0 HA LYS A 798 -16.058 -25.144 -2.972 1.00 0.13 H new ATOM 0 HB2 LYS A 798 -15.248 -23.045 -3.169 1.00 33.32 H new ATOM 0 HB3 LYS A 798 -15.075 -23.262 -1.438 1.00 33.32 H new ATOM 0 HG2 LYS A 798 -12.694 -23.898 -1.726 1.00 62.42 H new ATOM 0 HG3 LYS A 798 -12.851 -23.783 -3.468 1.00 62.42 H new ATOM 0 HD2 LYS A 798 -11.819 -21.738 -2.361 1.00 51.23 H new ATOM 0 HD3 LYS A 798 -13.200 -21.394 -3.384 1.00 51.23 H new ATOM 0 HE2 LYS A 798 -14.611 -20.914 -1.570 1.00 13.51 H new ATOM 0 HE3 LYS A 798 -13.722 -21.941 -0.463 1.00 13.51 H new ATOM 0 HZ1 LYS A 798 -13.341 -19.611 0.007 1.00 61.30 H new ATOM 0 HZ2 LYS A 798 -11.896 -20.348 -0.494 1.00 61.30 H new ATOM 0 HZ3 LYS A 798 -12.757 -19.352 -1.566 1.00 61.30 H new ATOM 114 N PRO A 799 -14.361 -25.558 -4.855 1.00 65.23 N ATOM 115 CA PRO A 799 -13.567 -26.182 -5.901 1.00 11.23 C ATOM 116 C PRO A 799 -12.171 -25.561 -5.973 1.00 44.03 C ATOM 117 O PRO A 799 -11.983 -24.401 -5.609 1.00 32.33 O ATOM 118 CB PRO A 799 -14.372 -25.985 -7.175 1.00 64.23 C ATOM 119 CG PRO A 799 -15.352 -24.862 -6.880 1.00 40.43 C ATOM 120 CD PRO A 799 -15.373 -24.645 -5.376 1.00 55.21 C ATOM 0 HA PRO A 799 -13.388 -27.242 -5.719 1.00 11.23 H new ATOM 0 HB2 PRO A 799 -13.722 -25.727 -8.011 1.00 64.23 H new ATOM 0 HB3 PRO A 799 -14.897 -26.899 -7.450 1.00 64.23 H new ATOM 0 HG2 PRO A 799 -15.052 -23.949 -7.393 1.00 40.43 H new ATOM 0 HG3 PRO A 799 -16.347 -25.119 -7.243 1.00 40.43 H new ATOM 0 HD2 PRO A 799 -15.141 -23.611 -5.122 1.00 55.21 H new ATOM 0 HD3 PRO A 799 -16.356 -24.863 -4.958 1.00 55.21 H new ATOM 128 N VAL A 800 -11.226 -26.361 -6.447 1.00 13.34 N ATOM 129 CA VAL A 800 -9.852 -25.904 -6.572 1.00 35.31 C ATOM 130 C VAL A 800 -9.349 -26.198 -7.986 1.00 61.24 C ATOM 131 O VAL A 800 -9.771 -27.171 -8.610 1.00 24.23 O ATOM 132 CB VAL A 800 -8.987 -26.544 -5.484 1.00 72.23 C ATOM 133 CG1 VAL A 800 -8.256 -27.777 -6.020 1.00 1.30 C ATOM 134 CG2 VAL A 800 -8.000 -25.531 -4.902 1.00 50.41 C ATOM 0 H VAL A 800 -11.385 -27.322 -6.749 1.00 13.34 H new ATOM 0 HA VAL A 800 -9.792 -24.826 -6.423 1.00 35.31 H new ATOM 0 HB VAL A 800 -9.646 -26.869 -4.679 1.00 72.23 H new ATOM 0 HG11 VAL A 800 -7.648 -28.213 -5.227 1.00 1.30 H new ATOM 0 HG12 VAL A 800 -8.985 -28.511 -6.364 1.00 1.30 H new ATOM 0 HG13 VAL A 800 -7.614 -27.486 -6.851 1.00 1.30 H new ATOM 0 HG21 VAL A 800 -7.398 -26.012 -4.131 1.00 50.41 H new ATOM 0 HG22 VAL A 800 -7.348 -25.162 -5.694 1.00 50.41 H new ATOM 0 HG23 VAL A 800 -8.550 -24.697 -4.466 1.00 50.41 H new ATOM 144 N PRO A 801 -8.430 -25.317 -8.464 1.00 53.53 N ATOM 145 CA PRO A 801 -7.865 -25.472 -9.794 1.00 2.23 C ATOM 146 C PRO A 801 -6.841 -26.608 -9.825 1.00 31.42 C ATOM 147 O PRO A 801 -7.160 -27.725 -10.231 1.00 1.12 O ATOM 148 CB PRO A 801 -7.259 -24.117 -10.124 1.00 71.52 C ATOM 149 CG PRO A 801 -7.097 -23.398 -8.795 1.00 42.11 C ATOM 150 CD PRO A 801 -7.908 -24.153 -7.754 1.00 43.34 C ATOM 0 HA PRO A 801 -8.611 -25.752 -10.538 1.00 2.23 H new ATOM 0 HB2 PRO A 801 -6.298 -24.231 -10.626 1.00 71.52 H new ATOM 0 HB3 PRO A 801 -7.906 -23.553 -10.797 1.00 71.52 H new ATOM 0 HG2 PRO A 801 -6.046 -23.361 -8.507 1.00 42.11 H new ATOM 0 HG3 PRO A 801 -7.443 -22.367 -8.874 1.00 42.11 H new ATOM 0 HD2 PRO A 801 -7.288 -24.450 -6.908 1.00 43.34 H new ATOM 0 HD3 PRO A 801 -8.715 -23.537 -7.357 1.00 43.34 H new ATOM 158 N ASP A 802 -5.632 -26.285 -9.390 1.00 40.13 N ATOM 159 CA ASP A 802 -4.559 -27.265 -9.363 1.00 55.11 C ATOM 160 C ASP A 802 -3.831 -27.180 -8.020 1.00 73.52 C ATOM 161 O ASP A 802 -4.255 -26.451 -7.125 1.00 70.10 O ATOM 162 CB ASP A 802 -3.540 -26.996 -10.472 1.00 23.34 C ATOM 163 CG ASP A 802 -3.744 -27.812 -11.750 1.00 20.23 C ATOM 164 OD1 ASP A 802 -4.505 -28.791 -11.768 1.00 21.02 O ATOM 165 OD2 ASP A 802 -3.073 -27.401 -12.772 1.00 54.20 O ATOM 0 H ASP A 802 -5.371 -25.358 -9.053 1.00 40.13 H new ATOM 0 HA ASP A 802 -4.999 -28.252 -9.509 1.00 55.11 H new ATOM 0 HB2 ASP A 802 -3.573 -25.937 -10.726 1.00 23.34 H new ATOM 0 HB3 ASP A 802 -2.542 -27.199 -10.085 1.00 23.34 H new ATOM 171 N LYS A 803 -2.748 -27.937 -7.922 1.00 40.01 N ATOM 172 CA LYS A 803 -1.957 -27.957 -6.704 1.00 2.25 C ATOM 173 C LYS A 803 -1.562 -26.526 -6.334 1.00 5.21 C ATOM 174 O LYS A 803 -1.081 -25.773 -7.179 1.00 45.22 O ATOM 175 CB LYS A 803 -0.765 -28.905 -6.854 1.00 12.33 C ATOM 176 CG LYS A 803 0.461 -28.365 -6.116 1.00 4.43 C ATOM 177 CD LYS A 803 1.442 -29.491 -5.784 1.00 32.41 C ATOM 178 CE LYS A 803 2.352 -29.100 -4.618 1.00 61.50 C ATOM 179 NZ LYS A 803 3.140 -27.894 -4.958 1.00 20.55 N ATOM 0 H LYS A 803 -2.400 -28.541 -8.667 1.00 40.01 H new ATOM 0 HA LYS A 803 -2.545 -28.350 -5.875 1.00 2.25 H new ATOM 0 HB2 LYS A 803 -1.026 -29.888 -6.462 1.00 12.33 H new ATOM 0 HB3 LYS A 803 -0.530 -29.035 -7.910 1.00 12.33 H new ATOM 0 HG2 LYS A 803 0.958 -27.614 -6.730 1.00 4.43 H new ATOM 0 HG3 LYS A 803 0.147 -27.869 -5.198 1.00 4.43 H new ATOM 0 HD2 LYS A 803 0.890 -30.396 -5.531 1.00 32.41 H new ATOM 0 HD3 LYS A 803 2.047 -29.721 -6.661 1.00 32.41 H new ATOM 0 HE2 LYS A 803 1.752 -28.911 -3.728 1.00 61.50 H new ATOM 0 HE3 LYS A 803 3.023 -29.925 -4.380 1.00 61.50 H new ATOM 0 HZ1 LYS A 803 3.880 -27.750 -4.242 1.00 20.55 H new ATOM 0 HZ2 LYS A 803 3.581 -28.019 -5.892 1.00 20.55 H new ATOM 0 HZ3 LYS A 803 2.513 -27.064 -4.980 1.00 20.55 H new ATOM 192 N GLU A 804 -1.779 -26.194 -5.070 1.00 11.51 N ATOM 193 CA GLU A 804 -1.452 -24.866 -4.578 1.00 24.11 C ATOM 194 C GLU A 804 -1.299 -24.887 -3.056 1.00 2.13 C ATOM 195 O GLU A 804 -2.281 -25.040 -2.332 1.00 33.32 O ATOM 196 CB GLU A 804 -2.507 -23.846 -5.009 1.00 41.21 C ATOM 197 CG GLU A 804 -2.579 -23.742 -6.534 1.00 22.30 C ATOM 198 CD GLU A 804 -3.462 -22.569 -6.963 1.00 2.31 C ATOM 199 OE1 GLU A 804 -3.367 -22.109 -8.110 1.00 51.44 O ATOM 200 OE2 GLU A 804 -4.270 -22.134 -6.056 1.00 22.41 O ATOM 0 H GLU A 804 -2.177 -26.822 -4.371 1.00 11.51 H new ATOM 0 HA GLU A 804 -0.501 -24.562 -5.015 1.00 24.11 H new ATOM 0 HB2 GLU A 804 -3.481 -24.136 -4.614 1.00 41.21 H new ATOM 0 HB3 GLU A 804 -2.269 -22.870 -4.585 1.00 41.21 H new ATOM 0 HG2 GLU A 804 -1.576 -23.614 -6.941 1.00 22.30 H new ATOM 0 HG3 GLU A 804 -2.975 -24.670 -6.947 1.00 22.30 H new ATOM 208 N ASN A 805 -0.059 -24.730 -2.615 1.00 72.31 N ATOM 209 CA ASN A 805 0.235 -24.729 -1.192 1.00 72.21 C ATOM 210 C ASN A 805 -0.531 -23.588 -0.519 1.00 25.44 C ATOM 211 O ASN A 805 -1.019 -22.682 -1.191 1.00 51.21 O ATOM 212 CB ASN A 805 1.728 -24.511 -0.938 1.00 73.54 C ATOM 213 CG ASN A 805 2.116 -23.050 -1.172 1.00 63.34 C ATOM 214 OD1 ASN A 805 1.973 -22.274 -0.102 1.00 44.45 O flip ATOM 215 ND2 ASN A 805 2.519 -22.654 -2.253 1.00 23.32 N flip ATOM 0 H ASN A 805 0.753 -24.603 -3.218 1.00 72.31 H new ATOM 0 HA ASN A 805 -0.062 -25.696 -0.785 1.00 72.21 H new ATOM 0 HB2 ASN A 805 1.972 -24.796 0.085 1.00 73.54 H new ATOM 0 HB3 ASN A 805 2.310 -25.156 -1.596 1.00 73.54 H new ATOM 0 HD21 ASN A 805 2.605 -23.304 -3.034 1.00 23.32 H new ATOM 0 HD22 ASN A 805 2.770 -21.673 -2.376 1.00 23.32 H new ATOM 222 N LYS A 806 -0.611 -23.671 0.801 1.00 1.23 N ATOM 223 CA LYS A 806 -1.309 -22.657 1.573 1.00 4.54 C ATOM 224 C LYS A 806 -0.336 -22.020 2.567 1.00 5.55 C ATOM 225 O LYS A 806 0.644 -22.645 2.970 1.00 10.04 O ATOM 226 CB LYS A 806 -2.558 -23.248 2.229 1.00 54.52 C ATOM 227 CG LYS A 806 -2.905 -22.502 3.519 1.00 34.01 C ATOM 228 CD LYS A 806 -4.333 -22.820 3.969 1.00 41.31 C ATOM 229 CE LYS A 806 -4.630 -24.315 3.835 1.00 40.40 C ATOM 230 NZ LYS A 806 -5.851 -24.670 4.592 1.00 71.11 N ATOM 0 H LYS A 806 -0.204 -24.424 1.355 1.00 1.23 H new ATOM 0 HA LYS A 806 -1.667 -21.861 0.920 1.00 4.54 H new ATOM 0 HB2 LYS A 806 -3.398 -23.193 1.536 1.00 54.52 H new ATOM 0 HB3 LYS A 806 -2.394 -24.303 2.448 1.00 54.52 H new ATOM 0 HG2 LYS A 806 -2.202 -22.780 4.304 1.00 34.01 H new ATOM 0 HG3 LYS A 806 -2.800 -21.428 3.362 1.00 34.01 H new ATOM 0 HD2 LYS A 806 -4.469 -22.510 5.005 1.00 41.31 H new ATOM 0 HD3 LYS A 806 -5.043 -22.249 3.370 1.00 41.31 H new ATOM 0 HE2 LYS A 806 -4.758 -24.574 2.784 1.00 40.40 H new ATOM 0 HE3 LYS A 806 -3.784 -24.895 4.205 1.00 40.40 H new ATOM 0 HZ1 LYS A 806 -5.589 -25.213 5.439 1.00 71.11 H new ATOM 0 HZ2 LYS A 806 -6.348 -23.802 4.877 1.00 71.11 H new ATOM 0 HZ3 LYS A 806 -6.476 -25.245 3.992 1.00 71.11 H new ATOM 243 N LYS A 807 -0.639 -20.783 2.934 1.00 34.25 N ATOM 244 CA LYS A 807 0.196 -20.055 3.874 1.00 41.42 C ATOM 245 C LYS A 807 -0.399 -20.174 5.278 1.00 15.31 C ATOM 246 O LYS A 807 -1.580 -20.485 5.431 1.00 4.14 O ATOM 247 CB LYS A 807 0.391 -18.610 3.409 1.00 71.11 C ATOM 248 CG LYS A 807 1.096 -17.779 4.482 1.00 4.05 C ATOM 249 CD LYS A 807 1.304 -16.338 4.012 1.00 50.01 C ATOM 250 CE LYS A 807 1.932 -16.302 2.617 1.00 12.22 C ATOM 251 NZ LYS A 807 2.440 -14.945 2.313 1.00 71.54 N ATOM 0 H LYS A 807 -1.452 -20.267 2.597 1.00 34.25 H new ATOM 0 HA LYS A 807 1.194 -20.491 3.913 1.00 41.42 H new ATOM 0 HB2 LYS A 807 0.977 -18.596 2.490 1.00 71.11 H new ATOM 0 HB3 LYS A 807 -0.577 -18.165 3.177 1.00 71.11 H new ATOM 0 HG2 LYS A 807 0.505 -17.785 5.398 1.00 4.05 H new ATOM 0 HG3 LYS A 807 2.059 -18.230 4.721 1.00 4.05 H new ATOM 0 HD2 LYS A 807 0.348 -15.815 3.998 1.00 50.01 H new ATOM 0 HD3 LYS A 807 1.946 -15.811 4.718 1.00 50.01 H new ATOM 0 HE2 LYS A 807 2.747 -17.023 2.560 1.00 12.22 H new ATOM 0 HE3 LYS A 807 1.193 -16.596 1.871 1.00 12.22 H new ATOM 0 HZ1 LYS A 807 2.863 -14.937 1.363 1.00 71.54 H new ATOM 0 HZ2 LYS A 807 1.654 -14.264 2.348 1.00 71.54 H new ATOM 0 HZ3 LYS A 807 3.160 -14.679 3.015 1.00 71.54 H new ATOM 264 N LEU A 808 0.444 -19.920 6.268 1.00 43.25 N ATOM 265 CA LEU A 808 0.016 -19.995 7.654 1.00 1.40 C ATOM 266 C LEU A 808 0.446 -18.722 8.386 1.00 43.45 C ATOM 267 O LEU A 808 1.481 -18.138 8.067 1.00 24.22 O ATOM 268 CB LEU A 808 0.529 -21.281 8.305 1.00 42.14 C ATOM 269 CG LEU A 808 -0.097 -22.583 7.801 1.00 20.12 C ATOM 270 CD1 LEU A 808 0.698 -23.155 6.626 1.00 23.53 C ATOM 271 CD2 LEU A 808 -0.247 -23.595 8.939 1.00 51.01 C ATOM 0 H LEU A 808 1.422 -19.662 6.137 1.00 43.25 H new ATOM 0 HA LEU A 808 -1.071 -20.046 7.714 1.00 1.40 H new ATOM 0 HB2 LEU A 808 1.607 -21.337 8.153 1.00 42.14 H new ATOM 0 HB3 LEU A 808 0.361 -21.213 9.380 1.00 42.14 H new ATOM 0 HG LEU A 808 -1.099 -22.361 7.433 1.00 20.12 H new ATOM 0 HD11 LEU A 808 0.232 -24.080 6.287 1.00 23.53 H new ATOM 0 HD12 LEU A 808 0.709 -22.434 5.809 1.00 23.53 H new ATOM 0 HD13 LEU A 808 1.720 -23.359 6.944 1.00 23.53 H new ATOM 0 HD21 LEU A 808 -0.694 -24.512 8.554 1.00 51.01 H new ATOM 0 HD22 LEU A 808 0.734 -23.818 9.359 1.00 51.01 H new ATOM 0 HD23 LEU A 808 -0.888 -23.177 9.716 1.00 51.01 H new ATOM 283 N LEU A 809 -0.370 -18.328 9.352 1.00 20.21 N ATOM 284 CA LEU A 809 -0.087 -17.135 10.131 1.00 2.14 C ATOM 285 C LEU A 809 -0.062 -17.496 11.618 1.00 40.00 C ATOM 286 O LEU A 809 -0.453 -18.598 11.999 1.00 11.04 O ATOM 287 CB LEU A 809 -1.078 -16.021 9.785 1.00 25.55 C ATOM 288 CG LEU A 809 -0.648 -15.064 8.672 1.00 53.10 C ATOM 289 CD1 LEU A 809 -0.787 -15.723 7.298 1.00 11.13 C ATOM 290 CD2 LEU A 809 -1.419 -13.745 8.756 1.00 74.05 C ATOM 0 H LEU A 809 -1.228 -18.814 9.613 1.00 20.21 H new ATOM 0 HA LEU A 809 0.899 -16.742 9.881 1.00 2.14 H new ATOM 0 HB2 LEU A 809 -2.024 -16.480 9.497 1.00 25.55 H new ATOM 0 HB3 LEU A 809 -1.267 -15.437 10.686 1.00 25.55 H new ATOM 0 HG LEU A 809 0.407 -14.830 8.811 1.00 53.10 H new ATOM 0 HD11 LEU A 809 -0.475 -15.021 6.525 1.00 11.13 H new ATOM 0 HD12 LEU A 809 -0.159 -16.613 7.256 1.00 11.13 H new ATOM 0 HD13 LEU A 809 -1.827 -16.005 7.133 1.00 11.13 H new ATOM 0 HD21 LEU A 809 -1.095 -13.082 7.954 1.00 74.05 H new ATOM 0 HD22 LEU A 809 -2.487 -13.941 8.656 1.00 74.05 H new ATOM 0 HD23 LEU A 809 -1.226 -13.271 9.718 1.00 74.05 H new ATOM 302 N CYS A 810 0.402 -16.546 12.417 1.00 31.41 N ATOM 303 CA CYS A 810 0.483 -16.751 13.853 1.00 11.55 C ATOM 304 C CYS A 810 -0.656 -15.972 14.514 1.00 11.34 C ATOM 305 O CYS A 810 -0.641 -14.742 14.536 1.00 1.13 O ATOM 306 CB CYS A 810 1.850 -16.342 14.407 1.00 72.24 C ATOM 307 SG CYS A 810 2.611 -17.749 15.296 1.00 72.15 S ATOM 0 H CYS A 810 0.725 -15.633 12.097 1.00 31.41 H new ATOM 0 HA CYS A 810 0.376 -17.812 14.078 1.00 11.55 H new ATOM 0 HB2 CYS A 810 2.500 -16.021 13.593 1.00 72.24 H new ATOM 0 HB3 CYS A 810 1.739 -15.492 15.081 1.00 72.24 H new ATOM 0 HG CYS A 810 3.905 -17.676 15.198 1.00 72.15 H new ATOM 313 N ARG A 811 -1.617 -16.720 15.037 1.00 44.21 N ATOM 314 CA ARG A 811 -2.761 -16.115 15.697 1.00 52.23 C ATOM 315 C ARG A 811 -2.314 -14.931 16.557 1.00 64.32 C ATOM 316 O ARG A 811 -3.078 -13.992 16.773 1.00 71.12 O ATOM 317 CB ARG A 811 -3.489 -17.131 16.579 1.00 71.12 C ATOM 318 CG ARG A 811 -4.766 -16.529 17.170 1.00 64.22 C ATOM 319 CD ARG A 811 -4.490 -15.886 18.530 1.00 5.14 C ATOM 320 NE ARG A 811 -5.393 -14.732 18.737 1.00 20.13 N ATOM 321 CZ ARG A 811 -6.657 -14.834 19.200 1.00 20.03 C ATOM 322 NH1 ARG A 811 -7.178 -16.040 19.509 1.00 33.41 N ATOM 323 NH2 ARG A 811 -7.375 -13.736 19.347 1.00 75.44 N ATOM 0 H ARG A 811 -1.626 -17.740 15.017 1.00 44.21 H new ATOM 0 HA ARG A 811 -3.445 -15.768 14.922 1.00 52.23 H new ATOM 0 HB2 ARG A 811 -3.737 -18.015 15.992 1.00 71.12 H new ATOM 0 HB3 ARG A 811 -2.830 -17.457 17.384 1.00 71.12 H new ATOM 0 HG2 ARG A 811 -5.171 -15.783 16.486 1.00 64.22 H new ATOM 0 HG3 ARG A 811 -5.523 -17.306 17.278 1.00 64.22 H new ATOM 0 HD2 ARG A 811 -4.635 -16.619 19.324 1.00 5.14 H new ATOM 0 HD3 ARG A 811 -3.451 -15.560 18.583 1.00 5.14 H new ATOM 0 HE ARG A 811 -5.038 -13.802 18.516 1.00 20.13 H new ATOM 0 HH11 ARG A 811 -6.616 -16.883 19.393 1.00 33.41 H new ATOM 0 HH12 ARG A 811 -8.134 -16.108 19.858 1.00 33.41 H new ATOM 0 HH21 ARG A 811 -6.973 -12.829 19.112 1.00 75.44 H new ATOM 0 HH22 ARG A 811 -8.332 -13.795 19.696 1.00 75.44 H new ATOM 336 N LYS A 812 -1.077 -15.015 17.025 1.00 41.04 N ATOM 337 CA LYS A 812 -0.518 -13.962 17.856 1.00 35.54 C ATOM 338 C LYS A 812 -0.901 -12.601 17.273 1.00 2.42 C ATOM 339 O LYS A 812 -1.803 -11.936 17.780 1.00 50.41 O ATOM 340 CB LYS A 812 0.990 -14.157 18.026 1.00 35.23 C ATOM 341 CG LYS A 812 1.320 -14.684 19.424 1.00 2.13 C ATOM 342 CD LYS A 812 1.198 -16.208 19.479 1.00 62.10 C ATOM 343 CE LYS A 812 2.381 -16.878 18.778 1.00 63.34 C ATOM 344 NZ LYS A 812 2.841 -18.056 19.548 1.00 51.25 N ATOM 0 H LYS A 812 -0.446 -15.796 16.844 1.00 41.04 H new ATOM 0 HA LYS A 812 -0.937 -14.007 18.861 1.00 35.54 H new ATOM 0 HB2 LYS A 812 1.357 -14.855 17.274 1.00 35.23 H new ATOM 0 HB3 LYS A 812 1.504 -13.210 17.860 1.00 35.23 H new ATOM 0 HG2 LYS A 812 2.332 -14.387 19.699 1.00 2.13 H new ATOM 0 HG3 LYS A 812 0.646 -14.235 20.154 1.00 2.13 H new ATOM 0 HD2 LYS A 812 1.153 -16.536 20.518 1.00 62.10 H new ATOM 0 HD3 LYS A 812 0.267 -16.519 19.006 1.00 62.10 H new ATOM 0 HE2 LYS A 812 2.090 -17.184 17.773 1.00 63.34 H new ATOM 0 HE3 LYS A 812 3.198 -16.165 18.670 1.00 63.34 H new ATOM 0 HZ1 LYS A 812 3.588 -18.548 19.017 1.00 51.25 H new ATOM 0 HZ2 LYS A 812 3.217 -17.745 20.467 1.00 51.25 H new ATOM 0 HZ3 LYS A 812 2.042 -18.704 19.702 1.00 51.25 H new ATOM 357 N CYS A 813 -0.195 -12.226 16.216 1.00 34.21 N ATOM 358 CA CYS A 813 -0.450 -10.956 15.559 1.00 44.44 C ATOM 359 C CYS A 813 -0.853 -11.237 14.110 1.00 55.31 C ATOM 360 O CYS A 813 -0.716 -10.373 13.245 1.00 62.33 O ATOM 361 CB CYS A 813 0.760 -10.023 15.643 1.00 4.00 C ATOM 362 SG CYS A 813 0.251 -8.302 15.285 1.00 75.43 S ATOM 0 H CYS A 813 0.553 -12.780 15.799 1.00 34.21 H new ATOM 0 HA CYS A 813 -1.263 -10.438 16.068 1.00 44.44 H new ATOM 0 HB2 CYS A 813 1.205 -10.080 16.636 1.00 4.00 H new ATOM 0 HB3 CYS A 813 1.524 -10.340 14.933 1.00 4.00 H new ATOM 0 HG CYS A 813 -0.468 -8.278 14.202 1.00 75.43 H new ATOM 368 N LYS A 814 -1.344 -12.448 13.890 1.00 0.33 N ATOM 369 CA LYS A 814 -1.769 -12.853 12.561 1.00 22.43 C ATOM 370 C LYS A 814 -0.675 -12.502 11.551 1.00 4.03 C ATOM 371 O LYS A 814 -0.902 -11.716 10.633 1.00 3.42 O ATOM 372 CB LYS A 814 -3.133 -12.247 12.226 1.00 2.53 C ATOM 373 CG LYS A 814 -3.949 -11.998 13.496 1.00 33.32 C ATOM 374 CD LYS A 814 -4.169 -13.300 14.270 1.00 52.11 C ATOM 375 CE LYS A 814 -5.281 -14.135 13.633 1.00 72.35 C ATOM 376 NZ LYS A 814 -6.608 -13.569 13.962 1.00 34.44 N ATOM 0 H LYS A 814 -1.457 -13.162 14.610 1.00 0.33 H new ATOM 0 HA LYS A 814 -1.908 -13.933 12.519 1.00 22.43 H new ATOM 0 HB2 LYS A 814 -2.996 -11.309 11.688 1.00 2.53 H new ATOM 0 HB3 LYS A 814 -3.680 -12.918 11.564 1.00 2.53 H new ATOM 0 HG2 LYS A 814 -3.432 -11.277 14.129 1.00 33.32 H new ATOM 0 HG3 LYS A 814 -4.912 -11.559 13.234 1.00 33.32 H new ATOM 0 HD2 LYS A 814 -3.244 -13.876 14.291 1.00 52.11 H new ATOM 0 HD3 LYS A 814 -4.427 -13.073 15.305 1.00 52.11 H new ATOM 0 HE2 LYS A 814 -5.149 -14.162 12.551 1.00 72.35 H new ATOM 0 HE3 LYS A 814 -5.220 -15.164 13.988 1.00 72.35 H new ATOM 0 HZ1 LYS A 814 -7.350 -14.249 13.700 1.00 34.44 H new ATOM 0 HZ2 LYS A 814 -6.660 -13.376 14.983 1.00 34.44 H new ATOM 0 HZ3 LYS A 814 -6.748 -12.684 13.435 1.00 34.44 H new ATOM 389 N ALA A 815 0.489 -13.102 11.755 1.00 0.21 N ATOM 390 CA ALA A 815 1.619 -12.862 10.874 1.00 61.12 C ATOM 391 C ALA A 815 2.142 -14.200 10.347 1.00 41.23 C ATOM 392 O ALA A 815 2.117 -15.204 11.057 1.00 11.42 O ATOM 393 CB ALA A 815 2.693 -12.071 11.624 1.00 52.03 C ATOM 0 H ALA A 815 0.674 -13.754 12.518 1.00 0.21 H new ATOM 0 HA ALA A 815 1.315 -12.265 10.014 1.00 61.12 H new ATOM 0 HB1 ALA A 815 3.541 -11.891 10.963 1.00 52.03 H new ATOM 0 HB2 ALA A 815 2.280 -11.117 11.952 1.00 52.03 H new ATOM 0 HB3 ALA A 815 3.025 -12.641 12.492 1.00 52.03 H new ATOM 399 N LEU A 816 2.604 -14.171 9.105 1.00 13.42 N ATOM 400 CA LEU A 816 3.132 -15.368 8.475 1.00 72.43 C ATOM 401 C LEU A 816 3.960 -16.154 9.494 1.00 14.52 C ATOM 402 O LEU A 816 4.774 -15.577 10.214 1.00 72.22 O ATOM 403 CB LEU A 816 3.902 -15.009 7.203 1.00 64.13 C ATOM 404 CG LEU A 816 4.804 -16.106 6.632 1.00 74.00 C ATOM 405 CD1 LEU A 816 6.024 -16.334 7.526 1.00 12.43 C ATOM 406 CD2 LEU A 816 4.016 -17.397 6.398 1.00 14.52 C ATOM 0 H LEU A 816 2.623 -13.337 8.519 1.00 13.42 H new ATOM 0 HA LEU A 816 2.319 -16.019 8.155 1.00 72.43 H new ATOM 0 HB2 LEU A 816 3.183 -14.722 6.436 1.00 64.13 H new ATOM 0 HB3 LEU A 816 4.516 -14.132 7.409 1.00 64.13 H new ATOM 0 HG LEU A 816 5.174 -15.773 5.662 1.00 74.00 H new ATOM 0 HD11 LEU A 816 6.648 -17.118 7.097 1.00 12.43 H new ATOM 0 HD12 LEU A 816 6.600 -15.411 7.598 1.00 12.43 H new ATOM 0 HD13 LEU A 816 5.695 -16.635 8.521 1.00 12.43 H new ATOM 0 HD21 LEU A 816 4.680 -18.160 5.992 1.00 14.52 H new ATOM 0 HD22 LEU A 816 3.598 -17.745 7.343 1.00 14.52 H new ATOM 0 HD23 LEU A 816 3.208 -17.207 5.692 1.00 14.52 H new ATOM 418 N ALA A 817 3.723 -17.457 9.523 1.00 13.32 N ATOM 419 CA ALA A 817 4.436 -18.327 10.443 1.00 42.24 C ATOM 420 C ALA A 817 5.164 -19.413 9.649 1.00 65.14 C ATOM 421 O ALA A 817 6.319 -19.727 9.934 1.00 31.32 O ATOM 422 CB ALA A 817 3.454 -18.909 11.461 1.00 1.43 C ATOM 0 H ALA A 817 3.047 -17.932 8.924 1.00 13.32 H new ATOM 0 HA ALA A 817 5.186 -17.765 10.999 1.00 42.24 H new ATOM 0 HB1 ALA A 817 3.989 -19.562 12.151 1.00 1.43 H new ATOM 0 HB2 ALA A 817 2.985 -18.098 12.018 1.00 1.43 H new ATOM 0 HB3 ALA A 817 2.687 -19.483 10.940 1.00 1.43 H new ATOM 428 N CYS A 818 4.460 -19.957 8.667 1.00 13.03 N ATOM 429 CA CYS A 818 5.025 -21.002 7.830 1.00 54.50 C ATOM 430 C CYS A 818 4.024 -21.318 6.716 1.00 4.13 C ATOM 431 O CYS A 818 3.011 -20.635 6.574 1.00 4.14 O ATOM 432 CB CYS A 818 5.385 -22.246 8.644 1.00 41.11 C ATOM 433 SG CYS A 818 4.029 -22.648 9.806 1.00 65.25 S ATOM 0 H CYS A 818 3.503 -19.694 8.432 1.00 13.03 H new ATOM 0 HA CYS A 818 5.959 -20.654 7.390 1.00 54.50 H new ATOM 0 HB2 CYS A 818 5.564 -23.088 7.976 1.00 41.11 H new ATOM 0 HB3 CYS A 818 6.309 -22.075 9.196 1.00 41.11 H new ATOM 0 HG CYS A 818 4.344 -23.707 10.491 1.00 65.25 H new ATOM 439 N TYR A 819 4.344 -22.354 5.955 1.00 53.14 N ATOM 440 CA TYR A 819 3.486 -22.769 4.858 1.00 74.20 C ATOM 441 C TYR A 819 3.151 -24.259 4.957 1.00 10.14 C ATOM 442 O TYR A 819 3.879 -25.021 5.591 1.00 31.33 O ATOM 443 CB TYR A 819 4.288 -22.523 3.579 1.00 73.24 C ATOM 444 CG TYR A 819 4.501 -21.044 3.253 1.00 42.31 C ATOM 445 CD1 TYR A 819 5.494 -20.332 3.895 1.00 0.00 C ATOM 446 CD2 TYR A 819 3.701 -20.421 2.317 1.00 50.43 C ATOM 447 CE1 TYR A 819 5.695 -18.939 3.588 1.00 30.45 C ATOM 448 CE2 TYR A 819 3.902 -19.028 2.010 1.00 31.11 C ATOM 449 CZ TYR A 819 4.889 -18.356 2.661 1.00 30.22 C ATOM 450 OH TYR A 819 5.079 -17.041 2.372 1.00 53.04 O ATOM 0 H TYR A 819 5.185 -22.918 6.076 1.00 53.14 H new ATOM 0 HA TYR A 819 2.547 -22.216 4.875 1.00 74.20 H new ATOM 0 HB2 TYR A 819 5.260 -23.007 3.673 1.00 73.24 H new ATOM 0 HB3 TYR A 819 3.774 -22.998 2.743 1.00 73.24 H new ATOM 0 HD1 TYR A 819 6.120 -20.819 4.628 1.00 0.00 H new ATOM 0 HD2 TYR A 819 2.924 -20.978 1.814 1.00 50.43 H new ATOM 0 HE1 TYR A 819 6.468 -18.371 4.083 1.00 30.45 H new ATOM 0 HE2 TYR A 819 3.283 -18.529 1.279 1.00 31.11 H new ATOM 0 HH TYR A 819 4.611 -16.818 1.540 1.00 53.04 H new ATOM 460 N THR A 820 2.049 -24.629 4.322 1.00 41.15 N ATOM 461 CA THR A 820 1.609 -26.014 4.330 1.00 0.34 C ATOM 462 C THR A 820 2.424 -26.839 3.332 1.00 1.54 C ATOM 463 O THR A 820 2.318 -28.064 3.301 1.00 53.41 O ATOM 464 CB THR A 820 0.105 -26.034 4.050 1.00 1.42 C ATOM 465 OG1 THR A 820 -0.372 -27.149 4.798 1.00 55.05 O ATOM 466 CG2 THR A 820 -0.215 -26.393 2.598 1.00 73.50 C ATOM 0 H THR A 820 1.447 -23.994 3.798 1.00 41.15 H new ATOM 0 HA THR A 820 1.780 -26.477 5.302 1.00 0.34 H new ATOM 0 HB THR A 820 -0.321 -25.059 4.284 1.00 1.42 H new ATOM 0 HG1 THR A 820 -1.187 -26.895 5.280 1.00 55.05 H new ATOM 0 HG21 THR A 820 -1.295 -26.393 2.453 1.00 73.50 H new ATOM 0 HG22 THR A 820 0.240 -25.659 1.933 1.00 73.50 H new ATOM 0 HG23 THR A 820 0.182 -27.383 2.372 1.00 73.50 H new ATOM 474 N ALA A 821 3.220 -26.134 2.542 1.00 52.25 N ATOM 475 CA ALA A 821 4.053 -26.786 1.545 1.00 54.50 C ATOM 476 C ALA A 821 5.337 -27.286 2.208 1.00 4.44 C ATOM 477 O ALA A 821 6.096 -28.045 1.607 1.00 34.14 O ATOM 478 CB ALA A 821 4.330 -25.814 0.396 1.00 12.54 C ATOM 0 H ALA A 821 3.306 -25.118 2.572 1.00 52.25 H new ATOM 0 HA ALA A 821 3.541 -27.651 1.124 1.00 54.50 H new ATOM 0 HB1 ALA A 821 4.955 -26.303 -0.352 1.00 12.54 H new ATOM 0 HB2 ALA A 821 3.387 -25.512 -0.060 1.00 12.54 H new ATOM 0 HB3 ALA A 821 4.846 -24.934 0.780 1.00 12.54 H new ATOM 484 N ASP A 822 5.542 -26.839 3.439 1.00 65.31 N ATOM 485 CA ASP A 822 6.722 -27.232 4.191 1.00 64.05 C ATOM 486 C ASP A 822 6.299 -28.093 5.383 1.00 43.24 C ATOM 487 O ASP A 822 7.137 -28.725 6.025 1.00 53.05 O ATOM 488 CB ASP A 822 7.464 -26.008 4.731 1.00 51.20 C ATOM 489 CG ASP A 822 7.948 -25.023 3.665 1.00 5.33 C ATOM 490 OD1 ASP A 822 8.598 -24.013 3.977 1.00 73.23 O ATOM 491 OD2 ASP A 822 7.629 -25.330 2.454 1.00 45.14 O ATOM 0 H ASP A 822 4.911 -26.209 3.934 1.00 65.31 H new ATOM 0 HA ASP A 822 7.380 -27.786 3.521 1.00 64.05 H new ATOM 0 HB2 ASP A 822 6.807 -25.479 5.421 1.00 51.20 H new ATOM 0 HB3 ASP A 822 8.324 -26.348 5.307 1.00 51.20 H new ATOM 497 N VAL A 823 5.000 -28.090 5.642 1.00 2.55 N ATOM 498 CA VAL A 823 4.456 -28.862 6.746 1.00 32.31 C ATOM 499 C VAL A 823 4.484 -30.349 6.385 1.00 42.20 C ATOM 500 O VAL A 823 4.071 -30.734 5.292 1.00 12.24 O ATOM 501 CB VAL A 823 3.054 -28.359 7.096 1.00 0.32 C ATOM 502 CG1 VAL A 823 2.371 -29.291 8.099 1.00 61.13 C ATOM 503 CG2 VAL A 823 3.103 -26.925 7.627 1.00 43.53 C ATOM 0 H VAL A 823 4.308 -27.565 5.106 1.00 2.55 H new ATOM 0 HA VAL A 823 5.066 -28.732 7.640 1.00 32.31 H new ATOM 0 HB VAL A 823 2.461 -28.358 6.182 1.00 0.32 H new ATOM 0 HG11 VAL A 823 1.376 -28.910 8.330 1.00 61.13 H new ATOM 0 HG12 VAL A 823 2.287 -30.289 7.669 1.00 61.13 H new ATOM 0 HG13 VAL A 823 2.963 -29.339 9.013 1.00 61.13 H new ATOM 0 HG21 VAL A 823 2.094 -26.592 7.868 1.00 43.53 H new ATOM 0 HG22 VAL A 823 3.721 -26.890 8.524 1.00 43.53 H new ATOM 0 HG23 VAL A 823 3.530 -26.270 6.867 1.00 43.53 H new ATOM 513 N ARG A 824 4.976 -31.144 7.324 1.00 40.31 N ATOM 514 CA ARG A 824 5.064 -32.579 7.118 1.00 32.54 C ATOM 515 C ARG A 824 5.042 -33.310 8.462 1.00 21.43 C ATOM 516 O ARG A 824 5.938 -33.130 9.285 1.00 24.33 O ATOM 517 CB ARG A 824 6.342 -32.951 6.364 1.00 1.22 C ATOM 518 CG ARG A 824 6.323 -32.387 4.942 1.00 3.52 C ATOM 519 CD ARG A 824 7.631 -32.697 4.212 1.00 64.13 C ATOM 520 NE ARG A 824 7.374 -32.872 2.765 1.00 51.42 N ATOM 521 CZ ARG A 824 8.271 -33.379 1.892 1.00 13.52 C ATOM 522 NH1 ARG A 824 9.493 -33.766 2.314 1.00 43.23 N ATOM 523 NH2 ARG A 824 7.934 -33.490 0.621 1.00 41.33 N ATOM 0 H ARG A 824 5.318 -30.821 8.229 1.00 40.31 H new ATOM 0 HA ARG A 824 4.203 -32.881 6.521 1.00 32.54 H new ATOM 0 HB2 ARG A 824 7.210 -32.567 6.900 1.00 1.22 H new ATOM 0 HB3 ARG A 824 6.445 -34.036 6.328 1.00 1.22 H new ATOM 0 HG2 ARG A 824 5.485 -32.812 4.390 1.00 3.52 H new ATOM 0 HG3 ARG A 824 6.168 -31.309 4.977 1.00 3.52 H new ATOM 0 HD2 ARG A 824 8.345 -31.888 4.368 1.00 64.13 H new ATOM 0 HD3 ARG A 824 8.080 -33.602 4.622 1.00 64.13 H new ATOM 0 HE ARG A 824 6.462 -32.592 2.404 1.00 51.42 H new ATOM 0 HH11 ARG A 824 9.745 -33.677 3.298 1.00 43.23 H new ATOM 0 HH12 ARG A 824 10.165 -34.148 1.649 1.00 43.23 H new ATOM 0 HH21 ARG A 824 7.008 -33.195 0.311 1.00 41.33 H new ATOM 0 HH22 ARG A 824 8.599 -33.871 -0.052 1.00 41.33 H new ATOM 536 N VAL A 825 4.009 -34.120 8.643 1.00 12.30 N ATOM 537 CA VAL A 825 3.859 -34.879 9.873 1.00 13.40 C ATOM 538 C VAL A 825 4.748 -36.122 9.812 1.00 75.45 C ATOM 539 O VAL A 825 5.085 -36.595 8.727 1.00 25.24 O ATOM 540 CB VAL A 825 2.383 -35.209 10.107 1.00 23.12 C ATOM 541 CG1 VAL A 825 1.934 -36.370 9.217 1.00 15.45 C ATOM 542 CG2 VAL A 825 2.117 -35.514 11.583 1.00 63.23 C ATOM 0 H VAL A 825 3.268 -34.267 7.958 1.00 12.30 H new ATOM 0 HA VAL A 825 4.186 -34.288 10.729 1.00 13.40 H new ATOM 0 HB VAL A 825 1.796 -34.332 9.835 1.00 23.12 H new ATOM 0 HG11 VAL A 825 0.882 -36.585 9.402 1.00 15.45 H new ATOM 0 HG12 VAL A 825 2.070 -36.100 8.170 1.00 15.45 H new ATOM 0 HG13 VAL A 825 2.530 -37.254 9.444 1.00 15.45 H new ATOM 0 HG21 VAL A 825 1.061 -35.745 11.722 1.00 63.23 H new ATOM 0 HG22 VAL A 825 2.719 -36.368 11.892 1.00 63.23 H new ATOM 0 HG23 VAL A 825 2.381 -34.646 12.187 1.00 63.23 H new ATOM 552 N ILE A 826 5.101 -36.617 10.989 1.00 51.12 N ATOM 553 CA ILE A 826 5.944 -37.797 11.083 1.00 51.45 C ATOM 554 C ILE A 826 5.065 -39.030 11.299 1.00 21.21 C ATOM 555 O ILE A 826 4.917 -39.501 12.426 1.00 61.34 O ATOM 556 CB ILE A 826 7.013 -37.607 12.160 1.00 45.31 C ATOM 557 CG1 ILE A 826 8.131 -36.686 11.666 1.00 3.25 C ATOM 558 CG2 ILE A 826 7.552 -38.955 12.641 1.00 24.33 C ATOM 559 CD1 ILE A 826 8.543 -35.692 12.754 1.00 1.23 C ATOM 0 H ILE A 826 4.819 -36.222 11.886 1.00 51.12 H new ATOM 0 HA ILE A 826 6.488 -37.952 10.151 1.00 51.45 H new ATOM 0 HB ILE A 826 6.550 -37.120 13.019 1.00 45.31 H new ATOM 0 HG12 ILE A 826 8.993 -37.282 11.368 1.00 3.25 H new ATOM 0 HG13 ILE A 826 7.797 -36.144 10.781 1.00 3.25 H new ATOM 0 HG21 ILE A 826 8.311 -38.791 13.406 1.00 24.33 H new ATOM 0 HG22 ILE A 826 6.736 -39.545 13.059 1.00 24.33 H new ATOM 0 HG23 ILE A 826 7.994 -39.491 11.801 1.00 24.33 H new ATOM 0 HD11 ILE A 826 9.339 -35.049 12.377 1.00 1.23 H new ATOM 0 HD12 ILE A 826 7.684 -35.081 13.033 1.00 1.23 H new ATOM 0 HD13 ILE A 826 8.900 -36.237 13.628 1.00 1.23 H new ATOM 571 N GLU A 827 4.505 -39.518 10.202 1.00 30.21 N ATOM 572 CA GLU A 827 3.645 -40.688 10.258 1.00 52.02 C ATOM 573 C GLU A 827 2.509 -40.465 11.259 1.00 44.32 C ATOM 574 O GLU A 827 2.185 -41.355 12.043 1.00 13.12 O ATOM 575 CB GLU A 827 4.447 -41.942 10.610 1.00 61.35 C ATOM 576 CG GLU A 827 5.630 -42.122 9.656 1.00 41.20 C ATOM 577 CD GLU A 827 5.162 -42.635 8.293 1.00 64.14 C ATOM 578 OE1 GLU A 827 3.990 -43.008 8.140 1.00 54.25 O ATOM 579 OE2 GLU A 827 6.066 -42.637 7.372 1.00 73.53 O ATOM 0 H GLU A 827 4.630 -39.125 9.269 1.00 30.21 H new ATOM 0 HA GLU A 827 3.209 -40.841 9.271 1.00 52.02 H new ATOM 0 HB2 GLU A 827 4.810 -41.870 11.635 1.00 61.35 H new ATOM 0 HB3 GLU A 827 3.800 -42.818 10.562 1.00 61.35 H new ATOM 0 HG2 GLU A 827 6.150 -41.172 9.532 1.00 41.20 H new ATOM 0 HG3 GLU A 827 6.345 -42.823 10.086 1.00 41.20 H new ATOM 587 N GLU A 828 1.937 -39.271 11.199 1.00 30.43 N ATOM 588 CA GLU A 828 0.845 -38.920 12.091 1.00 52.00 C ATOM 589 C GLU A 828 1.341 -38.850 13.537 1.00 61.15 C ATOM 590 O GLU A 828 0.559 -39.004 14.473 1.00 20.43 O ATOM 591 CB GLU A 828 -0.313 -39.911 11.956 1.00 14.52 C ATOM 592 CG GLU A 828 -0.596 -40.227 10.486 1.00 22.32 C ATOM 593 CD GLU A 828 -1.724 -41.252 10.353 1.00 22.42 C ATOM 594 OE1 GLU A 828 -1.489 -42.458 10.524 1.00 71.03 O ATOM 595 OE2 GLU A 828 -2.879 -40.757 10.063 1.00 71.33 O ATOM 0 H GLU A 828 2.209 -38.535 10.547 1.00 30.43 H new ATOM 0 HA GLU A 828 0.473 -37.935 11.808 1.00 52.00 H new ATOM 0 HB2 GLU A 828 -0.073 -40.831 12.490 1.00 14.52 H new ATOM 0 HB3 GLU A 828 -1.207 -39.496 12.421 1.00 14.52 H new ATOM 0 HG2 GLU A 828 -0.867 -39.312 9.959 1.00 22.32 H new ATOM 0 HG3 GLU A 828 0.307 -40.612 10.013 1.00 22.32 H new ATOM 603 N CYS A 829 2.638 -38.618 13.673 1.00 44.55 N ATOM 604 CA CYS A 829 3.248 -38.525 14.988 1.00 23.42 C ATOM 605 C CYS A 829 3.138 -37.077 15.469 1.00 74.14 C ATOM 606 O CYS A 829 2.626 -36.818 16.557 1.00 45.31 O ATOM 607 CB CYS A 829 4.698 -39.013 14.975 1.00 64.13 C ATOM 608 SG CYS A 829 5.376 -39.009 16.675 1.00 72.03 S ATOM 0 H CYS A 829 3.284 -38.492 12.894 1.00 44.55 H new ATOM 0 HA CYS A 829 2.720 -39.178 15.683 1.00 23.42 H new ATOM 0 HB2 CYS A 829 4.748 -40.019 14.557 1.00 64.13 H new ATOM 0 HB3 CYS A 829 5.301 -38.371 14.333 1.00 64.13 H new ATOM 0 HG CYS A 829 5.070 -37.890 17.262 1.00 72.03 H new ATOM 614 N HIS A 830 3.625 -36.171 14.634 1.00 61.35 N ATOM 615 CA HIS A 830 3.587 -34.756 14.959 1.00 3.25 C ATOM 616 C HIS A 830 3.861 -33.932 13.700 1.00 52.33 C ATOM 617 O HIS A 830 4.639 -34.344 12.840 1.00 15.25 O ATOM 618 CB HIS A 830 4.556 -34.435 16.100 1.00 53.13 C ATOM 619 CG HIS A 830 4.040 -34.812 17.468 1.00 72.20 C ATOM 620 ND1 HIS A 830 4.476 -35.935 18.150 1.00 14.32 N ATOM 621 CD2 HIS A 830 3.122 -34.204 18.273 1.00 20.22 C ATOM 622 CE1 HIS A 830 3.841 -35.991 19.312 1.00 43.50 C ATOM 623 NE2 HIS A 830 3.002 -34.917 19.386 1.00 25.52 N ATOM 0 H HIS A 830 4.048 -36.390 13.732 1.00 61.35 H new ATOM 0 HA HIS A 830 2.593 -34.488 15.317 1.00 3.25 H new ATOM 0 HB2 HIS A 830 5.497 -34.956 15.921 1.00 53.13 H new ATOM 0 HB3 HIS A 830 4.775 -33.367 16.087 1.00 53.13 H new ATOM 0 HD2 HIS A 830 2.584 -33.296 18.044 1.00 20.22 H new ATOM 0 HE1 HIS A 830 3.966 -36.753 20.068 1.00 43.50 H new ATOM 0 HE2 HIS A 830 2.385 -34.698 20.168 1.00 25.52 H new ATOM 631 N TYR A 831 3.206 -32.782 13.630 1.00 70.01 N ATOM 632 CA TYR A 831 3.369 -31.896 12.490 1.00 74.23 C ATOM 633 C TYR A 831 4.672 -31.101 12.594 1.00 32.42 C ATOM 634 O TYR A 831 4.773 -30.171 13.392 1.00 42.41 O ATOM 635 CB TYR A 831 2.188 -30.925 12.539 1.00 55.24 C ATOM 636 CG TYR A 831 0.880 -31.507 11.997 1.00 45.34 C ATOM 637 CD1 TYR A 831 0.824 -31.993 10.706 1.00 1.41 C ATOM 638 CD2 TYR A 831 -0.242 -31.546 12.798 1.00 14.33 C ATOM 639 CE1 TYR A 831 -0.406 -32.540 10.196 1.00 31.20 C ATOM 640 CE2 TYR A 831 -1.473 -32.093 12.288 1.00 24.42 C ATOM 641 CZ TYR A 831 -1.494 -32.564 11.012 1.00 2.42 C ATOM 642 OH TYR A 831 -2.656 -33.081 10.530 1.00 3.25 O ATOM 0 H TYR A 831 2.561 -32.444 14.344 1.00 70.01 H new ATOM 0 HA TYR A 831 3.403 -32.467 11.562 1.00 74.23 H new ATOM 0 HB2 TYR A 831 2.033 -30.609 13.571 1.00 55.24 H new ATOM 0 HB3 TYR A 831 2.441 -30.032 11.967 1.00 55.24 H new ATOM 0 HD1 TYR A 831 1.703 -31.963 10.079 1.00 1.41 H new ATOM 0 HD2 TYR A 831 -0.198 -31.166 13.808 1.00 14.33 H new ATOM 0 HE1 TYR A 831 -0.464 -32.923 9.188 1.00 31.20 H new ATOM 0 HE2 TYR A 831 -2.359 -32.128 12.905 1.00 24.42 H new ATOM 0 HH TYR A 831 -2.474 -33.588 9.711 1.00 3.25 H new ATOM 652 N THR A 832 5.636 -31.498 11.777 1.00 44.20 N ATOM 653 CA THR A 832 6.929 -30.834 11.767 1.00 20.15 C ATOM 654 C THR A 832 7.277 -30.365 10.353 1.00 24.44 C ATOM 655 O THR A 832 7.411 -31.179 9.441 1.00 24.51 O ATOM 656 CB THR A 832 7.960 -31.798 12.359 1.00 15.45 C ATOM 657 OG1 THR A 832 7.800 -32.989 11.595 1.00 70.42 O ATOM 658 CG2 THR A 832 7.612 -32.222 13.788 1.00 53.03 C ATOM 0 H THR A 832 5.548 -32.271 11.117 1.00 44.20 H new ATOM 0 HA THR A 832 6.916 -29.933 12.380 1.00 20.15 H new ATOM 0 HB THR A 832 8.944 -31.329 12.349 1.00 15.45 H new ATOM 0 HG1 THR A 832 8.538 -33.069 10.956 1.00 70.42 H new ATOM 0 HG21 THR A 832 8.375 -32.905 14.161 1.00 53.03 H new ATOM 0 HG22 THR A 832 7.569 -31.341 14.429 1.00 53.03 H new ATOM 0 HG23 THR A 832 6.643 -32.722 13.794 1.00 53.03 H new ATOM 666 N VAL A 833 7.414 -29.055 10.216 1.00 42.22 N ATOM 667 CA VAL A 833 7.744 -28.468 8.928 1.00 5.12 C ATOM 668 C VAL A 833 9.265 -28.375 8.790 1.00 64.11 C ATOM 669 O VAL A 833 9.994 -28.586 9.758 1.00 63.41 O ATOM 670 CB VAL A 833 7.047 -27.115 8.775 1.00 13.14 C ATOM 671 CG1 VAL A 833 5.702 -27.106 9.505 1.00 71.11 C ATOM 672 CG2 VAL A 833 7.944 -25.977 9.266 1.00 40.23 C ATOM 0 H VAL A 833 7.303 -28.383 10.975 1.00 42.22 H new ATOM 0 HA VAL A 833 7.381 -29.099 8.117 1.00 5.12 H new ATOM 0 HB VAL A 833 6.854 -26.956 7.714 1.00 13.14 H new ATOM 0 HG11 VAL A 833 5.227 -26.133 9.381 1.00 71.11 H new ATOM 0 HG12 VAL A 833 5.057 -27.880 9.089 1.00 71.11 H new ATOM 0 HG13 VAL A 833 5.862 -27.298 10.566 1.00 71.11 H new ATOM 0 HG21 VAL A 833 7.424 -25.026 9.146 1.00 40.23 H new ATOM 0 HG22 VAL A 833 8.182 -26.130 10.319 1.00 40.23 H new ATOM 0 HG23 VAL A 833 8.865 -25.963 8.684 1.00 40.23 H new ATOM 682 N LEU A 834 9.699 -28.059 7.579 1.00 42.03 N ATOM 683 CA LEU A 834 11.120 -27.936 7.301 1.00 2.42 C ATOM 684 C LEU A 834 11.372 -26.646 6.518 1.00 4.30 C ATOM 685 O LEU A 834 10.444 -25.883 6.256 1.00 52.13 O ATOM 686 CB LEU A 834 11.640 -29.192 6.600 1.00 23.33 C ATOM 687 CG LEU A 834 10.922 -30.499 6.945 1.00 1.53 C ATOM 688 CD1 LEU A 834 9.558 -30.572 6.257 1.00 71.53 C ATOM 689 CD2 LEU A 834 11.797 -31.709 6.615 1.00 63.21 C ATOM 0 H LEU A 834 9.091 -27.884 6.779 1.00 42.03 H new ATOM 0 HA LEU A 834 11.685 -27.861 8.230 1.00 2.42 H new ATOM 0 HB2 LEU A 834 11.573 -29.037 5.523 1.00 23.33 H new ATOM 0 HB3 LEU A 834 12.697 -29.307 6.840 1.00 23.33 H new ATOM 0 HG LEU A 834 10.742 -30.517 8.020 1.00 1.53 H new ATOM 0 HD11 LEU A 834 9.068 -31.510 6.518 1.00 71.53 H new ATOM 0 HD12 LEU A 834 8.940 -29.736 6.585 1.00 71.53 H new ATOM 0 HD13 LEU A 834 9.692 -30.522 5.176 1.00 71.53 H new ATOM 0 HD21 LEU A 834 11.263 -32.624 6.870 1.00 63.21 H new ATOM 0 HD22 LEU A 834 12.031 -31.710 5.550 1.00 63.21 H new ATOM 0 HD23 LEU A 834 12.722 -31.657 7.189 1.00 63.21 H new ATOM 701 N GLY A 835 12.633 -26.442 6.167 1.00 44.45 N ATOM 702 CA GLY A 835 13.020 -25.257 5.419 1.00 75.14 C ATOM 703 C GLY A 835 13.781 -24.271 6.307 1.00 31.43 C ATOM 704 O GLY A 835 13.415 -24.062 7.463 1.00 50.52 O ATOM 0 H GLY A 835 13.400 -27.077 6.387 1.00 44.45 H new ATOM 0 HA2 GLY A 835 13.643 -25.545 4.572 1.00 75.14 H new ATOM 0 HA3 GLY A 835 12.132 -24.774 5.012 1.00 75.14 H new ATOM 708 N ASP A 836 14.826 -23.693 5.734 1.00 10.13 N ATOM 709 CA ASP A 836 15.642 -22.734 6.460 1.00 60.30 C ATOM 710 C ASP A 836 14.914 -21.390 6.516 1.00 35.11 C ATOM 711 O ASP A 836 15.254 -20.529 7.325 1.00 3.43 O ATOM 712 CB ASP A 836 16.986 -22.515 5.762 1.00 33.12 C ATOM 713 CG ASP A 836 16.907 -22.362 4.242 1.00 45.21 C ATOM 714 OD1 ASP A 836 16.927 -23.354 3.498 1.00 0.31 O ATOM 715 OD2 ASP A 836 16.822 -21.146 3.820 1.00 2.43 O ATOM 0 H ASP A 836 15.127 -23.870 4.776 1.00 10.13 H new ATOM 0 HA ASP A 836 15.815 -23.128 7.461 1.00 60.30 H new ATOM 0 HB2 ASP A 836 17.453 -21.623 6.178 1.00 33.12 H new ATOM 0 HB3 ASP A 836 17.640 -23.355 5.994 1.00 33.12 H new ATOM 721 N ALA A 837 13.924 -21.253 5.646 1.00 41.32 N ATOM 722 CA ALA A 837 13.145 -20.028 5.586 1.00 14.20 C ATOM 723 C ALA A 837 12.360 -19.864 6.889 1.00 14.00 C ATOM 724 O ALA A 837 12.158 -18.746 7.360 1.00 1.31 O ATOM 725 CB ALA A 837 12.234 -20.062 4.357 1.00 10.50 C ATOM 0 H ALA A 837 13.644 -21.970 4.977 1.00 41.32 H new ATOM 0 HA ALA A 837 13.799 -19.162 5.483 1.00 14.20 H new ATOM 0 HB1 ALA A 837 11.649 -19.143 4.312 1.00 10.50 H new ATOM 0 HB2 ALA A 837 12.841 -20.150 3.456 1.00 10.50 H new ATOM 0 HB3 ALA A 837 11.561 -20.917 4.426 1.00 10.50 H new ATOM 731 N PHE A 838 11.938 -20.995 7.435 1.00 73.35 N ATOM 732 CA PHE A 838 11.179 -20.991 8.674 1.00 62.21 C ATOM 733 C PHE A 838 12.110 -20.919 9.886 1.00 20.42 C ATOM 734 O PHE A 838 11.691 -20.524 10.973 1.00 75.22 O ATOM 735 CB PHE A 838 10.397 -22.305 8.724 1.00 72.03 C ATOM 736 CG PHE A 838 9.797 -22.620 10.096 1.00 70.45 C ATOM 737 CD1 PHE A 838 8.675 -21.975 10.512 1.00 52.32 C ATOM 738 CD2 PHE A 838 10.386 -23.547 10.899 1.00 41.35 C ATOM 739 CE1 PHE A 838 8.118 -22.268 11.785 1.00 41.51 C ATOM 740 CE2 PHE A 838 9.829 -23.839 12.172 1.00 64.44 C ATOM 741 CZ PHE A 838 8.707 -23.194 12.588 1.00 42.31 C ATOM 0 H PHE A 838 12.107 -21.921 7.042 1.00 73.35 H new ATOM 0 HA PHE A 838 10.519 -20.124 8.704 1.00 62.21 H new ATOM 0 HB2 PHE A 838 9.594 -22.266 7.988 1.00 72.03 H new ATOM 0 HB3 PHE A 838 11.058 -23.121 8.432 1.00 72.03 H new ATOM 0 HD1 PHE A 838 8.207 -21.240 9.874 1.00 52.32 H new ATOM 0 HD2 PHE A 838 11.277 -24.060 10.568 1.00 41.35 H new ATOM 0 HE1 PHE A 838 7.227 -21.755 12.115 1.00 41.51 H new ATOM 0 HE2 PHE A 838 10.297 -24.574 12.810 1.00 64.44 H new ATOM 0 HZ PHE A 838 8.283 -23.417 13.556 1.00 42.31 H new ATOM 751 N LYS A 839 13.356 -21.308 9.659 1.00 2.21 N ATOM 752 CA LYS A 839 14.350 -21.292 10.719 1.00 32.51 C ATOM 753 C LYS A 839 14.526 -19.860 11.227 1.00 53.13 C ATOM 754 O LYS A 839 14.768 -19.643 12.413 1.00 63.21 O ATOM 755 CB LYS A 839 15.652 -21.940 10.243 1.00 75.32 C ATOM 756 CG LYS A 839 15.506 -23.461 10.151 1.00 12.33 C ATOM 757 CD LYS A 839 16.876 -24.141 10.112 1.00 35.43 C ATOM 758 CE LYS A 839 16.770 -25.554 9.533 1.00 14.43 C ATOM 759 NZ LYS A 839 17.974 -26.344 9.872 1.00 30.31 N ATOM 0 H LYS A 839 13.700 -21.636 8.757 1.00 2.21 H new ATOM 0 HA LYS A 839 14.013 -21.891 11.565 1.00 32.51 H new ATOM 0 HB2 LYS A 839 15.927 -21.538 9.268 1.00 75.32 H new ATOM 0 HB3 LYS A 839 16.460 -21.690 10.931 1.00 75.32 H new ATOM 0 HG2 LYS A 839 14.938 -23.828 11.006 1.00 12.33 H new ATOM 0 HG3 LYS A 839 14.940 -23.722 9.257 1.00 12.33 H new ATOM 0 HD2 LYS A 839 17.564 -23.548 9.509 1.00 35.43 H new ATOM 0 HD3 LYS A 839 17.292 -24.187 11.118 1.00 35.43 H new ATOM 0 HE2 LYS A 839 15.881 -26.048 9.925 1.00 14.43 H new ATOM 0 HE3 LYS A 839 16.655 -25.502 8.450 1.00 14.43 H new ATOM 0 HZ1 LYS A 839 18.047 -27.158 9.229 1.00 30.31 H new ATOM 0 HZ2 LYS A 839 18.820 -25.747 9.773 1.00 30.31 H new ATOM 0 HZ3 LYS A 839 17.902 -26.682 10.853 1.00 30.31 H new ATOM 772 N GLU A 840 14.397 -18.919 10.303 1.00 14.20 N ATOM 773 CA GLU A 840 14.538 -17.513 10.642 1.00 3.00 C ATOM 774 C GLU A 840 13.197 -16.941 11.107 1.00 25.54 C ATOM 775 O GLU A 840 13.132 -15.806 11.576 1.00 73.11 O ATOM 776 CB GLU A 840 15.093 -16.717 9.459 1.00 54.20 C ATOM 777 CG GLU A 840 14.225 -16.910 8.214 1.00 40.24 C ATOM 778 CD GLU A 840 14.339 -15.707 7.274 1.00 32.25 C ATOM 779 OE1 GLU A 840 14.947 -15.816 6.199 1.00 15.31 O ATOM 780 OE2 GLU A 840 13.767 -14.630 7.696 1.00 70.42 O ATOM 0 H GLU A 840 14.196 -19.103 9.320 1.00 14.20 H new ATOM 0 HA GLU A 840 15.251 -17.427 11.462 1.00 3.00 H new ATOM 0 HB2 GLU A 840 15.136 -15.659 9.716 1.00 54.20 H new ATOM 0 HB3 GLU A 840 16.114 -17.036 9.248 1.00 54.20 H new ATOM 0 HG2 GLU A 840 14.531 -17.816 7.690 1.00 40.24 H new ATOM 0 HG3 GLU A 840 13.185 -17.048 8.509 1.00 40.24 H new ATOM 788 N CYS A 841 12.162 -17.755 10.962 1.00 15.52 N ATOM 789 CA CYS A 841 10.826 -17.344 11.362 1.00 62.02 C ATOM 790 C CYS A 841 10.708 -17.504 12.879 1.00 43.12 C ATOM 791 O CYS A 841 9.958 -16.776 13.527 1.00 40.21 O ATOM 792 CB CYS A 841 9.746 -18.133 10.619 1.00 11.02 C ATOM 793 SG CYS A 841 9.666 -17.593 8.873 1.00 53.34 S ATOM 0 H CYS A 841 12.221 -18.696 10.574 1.00 15.52 H new ATOM 0 HA CYS A 841 10.669 -16.299 11.095 1.00 62.02 H new ATOM 0 HB2 CYS A 841 9.964 -19.200 10.669 1.00 11.02 H new ATOM 0 HB3 CYS A 841 8.779 -17.983 11.099 1.00 11.02 H new ATOM 0 HG CYS A 841 10.715 -18.024 8.237 1.00 53.34 H new ATOM 799 N PHE A 842 11.461 -18.461 13.401 1.00 32.12 N ATOM 800 CA PHE A 842 11.450 -18.726 14.830 1.00 42.31 C ATOM 801 C PHE A 842 12.874 -18.778 15.388 1.00 33.44 C ATOM 802 O PHE A 842 13.829 -18.432 14.696 1.00 63.33 O ATOM 803 CB PHE A 842 10.787 -20.090 15.027 1.00 31.20 C ATOM 804 CG PHE A 842 11.773 -21.258 15.090 1.00 22.33 C ATOM 805 CD1 PHE A 842 12.386 -21.693 13.957 1.00 41.24 C ATOM 806 CD2 PHE A 842 12.037 -21.862 16.280 1.00 10.11 C ATOM 807 CE1 PHE A 842 13.301 -22.777 14.015 1.00 4.23 C ATOM 808 CE2 PHE A 842 12.952 -22.946 16.339 1.00 43.03 C ATOM 809 CZ PHE A 842 13.565 -23.381 15.205 1.00 2.50 C ATOM 0 H PHE A 842 12.083 -19.062 12.860 1.00 32.12 H new ATOM 0 HA PHE A 842 10.913 -17.934 15.352 1.00 42.31 H new ATOM 0 HB2 PHE A 842 10.204 -20.070 15.948 1.00 31.20 H new ATOM 0 HB3 PHE A 842 10.086 -20.263 14.210 1.00 31.20 H new ATOM 0 HD1 PHE A 842 12.177 -21.214 13.012 1.00 41.24 H new ATOM 0 HD2 PHE A 842 11.550 -21.517 17.180 1.00 10.11 H new ATOM 0 HE1 PHE A 842 13.787 -23.122 13.115 1.00 4.23 H new ATOM 0 HE2 PHE A 842 13.161 -23.425 17.284 1.00 43.03 H new ATOM 0 HZ PHE A 842 14.261 -24.206 15.250 1.00 2.50 H new ATOM 819 N VAL A 843 12.970 -19.214 16.636 1.00 71.11 N ATOM 820 CA VAL A 843 14.261 -19.317 17.295 1.00 14.54 C ATOM 821 C VAL A 843 14.206 -20.430 18.344 1.00 51.33 C ATOM 822 O VAL A 843 13.142 -20.987 18.608 1.00 54.13 O ATOM 823 CB VAL A 843 14.657 -17.961 17.883 1.00 11.34 C ATOM 824 CG1 VAL A 843 14.286 -16.821 16.932 1.00 34.24 C ATOM 825 CG2 VAL A 843 14.023 -17.754 19.261 1.00 65.13 C ATOM 0 H VAL A 843 12.175 -19.500 17.208 1.00 71.11 H new ATOM 0 HA VAL A 843 15.036 -19.585 16.577 1.00 14.54 H new ATOM 0 HB VAL A 843 15.740 -17.954 18.008 1.00 11.34 H new ATOM 0 HG11 VAL A 843 14.578 -15.869 17.374 1.00 34.24 H new ATOM 0 HG12 VAL A 843 14.805 -16.955 15.983 1.00 34.24 H new ATOM 0 HG13 VAL A 843 13.210 -16.826 16.760 1.00 34.24 H new ATOM 0 HG21 VAL A 843 14.321 -16.783 19.656 1.00 65.13 H new ATOM 0 HG22 VAL A 843 12.937 -17.792 19.171 1.00 65.13 H new ATOM 0 HG23 VAL A 843 14.359 -18.540 19.938 1.00 65.13 H new ATOM 835 N SER A 844 15.367 -20.720 18.913 1.00 75.43 N ATOM 836 CA SER A 844 15.464 -21.757 19.926 1.00 23.12 C ATOM 837 C SER A 844 16.528 -21.380 20.959 1.00 24.40 C ATOM 838 O SER A 844 17.645 -21.011 20.599 1.00 61.32 O ATOM 839 CB SER A 844 15.791 -23.113 19.297 1.00 4.14 C ATOM 840 OG SER A 844 16.322 -24.030 20.251 1.00 50.51 O ATOM 0 H SER A 844 16.248 -20.255 18.692 1.00 75.43 H new ATOM 0 HA SER A 844 14.498 -21.842 20.423 1.00 23.12 H new ATOM 0 HB2 SER A 844 14.889 -23.534 18.853 1.00 4.14 H new ATOM 0 HB3 SER A 844 16.509 -22.974 18.489 1.00 4.14 H new ATOM 0 HG SER A 844 16.516 -24.884 19.811 1.00 50.51 H new ATOM 846 N ARG A 845 16.145 -21.487 22.223 1.00 55.34 N ATOM 847 CA ARG A 845 17.052 -21.162 23.310 1.00 13.22 C ATOM 848 C ARG A 845 17.272 -22.386 24.201 1.00 64.00 C ATOM 849 O ARG A 845 16.378 -23.217 24.353 1.00 2.32 O ATOM 850 CB ARG A 845 16.504 -20.013 24.160 1.00 71.50 C ATOM 851 CG ARG A 845 15.662 -19.058 23.312 1.00 11.55 C ATOM 852 CD ARG A 845 16.523 -18.353 22.262 1.00 10.43 C ATOM 853 NE ARG A 845 17.764 -17.841 22.886 1.00 71.23 N ATOM 854 CZ ARG A 845 17.859 -16.652 23.518 1.00 32.44 C ATOM 855 NH1 ARG A 845 16.784 -15.841 23.617 1.00 43.02 N ATOM 856 NH2 ARG A 845 19.018 -16.295 24.039 1.00 31.23 N ATOM 0 H ARG A 845 15.218 -21.794 22.518 1.00 55.34 H new ATOM 0 HA ARG A 845 18.000 -20.853 22.870 1.00 13.22 H new ATOM 0 HB2 ARG A 845 15.898 -20.414 24.973 1.00 71.50 H new ATOM 0 HB3 ARG A 845 17.330 -19.468 24.617 1.00 71.50 H new ATOM 0 HG2 ARG A 845 14.863 -19.612 22.820 1.00 11.55 H new ATOM 0 HG3 ARG A 845 15.187 -18.317 23.955 1.00 11.55 H new ATOM 0 HD2 ARG A 845 16.770 -19.046 21.457 1.00 10.43 H new ATOM 0 HD3 ARG A 845 15.965 -17.530 21.815 1.00 10.43 H new ATOM 0 HE ARG A 845 18.600 -18.423 22.835 1.00 71.23 H new ATOM 0 HH11 ARG A 845 15.892 -16.125 23.213 1.00 43.02 H new ATOM 0 HH12 ARG A 845 16.864 -14.944 24.096 1.00 43.02 H new ATOM 0 HH21 ARG A 845 19.825 -16.914 23.961 1.00 31.23 H new ATOM 0 HH22 ARG A 845 19.107 -15.400 24.520 1.00 31.23 H new ATOM 869 N PRO A 846 18.500 -22.461 24.781 1.00 1.13 N ATOM 870 CA PRO A 846 18.850 -23.570 25.653 1.00 54.42 C ATOM 871 C PRO A 846 18.175 -23.428 27.019 1.00 54.45 C ATOM 872 O PRO A 846 18.553 -22.571 27.816 1.00 51.32 O ATOM 873 CB PRO A 846 20.367 -23.543 25.735 1.00 42.54 C ATOM 874 CG PRO A 846 20.784 -22.151 25.288 1.00 12.52 C ATOM 875 CD PRO A 846 19.584 -21.496 24.624 1.00 40.53 C ATOM 0 HA PRO A 846 18.502 -24.530 25.272 1.00 54.42 H new ATOM 0 HB2 PRO A 846 20.707 -23.745 26.751 1.00 42.54 H new ATOM 0 HB3 PRO A 846 20.806 -24.307 25.094 1.00 42.54 H new ATOM 0 HG2 PRO A 846 21.118 -21.560 26.141 1.00 12.52 H new ATOM 0 HG3 PRO A 846 21.621 -22.208 24.592 1.00 12.52 H new ATOM 0 HD2 PRO A 846 19.339 -20.545 25.098 1.00 40.53 H new ATOM 0 HD3 PRO A 846 19.779 -21.287 23.572 1.00 40.53 H new ATOM 883 N HIS A 847 17.187 -24.281 27.246 1.00 10.24 N ATOM 884 CA HIS A 847 16.456 -24.261 28.502 1.00 72.31 C ATOM 885 C HIS A 847 15.866 -25.647 28.774 1.00 4.31 C ATOM 886 O HIS A 847 14.648 -25.811 28.811 1.00 10.21 O ATOM 887 CB HIS A 847 15.397 -23.157 28.497 1.00 72.03 C ATOM 888 CG HIS A 847 15.095 -22.589 29.863 1.00 32.41 C ATOM 889 ND1 HIS A 847 15.461 -21.309 30.241 1.00 72.23 N ATOM 890 CD2 HIS A 847 14.458 -23.140 30.936 1.00 34.10 C ATOM 891 CE1 HIS A 847 15.058 -21.110 31.487 1.00 41.40 C ATOM 892 NE2 HIS A 847 14.437 -22.246 31.916 1.00 0.43 N ATOM 0 H HIS A 847 16.876 -24.990 26.582 1.00 10.24 H new ATOM 0 HA HIS A 847 17.137 -24.027 29.320 1.00 72.31 H new ATOM 0 HB2 HIS A 847 15.731 -22.350 27.845 1.00 72.03 H new ATOM 0 HB3 HIS A 847 14.477 -23.553 28.068 1.00 72.03 H new ATOM 0 HD2 HIS A 847 14.041 -24.135 30.980 1.00 34.10 H new ATOM 0 HE1 HIS A 847 15.197 -20.207 32.062 1.00 41.40 H new ATOM 0 HE2 HIS A 847 14.024 -22.385 32.838 1.00 0.43 H new ATOM 900 N PRO A 848 16.783 -26.634 28.963 1.00 54.04 N ATOM 901 CA PRO A 848 16.366 -28.000 29.230 1.00 25.13 C ATOM 902 C PRO A 848 15.861 -28.148 30.667 1.00 52.32 C ATOM 903 O PRO A 848 16.431 -27.572 31.592 1.00 42.42 O ATOM 904 CB PRO A 848 17.594 -28.849 28.943 1.00 41.15 C ATOM 905 CG PRO A 848 18.777 -27.895 28.975 1.00 62.04 C ATOM 906 CD PRO A 848 18.234 -26.476 28.926 1.00 74.41 C ATOM 0 HA PRO A 848 15.527 -28.313 28.608 1.00 25.13 H new ATOM 0 HB2 PRO A 848 17.707 -29.637 29.688 1.00 41.15 H new ATOM 0 HB3 PRO A 848 17.513 -29.338 27.972 1.00 41.15 H new ATOM 0 HG2 PRO A 848 19.366 -28.047 29.880 1.00 62.04 H new ATOM 0 HG3 PRO A 848 19.439 -28.080 28.129 1.00 62.04 H new ATOM 0 HD2 PRO A 848 18.590 -25.886 29.771 1.00 74.41 H new ATOM 0 HD3 PRO A 848 18.553 -25.961 28.020 1.00 74.41 H new ATOM 914 N LYS A 849 14.796 -28.923 30.808 1.00 14.25 N ATOM 915 CA LYS A 849 14.207 -29.154 32.117 1.00 53.43 C ATOM 916 C LYS A 849 13.937 -30.649 32.293 1.00 73.31 C ATOM 917 O LYS A 849 13.767 -31.373 31.313 1.00 44.12 O ATOM 918 CB LYS A 849 12.967 -28.278 32.308 1.00 34.10 C ATOM 919 CG LYS A 849 11.710 -28.990 31.803 1.00 52.43 C ATOM 920 CD LYS A 849 10.499 -28.056 31.840 1.00 54.52 C ATOM 921 CE LYS A 849 10.074 -27.766 33.281 1.00 52.33 C ATOM 922 NZ LYS A 849 9.407 -26.447 33.369 1.00 32.42 N ATOM 0 H LYS A 849 14.325 -29.399 30.038 1.00 14.25 H new ATOM 0 HA LYS A 849 14.901 -28.860 32.905 1.00 53.43 H new ATOM 0 HB2 LYS A 849 12.851 -28.031 33.363 1.00 34.10 H new ATOM 0 HB3 LYS A 849 13.096 -27.337 31.773 1.00 34.10 H new ATOM 0 HG2 LYS A 849 11.871 -29.342 30.784 1.00 52.43 H new ATOM 0 HG3 LYS A 849 11.514 -29.869 32.417 1.00 52.43 H new ATOM 0 HD2 LYS A 849 10.740 -27.122 31.333 1.00 54.52 H new ATOM 0 HD3 LYS A 849 9.670 -28.508 31.296 1.00 54.52 H new ATOM 0 HE2 LYS A 849 9.398 -28.546 33.631 1.00 52.33 H new ATOM 0 HE3 LYS A 849 10.946 -27.783 33.934 1.00 52.33 H new ATOM 0 HZ1 LYS A 849 9.125 -26.266 34.353 1.00 32.42 H new ATOM 0 HZ2 LYS A 849 10.064 -25.704 33.055 1.00 32.42 H new ATOM 0 HZ3 LYS A 849 8.563 -26.443 32.761 1.00 32.42 H new ATOM 935 N PRO A 850 13.904 -31.079 33.583 1.00 61.43 N ATOM 936 CA PRO A 850 13.658 -32.476 33.900 1.00 53.30 C ATOM 937 C PRO A 850 12.181 -32.829 33.708 1.00 24.24 C ATOM 938 O PRO A 850 11.316 -31.958 33.781 1.00 43.24 O ATOM 939 CB PRO A 850 14.127 -32.641 35.336 1.00 33.52 C ATOM 940 CG PRO A 850 14.185 -31.239 35.920 1.00 34.33 C ATOM 941 CD PRO A 850 14.100 -30.251 34.769 1.00 44.13 C ATOM 0 HA PRO A 850 14.193 -33.159 33.240 1.00 53.30 H new ATOM 0 HB2 PRO A 850 13.440 -33.271 35.901 1.00 33.52 H new ATOM 0 HB3 PRO A 850 15.105 -33.121 35.375 1.00 33.52 H new ATOM 0 HG2 PRO A 850 13.363 -31.082 36.619 1.00 34.33 H new ATOM 0 HG3 PRO A 850 15.110 -31.096 36.478 1.00 34.33 H new ATOM 0 HD2 PRO A 850 13.273 -29.554 34.906 1.00 44.13 H new ATOM 0 HD3 PRO A 850 15.010 -29.656 34.690 1.00 44.13 H new ATOM 949 N LYS A 851 11.939 -34.109 33.468 1.00 31.42 N ATOM 950 CA LYS A 851 10.582 -34.589 33.266 1.00 42.01 C ATOM 951 C LYS A 851 10.523 -36.085 33.579 1.00 31.32 C ATOM 952 O LYS A 851 11.551 -36.760 33.599 1.00 21.25 O ATOM 953 CB LYS A 851 10.093 -34.235 31.860 1.00 31.11 C ATOM 954 CG LYS A 851 9.794 -32.739 31.744 1.00 31.01 C ATOM 955 CD LYS A 851 8.796 -32.465 30.617 1.00 20.20 C ATOM 956 CE LYS A 851 8.062 -31.142 30.844 1.00 32.22 C ATOM 957 NZ LYS A 851 6.855 -31.355 31.675 1.00 65.11 N ATOM 0 H LYS A 851 12.659 -34.829 33.409 1.00 31.42 H new ATOM 0 HA LYS A 851 9.896 -34.092 33.952 1.00 42.01 H new ATOM 0 HB2 LYS A 851 10.849 -34.516 31.127 1.00 31.11 H new ATOM 0 HB3 LYS A 851 9.195 -34.808 31.628 1.00 31.11 H new ATOM 0 HG2 LYS A 851 9.392 -32.371 32.688 1.00 31.01 H new ATOM 0 HG3 LYS A 851 10.719 -32.193 31.556 1.00 31.01 H new ATOM 0 HD2 LYS A 851 9.320 -32.435 29.662 1.00 20.20 H new ATOM 0 HD3 LYS A 851 8.075 -33.280 30.559 1.00 20.20 H new ATOM 0 HE2 LYS A 851 8.727 -30.430 31.333 1.00 32.22 H new ATOM 0 HE3 LYS A 851 7.779 -30.707 29.885 1.00 32.22 H new ATOM 0 HZ1 LYS A 851 6.368 -30.447 31.820 1.00 65.11 H new ATOM 0 HZ2 LYS A 851 6.215 -32.018 31.194 1.00 65.11 H new ATOM 0 HZ3 LYS A 851 7.133 -31.749 32.596 1.00 65.11 H new ATOM 970 N GLN A 852 9.309 -36.560 33.816 1.00 72.12 N ATOM 971 CA GLN A 852 9.102 -37.964 34.127 1.00 31.31 C ATOM 972 C GLN A 852 8.759 -38.745 32.857 1.00 52.33 C ATOM 973 O GLN A 852 9.532 -39.595 32.419 1.00 71.43 O ATOM 974 CB GLN A 852 8.012 -38.136 35.187 1.00 21.01 C ATOM 975 CG GLN A 852 8.605 -38.086 36.597 1.00 64.14 C ATOM 976 CD GLN A 852 9.364 -36.777 36.826 1.00 33.22 C ATOM 977 OE1 GLN A 852 8.851 -35.689 36.623 1.00 0.21 O ATOM 978 NE2 GLN A 852 10.610 -36.943 37.260 1.00 40.12 N ATOM 0 H GLN A 852 8.459 -35.997 33.799 1.00 72.12 H new ATOM 0 HA GLN A 852 10.029 -38.365 34.537 1.00 31.31 H new ATOM 0 HB2 GLN A 852 7.264 -37.351 35.075 1.00 21.01 H new ATOM 0 HB3 GLN A 852 7.501 -39.087 35.037 1.00 21.01 H new ATOM 0 HG2 GLN A 852 7.808 -38.182 37.334 1.00 64.14 H new ATOM 0 HG3 GLN A 852 9.278 -38.931 36.743 1.00 64.14 H new ATOM 0 HE21 GLN A 852 10.977 -37.883 37.409 1.00 40.12 H new ATOM 0 HE22 GLN A 852 11.199 -36.130 37.444 1.00 40.12 H new ATOM 987 N PHE A 853 7.599 -38.427 32.301 1.00 71.44 N ATOM 988 CA PHE A 853 7.144 -39.088 31.089 1.00 21.31 C ATOM 989 C PHE A 853 6.536 -38.082 30.110 1.00 10.55 C ATOM 990 O PHE A 853 5.850 -37.147 30.522 1.00 72.20 O ATOM 991 CB PHE A 853 6.067 -40.092 31.505 1.00 72.13 C ATOM 992 CG PHE A 853 4.684 -39.470 31.713 1.00 63.51 C ATOM 993 CD1 PHE A 853 4.404 -38.807 32.866 1.00 12.14 C ATOM 994 CD2 PHE A 853 3.736 -39.582 30.744 1.00 11.54 C ATOM 995 CE1 PHE A 853 3.121 -38.230 33.060 1.00 53.04 C ATOM 996 CE2 PHE A 853 2.453 -39.005 30.938 1.00 51.34 C ATOM 997 CZ PHE A 853 2.172 -38.341 32.091 1.00 23.01 C ATOM 0 H PHE A 853 6.961 -37.721 32.667 1.00 71.44 H new ATOM 0 HA PHE A 853 7.984 -39.574 30.593 1.00 21.31 H new ATOM 0 HB2 PHE A 853 5.994 -40.868 30.743 1.00 72.13 H new ATOM 0 HB3 PHE A 853 6.377 -40.580 32.429 1.00 72.13 H new ATOM 0 HD1 PHE A 853 5.157 -38.719 33.635 1.00 12.14 H new ATOM 0 HD2 PHE A 853 3.959 -40.109 29.828 1.00 11.54 H new ATOM 0 HE1 PHE A 853 2.898 -37.703 33.976 1.00 53.04 H new ATOM 0 HE2 PHE A 853 1.700 -39.094 30.169 1.00 51.34 H new ATOM 0 HZ PHE A 853 1.196 -37.902 32.238 1.00 23.01 H new ATOM 1007 N SER A 854 6.810 -38.306 28.834 1.00 73.22 N ATOM 1008 CA SER A 854 6.298 -37.430 27.793 1.00 22.33 C ATOM 1009 C SER A 854 6.648 -37.995 26.415 1.00 34.51 C ATOM 1010 O SER A 854 7.688 -38.630 26.246 1.00 75.21 O ATOM 1011 CB SER A 854 6.856 -36.013 27.943 1.00 73.41 C ATOM 1012 OG SER A 854 6.784 -35.280 26.723 1.00 21.11 O ATOM 0 H SER A 854 7.380 -39.082 28.496 1.00 73.22 H new ATOM 0 HA SER A 854 5.214 -37.377 27.892 1.00 22.33 H new ATOM 0 HB2 SER A 854 6.300 -35.484 28.717 1.00 73.41 H new ATOM 0 HB3 SER A 854 7.893 -36.065 28.274 1.00 73.41 H new ATOM 0 HG SER A 854 7.658 -35.296 26.280 1.00 21.11 H new ATOM 1018 N SER A 855 5.759 -37.744 25.465 1.00 33.33 N ATOM 1019 CA SER A 855 5.960 -38.220 24.107 1.00 30.12 C ATOM 1020 C SER A 855 7.427 -38.054 23.707 1.00 63.23 C ATOM 1021 O SER A 855 8.092 -39.027 23.353 1.00 53.03 O ATOM 1022 CB SER A 855 5.054 -37.477 23.123 1.00 20.14 C ATOM 1023 OG SER A 855 3.675 -37.752 23.356 1.00 41.33 O ATOM 0 H SER A 855 4.898 -37.217 25.609 1.00 33.33 H new ATOM 0 HA SER A 855 5.698 -39.277 24.073 1.00 30.12 H new ATOM 0 HB2 SER A 855 5.229 -36.405 23.207 1.00 20.14 H new ATOM 0 HB3 SER A 855 5.314 -37.763 22.104 1.00 20.14 H new ATOM 0 HG SER A 855 3.129 -37.258 22.709 1.00 41.33 H new ATOM 1029 N PHE A 856 7.890 -36.815 23.776 1.00 52.40 N ATOM 1030 CA PHE A 856 9.266 -36.509 23.425 1.00 3.30 C ATOM 1031 C PHE A 856 9.984 -35.808 24.580 1.00 12.52 C ATOM 1032 O PHE A 856 9.353 -35.415 25.561 1.00 41.04 O ATOM 1033 CB PHE A 856 9.222 -35.566 22.221 1.00 72.12 C ATOM 1034 CG PHE A 856 9.090 -36.282 20.875 1.00 44.22 C ATOM 1035 CD1 PHE A 856 9.830 -37.395 20.621 1.00 13.25 C ATOM 1036 CD2 PHE A 856 8.234 -35.805 19.932 1.00 61.01 C ATOM 1037 CE1 PHE A 856 9.708 -38.059 19.372 1.00 34.24 C ATOM 1038 CE2 PHE A 856 8.112 -36.469 18.683 1.00 60.31 C ATOM 1039 CZ PHE A 856 8.851 -37.582 18.429 1.00 23.34 C ATOM 0 H PHE A 856 7.336 -36.011 24.070 1.00 52.40 H new ATOM 0 HA PHE A 856 9.806 -37.429 23.202 1.00 3.30 H new ATOM 0 HB2 PHE A 856 8.383 -34.880 22.340 1.00 72.12 H new ATOM 0 HB3 PHE A 856 10.129 -34.962 22.212 1.00 72.12 H new ATOM 0 HD1 PHE A 856 10.510 -37.773 21.370 1.00 13.25 H new ATOM 0 HD2 PHE A 856 7.647 -34.921 20.133 1.00 61.01 H new ATOM 0 HE1 PHE A 856 10.295 -38.943 19.170 1.00 34.24 H new ATOM 0 HE2 PHE A 856 7.432 -36.090 17.934 1.00 60.31 H new ATOM 0 HZ PHE A 856 8.758 -38.087 17.479 1.00 23.34 H new ATOM 1049 N GLU A 857 11.293 -35.672 24.426 1.00 13.43 N ATOM 1050 CA GLU A 857 12.103 -35.025 25.444 1.00 12.35 C ATOM 1051 C GLU A 857 12.679 -33.712 24.910 1.00 61.25 C ATOM 1052 O GLU A 857 13.699 -33.713 24.221 1.00 14.44 O ATOM 1053 CB GLU A 857 13.216 -35.954 25.932 1.00 62.14 C ATOM 1054 CG GLU A 857 13.868 -36.690 24.759 1.00 21.24 C ATOM 1055 CD GLU A 857 15.320 -37.051 25.078 1.00 24.32 C ATOM 1056 OE1 GLU A 857 15.658 -37.287 26.248 1.00 42.31 O ATOM 1057 OE2 GLU A 857 16.110 -37.084 24.059 1.00 64.10 O ATOM 0 H GLU A 857 11.813 -35.999 23.611 1.00 13.43 H new ATOM 0 HA GLU A 857 11.464 -34.798 26.298 1.00 12.35 H new ATOM 0 HB2 GLU A 857 13.969 -35.376 26.467 1.00 62.14 H new ATOM 0 HB3 GLU A 857 12.808 -36.677 26.638 1.00 62.14 H new ATOM 0 HG2 GLU A 857 13.305 -37.596 24.535 1.00 21.24 H new ATOM 0 HG3 GLU A 857 13.832 -36.064 23.867 1.00 21.24 H new ATOM 1065 N LYS A 858 12.001 -32.625 25.246 1.00 3.31 N ATOM 1066 CA LYS A 858 12.433 -31.308 24.808 1.00 22.22 C ATOM 1067 C LYS A 858 13.534 -30.801 25.742 1.00 42.34 C ATOM 1068 O LYS A 858 13.390 -30.852 26.962 1.00 5.22 O ATOM 1069 CB LYS A 858 11.237 -30.361 24.697 1.00 74.33 C ATOM 1070 CG LYS A 858 10.754 -29.922 26.081 1.00 70.43 C ATOM 1071 CD LYS A 858 9.251 -29.638 26.072 1.00 13.13 C ATOM 1072 CE LYS A 858 8.667 -29.734 27.483 1.00 12.33 C ATOM 1073 NZ LYS A 858 7.274 -29.234 27.503 1.00 51.33 N ATOM 0 H LYS A 858 11.155 -32.629 25.816 1.00 3.31 H new ATOM 0 HA LYS A 858 12.862 -31.361 23.807 1.00 22.22 H new ATOM 0 HB2 LYS A 858 11.515 -29.485 24.111 1.00 74.33 H new ATOM 0 HB3 LYS A 858 10.425 -30.856 24.165 1.00 74.33 H new ATOM 0 HG2 LYS A 858 10.976 -30.700 26.811 1.00 70.43 H new ATOM 0 HG3 LYS A 858 11.295 -29.028 26.392 1.00 70.43 H new ATOM 0 HD2 LYS A 858 9.068 -28.643 25.665 1.00 13.13 H new ATOM 0 HD3 LYS A 858 8.747 -30.348 25.417 1.00 13.13 H new ATOM 0 HE2 LYS A 858 8.693 -30.769 27.824 1.00 12.33 H new ATOM 0 HE3 LYS A 858 9.277 -29.155 28.176 1.00 12.33 H new ATOM 0 HZ1 LYS A 858 6.893 -29.306 28.468 1.00 51.33 H new ATOM 0 HZ2 LYS A 858 7.258 -28.240 27.198 1.00 51.33 H new ATOM 0 HZ3 LYS A 858 6.691 -29.804 26.857 1.00 51.33 H new ATOM 1086 N ARG A 859 14.609 -30.323 25.132 1.00 52.51 N ATOM 1087 CA ARG A 859 15.734 -29.806 25.893 1.00 33.22 C ATOM 1088 C ARG A 859 16.112 -28.408 25.399 1.00 30.43 C ATOM 1089 O ARG A 859 17.214 -27.930 25.664 1.00 14.43 O ATOM 1090 CB ARG A 859 16.949 -30.728 25.774 1.00 51.01 C ATOM 1091 CG ARG A 859 16.859 -31.886 26.770 1.00 53.01 C ATOM 1092 CD ARG A 859 17.937 -32.935 26.491 1.00 44.51 C ATOM 1093 NE ARG A 859 19.273 -32.383 26.810 1.00 64.42 N ATOM 1094 CZ ARG A 859 19.760 -32.256 28.063 1.00 50.54 C ATOM 1095 NH1 ARG A 859 19.023 -32.639 29.126 1.00 33.15 N ATOM 1096 NH2 ARG A 859 20.967 -31.750 28.232 1.00 44.33 N ATOM 0 H ARG A 859 14.725 -30.283 24.119 1.00 52.51 H new ATOM 0 HA ARG A 859 15.432 -29.755 26.939 1.00 33.22 H new ATOM 0 HB2 ARG A 859 17.014 -31.121 24.759 1.00 51.01 H new ATOM 0 HB3 ARG A 859 17.861 -30.159 25.954 1.00 51.01 H new ATOM 0 HG2 ARG A 859 16.971 -31.506 27.786 1.00 53.01 H new ATOM 0 HG3 ARG A 859 15.873 -32.347 26.709 1.00 53.01 H new ATOM 0 HD2 ARG A 859 17.751 -33.828 27.088 1.00 44.51 H new ATOM 0 HD3 ARG A 859 17.900 -33.238 25.445 1.00 44.51 H new ATOM 0 HE ARG A 859 19.863 -32.080 26.035 1.00 64.42 H new ATOM 0 HH11 ARG A 859 18.090 -33.028 28.987 1.00 33.15 H new ATOM 0 HH12 ARG A 859 19.398 -32.540 30.069 1.00 33.15 H new ATOM 0 HH21 ARG A 859 21.517 -31.462 27.423 1.00 44.33 H new ATOM 0 HH22 ARG A 859 21.350 -31.647 29.172 1.00 44.33 H new ATOM 1109 N ALA A 860 15.177 -27.793 24.690 1.00 23.10 N ATOM 1110 CA ALA A 860 15.399 -26.460 24.157 1.00 52.32 C ATOM 1111 C ALA A 860 14.060 -25.859 23.725 1.00 53.05 C ATOM 1112 O ALA A 860 13.358 -26.432 22.893 1.00 51.14 O ATOM 1113 CB ALA A 860 16.405 -26.531 23.006 1.00 14.40 C ATOM 0 H ALA A 860 14.264 -28.193 24.472 1.00 23.10 H new ATOM 0 HA ALA A 860 15.823 -25.807 24.920 1.00 52.32 H new ATOM 0 HB1 ALA A 860 16.572 -25.531 22.606 1.00 14.40 H new ATOM 0 HB2 ALA A 860 17.348 -26.937 23.372 1.00 14.40 H new ATOM 0 HB3 ALA A 860 16.013 -27.176 22.219 1.00 14.40 H new ATOM 1119 N LYS A 861 13.746 -24.712 24.309 1.00 32.32 N ATOM 1120 CA LYS A 861 12.503 -24.028 23.995 1.00 42.41 C ATOM 1121 C LYS A 861 12.645 -23.315 22.648 1.00 21.04 C ATOM 1122 O LYS A 861 13.754 -23.152 22.142 1.00 61.41 O ATOM 1123 CB LYS A 861 12.098 -23.100 25.142 1.00 12.20 C ATOM 1124 CG LYS A 861 11.254 -23.845 26.178 1.00 73.11 C ATOM 1125 CD LYS A 861 12.052 -24.982 26.820 1.00 15.20 C ATOM 1126 CE LYS A 861 11.180 -25.784 27.788 1.00 22.24 C ATOM 1127 NZ LYS A 861 10.888 -24.990 29.003 1.00 41.14 N ATOM 0 H LYS A 861 14.331 -24.239 24.998 1.00 32.32 H new ATOM 0 HA LYS A 861 11.688 -24.745 23.893 1.00 42.41 H new ATOM 0 HB2 LYS A 861 12.990 -22.694 25.619 1.00 12.20 H new ATOM 0 HB3 LYS A 861 11.534 -22.254 24.748 1.00 12.20 H new ATOM 0 HG2 LYS A 861 10.920 -23.150 26.948 1.00 73.11 H new ATOM 0 HG3 LYS A 861 10.359 -24.247 25.702 1.00 73.11 H new ATOM 0 HD2 LYS A 861 12.442 -25.641 26.044 1.00 15.20 H new ATOM 0 HD3 LYS A 861 12.911 -24.573 27.352 1.00 15.20 H new ATOM 0 HE2 LYS A 861 10.248 -26.066 27.298 1.00 22.24 H new ATOM 0 HE3 LYS A 861 11.688 -26.708 28.064 1.00 22.24 H new ATOM 0 HZ1 LYS A 861 11.067 -25.569 29.848 1.00 41.14 H new ATOM 0 HZ2 LYS A 861 11.500 -24.149 29.024 1.00 41.14 H new ATOM 0 HZ3 LYS A 861 9.891 -24.693 28.992 1.00 41.14 H new ATOM 1140 N ILE A 862 11.506 -22.909 22.107 1.00 30.11 N ATOM 1141 CA ILE A 862 11.489 -22.218 20.829 1.00 2.31 C ATOM 1142 C ILE A 862 10.535 -21.025 20.912 1.00 11.31 C ATOM 1143 O ILE A 862 9.433 -21.143 21.446 1.00 50.33 O ATOM 1144 CB ILE A 862 11.158 -23.192 19.697 1.00 25.30 C ATOM 1145 CG1 ILE A 862 9.648 -23.406 19.582 1.00 72.25 C ATOM 1146 CG2 ILE A 862 11.913 -24.512 19.872 1.00 75.11 C ATOM 1147 CD1 ILE A 862 9.037 -22.457 18.549 1.00 41.22 C ATOM 0 H ILE A 862 10.588 -23.045 22.530 1.00 30.11 H new ATOM 0 HA ILE A 862 12.478 -21.821 20.598 1.00 2.31 H new ATOM 0 HB ILE A 862 11.493 -22.751 18.758 1.00 25.30 H new ATOM 0 HG12 ILE A 862 9.444 -24.438 19.298 1.00 72.25 H new ATOM 0 HG13 ILE A 862 9.179 -23.244 20.552 1.00 72.25 H new ATOM 0 HG21 ILE A 862 11.660 -25.187 19.054 1.00 75.11 H new ATOM 0 HG22 ILE A 862 12.986 -24.321 19.866 1.00 75.11 H new ATOM 0 HG23 ILE A 862 11.631 -24.969 20.820 1.00 75.11 H new ATOM 0 HD11 ILE A 862 7.963 -22.630 18.487 1.00 41.22 H new ATOM 0 HD12 ILE A 862 9.222 -21.425 18.849 1.00 41.22 H new ATOM 0 HD13 ILE A 862 9.491 -22.639 17.575 1.00 41.22 H new ATOM 1159 N PHE A 863 10.993 -19.903 20.376 1.00 10.02 N ATOM 1160 CA PHE A 863 10.194 -18.689 20.383 1.00 72.51 C ATOM 1161 C PHE A 863 10.203 -18.019 19.007 1.00 31.35 C ATOM 1162 O PHE A 863 10.905 -18.464 18.101 1.00 63.11 O ATOM 1163 CB PHE A 863 10.828 -17.742 21.403 1.00 40.10 C ATOM 1164 CG PHE A 863 11.052 -18.370 22.780 1.00 11.32 C ATOM 1165 CD1 PHE A 863 9.995 -18.588 23.608 1.00 2.31 C ATOM 1166 CD2 PHE A 863 12.308 -18.710 23.176 1.00 13.25 C ATOM 1167 CE1 PHE A 863 10.203 -19.170 24.886 1.00 31.43 C ATOM 1168 CE2 PHE A 863 12.515 -19.292 24.455 1.00 64.54 C ATOM 1169 CZ PHE A 863 11.459 -19.511 25.283 1.00 52.55 C ATOM 0 H PHE A 863 11.907 -19.809 19.934 1.00 10.02 H new ATOM 0 HA PHE A 863 9.160 -18.925 20.635 1.00 72.51 H new ATOM 0 HB2 PHE A 863 11.785 -17.393 21.014 1.00 40.10 H new ATOM 0 HB3 PHE A 863 10.190 -16.865 21.514 1.00 40.10 H new ATOM 0 HD1 PHE A 863 8.998 -18.318 23.293 1.00 2.31 H new ATOM 0 HD2 PHE A 863 13.147 -18.538 22.518 1.00 13.25 H new ATOM 0 HE1 PHE A 863 9.364 -19.342 25.544 1.00 31.43 H new ATOM 0 HE2 PHE A 863 13.512 -19.561 24.770 1.00 64.54 H new ATOM 0 HZ PHE A 863 11.617 -19.955 26.255 1.00 52.55 H new ATOM 1179 N CYS A 864 9.415 -16.960 18.895 1.00 34.34 N ATOM 1180 CA CYS A 864 9.323 -16.224 17.646 1.00 61.42 C ATOM 1181 C CYS A 864 10.596 -15.391 17.485 1.00 61.24 C ATOM 1182 O CYS A 864 11.091 -14.815 18.452 1.00 44.53 O ATOM 1183 CB CYS A 864 8.063 -15.358 17.591 1.00 62.14 C ATOM 1184 SG CYS A 864 7.720 -14.862 15.863 1.00 43.41 S ATOM 0 H CYS A 864 8.834 -16.594 19.649 1.00 34.34 H new ATOM 0 HA CYS A 864 9.240 -16.923 16.814 1.00 61.42 H new ATOM 0 HB2 CYS A 864 7.214 -15.910 17.995 1.00 62.14 H new ATOM 0 HB3 CYS A 864 8.193 -14.473 18.213 1.00 62.14 H new ATOM 0 HG CYS A 864 6.939 -15.740 15.306 1.00 43.41 H new ATOM 1190 N ALA A 865 11.089 -15.355 16.256 1.00 45.54 N ATOM 1191 CA ALA A 865 12.295 -14.602 15.955 1.00 3.53 C ATOM 1192 C ALA A 865 11.956 -13.112 15.881 1.00 12.53 C ATOM 1193 O ALA A 865 12.845 -12.264 15.953 1.00 73.34 O ATOM 1194 CB ALA A 865 12.914 -15.124 14.657 1.00 54.21 C ATOM 0 H ALA A 865 10.675 -15.835 15.457 1.00 45.54 H new ATOM 0 HA ALA A 865 13.035 -14.733 16.744 1.00 3.53 H new ATOM 0 HB1 ALA A 865 13.818 -14.559 14.432 1.00 54.21 H new ATOM 0 HB2 ALA A 865 13.164 -16.179 14.772 1.00 54.21 H new ATOM 0 HB3 ALA A 865 12.201 -15.007 13.841 1.00 54.21 H new ATOM 1200 N ARG A 866 10.667 -12.837 15.739 1.00 24.23 N ATOM 1201 CA ARG A 866 10.199 -11.464 15.655 1.00 64.22 C ATOM 1202 C ARG A 866 10.672 -10.666 16.872 1.00 62.52 C ATOM 1203 O ARG A 866 11.255 -11.228 17.798 1.00 1.21 O ATOM 1204 CB ARG A 866 8.672 -11.407 15.578 1.00 45.43 C ATOM 1205 CG ARG A 866 8.166 -12.023 14.272 1.00 12.01 C ATOM 1206 CD ARG A 866 8.417 -11.085 13.089 1.00 22.54 C ATOM 1207 NE ARG A 866 9.738 -11.373 12.488 1.00 44.13 N ATOM 1208 CZ ARG A 866 10.353 -10.571 11.593 1.00 41.24 C ATOM 1209 NH1 ARG A 866 9.770 -9.423 11.187 1.00 14.12 N ATOM 1210 NH2 ARG A 866 11.533 -10.926 11.120 1.00 42.24 N ATOM 0 H ARG A 866 9.932 -13.542 15.680 1.00 24.23 H new ATOM 0 HA ARG A 866 10.614 -11.027 14.747 1.00 64.22 H new ATOM 0 HB2 ARG A 866 8.241 -11.939 16.426 1.00 45.43 H new ATOM 0 HB3 ARG A 866 8.339 -10.372 15.649 1.00 45.43 H new ATOM 0 HG2 ARG A 866 8.666 -12.976 14.098 1.00 12.01 H new ATOM 0 HG3 ARG A 866 7.100 -12.233 14.354 1.00 12.01 H new ATOM 0 HD2 ARG A 866 7.633 -11.210 12.342 1.00 22.54 H new ATOM 0 HD3 ARG A 866 8.378 -10.048 13.422 1.00 22.54 H new ATOM 0 HE ARG A 866 10.214 -12.231 12.767 1.00 44.13 H new ATOM 0 HH11 ARG A 866 8.858 -9.156 11.557 1.00 14.12 H new ATOM 0 HH12 ARG A 866 10.242 -8.823 10.510 1.00 14.12 H new ATOM 0 HH21 ARG A 866 11.967 -11.795 11.431 1.00 42.24 H new ATOM 0 HH22 ARG A 866 12.011 -10.331 10.443 1.00 42.24 H new ATOM 1223 N GLN A 867 10.403 -9.370 16.830 1.00 4.22 N ATOM 1224 CA GLN A 867 10.794 -8.489 17.918 1.00 21.21 C ATOM 1225 C GLN A 867 10.400 -9.101 19.264 1.00 62.21 C ATOM 1226 O GLN A 867 11.108 -8.935 20.256 1.00 15.43 O ATOM 1227 CB GLN A 867 10.178 -7.099 17.747 1.00 61.34 C ATOM 1228 CG GLN A 867 10.924 -6.061 18.588 1.00 72.52 C ATOM 1229 CD GLN A 867 10.081 -4.798 18.773 1.00 44.45 C ATOM 1230 OE1 GLN A 867 8.914 -4.742 18.422 1.00 42.33 O ATOM 1231 NE2 GLN A 867 10.736 -3.789 19.341 1.00 21.45 N ATOM 0 H GLN A 867 9.919 -8.908 16.060 1.00 4.22 H new ATOM 0 HA GLN A 867 11.878 -8.375 17.895 1.00 21.21 H new ATOM 0 HB2 GLN A 867 10.208 -6.811 16.696 1.00 61.34 H new ATOM 0 HB3 GLN A 867 9.129 -7.124 18.041 1.00 61.34 H new ATOM 0 HG2 GLN A 867 11.169 -6.485 19.562 1.00 72.52 H new ATOM 0 HG3 GLN A 867 11.867 -5.806 18.105 1.00 72.52 H new ATOM 0 HE21 GLN A 867 11.713 -3.903 19.611 1.00 21.45 H new ATOM 0 HE22 GLN A 867 10.261 -2.902 19.507 1.00 21.45 H new ATOM 1240 N ASN A 868 9.273 -9.797 19.254 1.00 13.12 N ATOM 1241 CA ASN A 868 8.776 -10.435 20.462 1.00 43.42 C ATOM 1242 C ASN A 868 9.689 -11.608 20.826 1.00 55.23 C ATOM 1243 O ASN A 868 9.995 -12.446 19.979 1.00 31.24 O ATOM 1244 CB ASN A 868 7.363 -10.982 20.255 1.00 54.54 C ATOM 1245 CG ASN A 868 6.373 -9.850 19.973 1.00 15.52 C ATOM 1246 OD1 ASN A 868 5.767 -9.768 18.917 1.00 34.04 O ATOM 1247 ND2 ASN A 868 6.243 -8.983 20.974 1.00 74.20 N ATOM 0 H ASN A 868 8.689 -9.933 18.429 1.00 13.12 H new ATOM 0 HA ASN A 868 8.760 -9.688 21.256 1.00 43.42 H new ATOM 0 HB2 ASN A 868 7.360 -11.688 19.424 1.00 54.54 H new ATOM 0 HB3 ASN A 868 7.049 -11.532 21.142 1.00 54.54 H new ATOM 0 HD21 ASN A 868 5.606 -8.191 20.884 1.00 74.20 H new ATOM 0 HD22 ASN A 868 6.780 -9.110 21.832 1.00 74.20 H new ATOM 1254 N CYS A 869 10.097 -11.630 22.086 1.00 51.41 N ATOM 1255 CA CYS A 869 10.968 -12.686 22.572 1.00 31.11 C ATOM 1256 C CYS A 869 10.147 -13.606 23.478 1.00 63.41 C ATOM 1257 O CYS A 869 10.508 -14.764 23.683 1.00 23.20 O ATOM 1258 CB CYS A 869 12.194 -12.122 23.292 1.00 1.34 C ATOM 1259 SG CYS A 869 13.492 -11.692 22.076 1.00 53.32 S ATOM 0 H CYS A 869 9.840 -10.933 22.785 1.00 51.41 H new ATOM 0 HA CYS A 869 11.355 -13.258 21.729 1.00 31.11 H new ATOM 0 HB2 CYS A 869 11.914 -11.238 23.865 1.00 1.34 H new ATOM 0 HB3 CYS A 869 12.578 -12.855 24.002 1.00 1.34 H new ATOM 0 HG CYS A 869 14.528 -11.212 22.698 1.00 53.32 H new ATOM 1265 N SER A 870 9.059 -13.057 23.996 1.00 54.22 N ATOM 1266 CA SER A 870 8.184 -13.814 24.875 1.00 51.00 C ATOM 1267 C SER A 870 7.075 -14.483 24.060 1.00 10.02 C ATOM 1268 O SER A 870 5.955 -14.642 24.543 1.00 31.20 O ATOM 1269 CB SER A 870 7.580 -12.917 25.957 1.00 51.30 C ATOM 1270 OG SER A 870 7.040 -13.673 27.037 1.00 14.23 O ATOM 0 H SER A 870 8.763 -12.096 23.824 1.00 54.22 H new ATOM 0 HA SER A 870 8.778 -14.583 25.369 1.00 51.00 H new ATOM 0 HB2 SER A 870 8.346 -12.240 26.336 1.00 51.30 H new ATOM 0 HB3 SER A 870 6.796 -12.299 25.519 1.00 51.30 H new ATOM 0 HG SER A 870 6.422 -14.348 26.687 1.00 14.23 H new ATOM 1276 N HIS A 871 7.426 -14.857 22.838 1.00 14.44 N ATOM 1277 CA HIS A 871 6.474 -15.505 21.952 1.00 0.20 C ATOM 1278 C HIS A 871 6.892 -16.959 21.726 1.00 35.32 C ATOM 1279 O HIS A 871 7.878 -17.227 21.042 1.00 3.23 O ATOM 1280 CB HIS A 871 6.327 -14.721 20.647 1.00 55.34 C ATOM 1281 CG HIS A 871 5.434 -13.508 20.756 1.00 0.54 C ATOM 1282 ND1 HIS A 871 4.780 -13.161 21.926 1.00 71.41 N ATOM 1283 CD2 HIS A 871 5.095 -12.564 19.832 1.00 45.41 C ATOM 1284 CE1 HIS A 871 4.081 -12.058 21.703 1.00 3.14 C ATOM 1285 NE2 HIS A 871 4.278 -11.689 20.405 1.00 73.30 N ATOM 0 H HIS A 871 8.356 -14.724 22.441 1.00 14.44 H new ATOM 0 HA HIS A 871 5.488 -15.515 22.416 1.00 0.20 H new ATOM 0 HB2 HIS A 871 7.315 -14.403 20.313 1.00 55.34 H new ATOM 0 HB3 HIS A 871 5.929 -15.385 19.879 1.00 55.34 H new ATOM 0 HD2 HIS A 871 5.434 -12.534 18.807 1.00 45.41 H new ATOM 0 HE1 HIS A 871 3.463 -11.542 22.423 1.00 3.14 H new ATOM 0 HE2 HIS A 871 3.865 -10.875 19.950 1.00 73.30 H new ATOM 1293 N ASP A 872 6.119 -17.861 22.314 1.00 21.11 N ATOM 1294 CA ASP A 872 6.396 -19.282 22.186 1.00 42.32 C ATOM 1295 C ASP A 872 5.410 -19.902 21.194 1.00 41.43 C ATOM 1296 O ASP A 872 4.198 -19.838 21.396 1.00 64.23 O ATOM 1297 CB ASP A 872 6.231 -19.998 23.527 1.00 32.52 C ATOM 1298 CG ASP A 872 4.792 -20.091 24.038 1.00 55.40 C ATOM 1299 OD1 ASP A 872 4.277 -19.156 24.670 1.00 21.11 O ATOM 1300 OD2 ASP A 872 4.184 -21.194 23.759 1.00 13.22 O ATOM 0 H ASP A 872 5.301 -17.635 22.880 1.00 21.11 H new ATOM 0 HA ASP A 872 7.424 -19.396 21.841 1.00 42.32 H new ATOM 0 HB2 ASP A 872 6.634 -21.007 23.435 1.00 32.52 H new ATOM 0 HB3 ASP A 872 6.833 -19.481 24.274 1.00 32.52 H new ATOM 1306 N TRP A 873 5.966 -20.487 20.143 1.00 2.12 N ATOM 1307 CA TRP A 873 5.151 -21.118 19.119 1.00 11.22 C ATOM 1308 C TRP A 873 5.046 -22.608 19.450 1.00 63.13 C ATOM 1309 O TRP A 873 4.034 -23.243 19.157 1.00 64.12 O ATOM 1310 CB TRP A 873 5.721 -20.853 17.724 1.00 20.44 C ATOM 1311 CG TRP A 873 5.609 -19.396 17.272 1.00 1.04 C ATOM 1312 CD1 TRP A 873 5.407 -18.310 18.031 1.00 20.01 C ATOM 1313 CD2 TRP A 873 5.702 -18.906 15.918 1.00 70.31 C ATOM 1314 NE1 TRP A 873 5.363 -17.161 17.268 1.00 51.10 N ATOM 1315 CE2 TRP A 873 5.548 -17.535 15.942 1.00 21.21 C ATOM 1316 CE3 TRP A 873 5.909 -19.599 14.712 1.00 24.12 C ATOM 1317 CZ2 TRP A 873 5.585 -16.739 14.791 1.00 21.11 C ATOM 1318 CZ3 TRP A 873 5.944 -18.789 13.571 1.00 73.13 C ATOM 1319 CH2 TRP A 873 5.790 -17.408 13.578 1.00 4.33 C ATOM 0 H TRP A 873 6.971 -20.537 19.979 1.00 2.12 H new ATOM 0 HA TRP A 873 4.147 -20.693 19.108 1.00 11.22 H new ATOM 0 HB2 TRP A 873 6.770 -21.147 17.710 1.00 20.44 H new ATOM 0 HB3 TRP A 873 5.202 -21.487 17.005 1.00 20.44 H new ATOM 0 HD1 TRP A 873 5.293 -18.331 19.105 1.00 20.01 H new ATOM 0 HE1 TRP A 873 5.221 -16.212 17.613 1.00 51.10 H new ATOM 0 HE3 TRP A 873 6.031 -20.671 14.670 1.00 24.12 H new ATOM 0 HZ2 TRP A 873 5.462 -15.667 14.836 1.00 21.11 H new ATOM 0 HZ3 TRP A 873 6.102 -19.271 12.618 1.00 73.13 H new ATOM 0 HH2 TRP A 873 5.828 -16.853 12.652 1.00 4.33 H new ATOM 1330 N GLY A 874 6.106 -23.123 20.055 1.00 3.03 N ATOM 1331 CA GLY A 874 6.147 -24.527 20.429 1.00 54.43 C ATOM 1332 C GLY A 874 7.391 -24.837 21.262 1.00 5.35 C ATOM 1333 O GLY A 874 7.734 -24.087 22.176 1.00 74.40 O ATOM 0 H GLY A 874 6.944 -22.593 20.296 1.00 3.03 H new ATOM 0 HA2 GLY A 874 5.252 -24.782 20.997 1.00 54.43 H new ATOM 0 HA3 GLY A 874 6.142 -25.146 19.532 1.00 54.43 H new ATOM 1337 N ILE A 875 8.035 -25.942 20.918 1.00 31.51 N ATOM 1338 CA ILE A 875 9.234 -26.361 21.623 1.00 4.14 C ATOM 1339 C ILE A 875 10.135 -27.146 20.668 1.00 42.45 C ATOM 1340 O ILE A 875 9.728 -27.473 19.554 1.00 65.41 O ATOM 1341 CB ILE A 875 8.868 -27.130 22.894 1.00 31.30 C ATOM 1342 CG1 ILE A 875 7.724 -28.112 22.630 1.00 1.31 C ATOM 1343 CG2 ILE A 875 8.547 -26.171 24.042 1.00 30.33 C ATOM 1344 CD1 ILE A 875 8.057 -29.040 21.460 1.00 10.21 C ATOM 0 H ILE A 875 7.749 -26.561 20.159 1.00 31.51 H new ATOM 0 HA ILE A 875 9.802 -25.492 21.956 1.00 4.14 H new ATOM 0 HB ILE A 875 9.734 -27.718 23.199 1.00 31.30 H new ATOM 0 HG12 ILE A 875 7.534 -28.704 23.525 1.00 1.31 H new ATOM 0 HG13 ILE A 875 6.809 -27.560 22.412 1.00 1.31 H new ATOM 0 HG21 ILE A 875 8.290 -26.743 24.933 1.00 30.33 H new ATOM 0 HG22 ILE A 875 9.417 -25.548 24.249 1.00 30.33 H new ATOM 0 HG23 ILE A 875 7.705 -25.538 23.762 1.00 30.33 H new ATOM 0 HD11 ILE A 875 7.228 -29.728 21.294 1.00 10.21 H new ATOM 0 HD12 ILE A 875 8.223 -28.447 20.561 1.00 10.21 H new ATOM 0 HD13 ILE A 875 8.958 -29.608 21.691 1.00 10.21 H new ATOM 1356 N HIS A 876 11.342 -27.424 21.138 1.00 63.25 N ATOM 1357 CA HIS A 876 12.304 -28.164 20.338 1.00 21.35 C ATOM 1358 C HIS A 876 12.490 -29.565 20.926 1.00 54.22 C ATOM 1359 O HIS A 876 12.795 -29.711 22.108 1.00 4.42 O ATOM 1360 CB HIS A 876 13.620 -27.392 20.219 1.00 34.32 C ATOM 1361 CG HIS A 876 14.346 -27.615 18.914 1.00 51.40 C ATOM 1362 ND1 HIS A 876 14.435 -26.645 17.931 1.00 55.23 N ATOM 1363 CD2 HIS A 876 15.017 -28.704 18.442 1.00 71.22 C ATOM 1364 CE1 HIS A 876 15.129 -27.140 16.917 1.00 53.45 C ATOM 1365 NE2 HIS A 876 15.488 -28.416 17.235 1.00 63.20 N ATOM 0 H HIS A 876 11.676 -27.150 22.062 1.00 63.25 H new ATOM 0 HA HIS A 876 11.925 -28.280 19.323 1.00 21.35 H new ATOM 0 HB2 HIS A 876 13.416 -26.327 20.333 1.00 34.32 H new ATOM 0 HB3 HIS A 876 14.275 -27.681 21.041 1.00 34.32 H new ATOM 0 HD2 HIS A 876 15.144 -29.642 18.962 1.00 71.22 H new ATOM 0 HE1 HIS A 876 15.368 -26.623 15.999 1.00 53.45 H new ATOM 0 HE2 HIS A 876 16.029 -29.046 16.643 1.00 63.20 H new ATOM 1373 N VAL A 877 12.297 -30.560 20.072 1.00 12.33 N ATOM 1374 CA VAL A 877 12.439 -31.944 20.492 1.00 40.43 C ATOM 1375 C VAL A 877 13.273 -32.702 19.457 1.00 30.33 C ATOM 1376 O VAL A 877 13.645 -32.146 18.425 1.00 10.45 O ATOM 1377 CB VAL A 877 11.060 -32.566 20.720 1.00 11.42 C ATOM 1378 CG1 VAL A 877 10.151 -31.612 21.499 1.00 72.45 C ATOM 1379 CG2 VAL A 877 10.417 -32.976 19.394 1.00 60.01 C ATOM 0 H VAL A 877 12.044 -30.435 19.092 1.00 12.33 H new ATOM 0 HA VAL A 877 12.968 -32.003 21.443 1.00 40.43 H new ATOM 0 HB VAL A 877 11.193 -33.467 21.319 1.00 11.42 H new ATOM 0 HG11 VAL A 877 9.177 -32.078 21.648 1.00 72.45 H new ATOM 0 HG12 VAL A 877 10.600 -31.392 22.468 1.00 72.45 H new ATOM 0 HG13 VAL A 877 10.028 -30.686 20.937 1.00 72.45 H new ATOM 0 HG21 VAL A 877 9.438 -33.415 19.585 1.00 60.01 H new ATOM 0 HG22 VAL A 877 10.303 -32.098 18.758 1.00 60.01 H new ATOM 0 HG23 VAL A 877 11.051 -33.707 18.893 1.00 60.01 H new ATOM 1389 N LYS A 878 13.542 -33.961 19.770 1.00 63.43 N ATOM 1390 CA LYS A 878 14.325 -34.802 18.880 1.00 24.12 C ATOM 1391 C LYS A 878 13.663 -36.177 18.770 1.00 10.13 C ATOM 1392 O LYS A 878 13.098 -36.677 19.742 1.00 53.14 O ATOM 1393 CB LYS A 878 15.783 -34.857 19.340 1.00 24.05 C ATOM 1394 CG LYS A 878 16.511 -36.050 18.717 1.00 34.22 C ATOM 1395 CD LYS A 878 18.021 -35.951 18.944 1.00 74.34 C ATOM 1396 CE LYS A 878 18.653 -37.341 19.041 1.00 35.32 C ATOM 1397 NZ LYS A 878 18.018 -38.124 20.126 1.00 45.23 N ATOM 0 H LYS A 878 13.232 -34.419 20.627 1.00 63.43 H new ATOM 0 HA LYS A 878 14.347 -34.377 17.876 1.00 24.12 H new ATOM 0 HB2 LYS A 878 16.290 -33.933 19.064 1.00 24.05 H new ATOM 0 HB3 LYS A 878 15.822 -34.930 20.427 1.00 24.05 H new ATOM 0 HG2 LYS A 878 16.135 -36.977 19.150 1.00 34.22 H new ATOM 0 HG3 LYS A 878 16.302 -36.090 17.648 1.00 34.22 H new ATOM 0 HD2 LYS A 878 18.480 -35.395 18.126 1.00 74.34 H new ATOM 0 HD3 LYS A 878 18.219 -35.393 19.859 1.00 74.34 H new ATOM 0 HE2 LYS A 878 18.540 -37.865 18.092 1.00 35.32 H new ATOM 0 HE3 LYS A 878 19.723 -37.248 19.229 1.00 35.32 H new ATOM 0 HZ1 LYS A 878 18.700 -38.814 20.501 1.00 45.23 H new ATOM 0 HZ2 LYS A 878 17.720 -37.482 20.888 1.00 45.23 H new ATOM 0 HZ3 LYS A 878 17.188 -38.626 19.752 1.00 45.23 H new ATOM 1410 N TYR A 879 13.755 -36.749 17.579 1.00 73.11 N ATOM 1411 CA TYR A 879 13.171 -38.056 17.329 1.00 24.35 C ATOM 1412 C TYR A 879 14.126 -38.937 16.521 1.00 32.51 C ATOM 1413 O TYR A 879 14.945 -38.432 15.755 1.00 12.22 O ATOM 1414 CB TYR A 879 11.908 -37.804 16.505 1.00 53.31 C ATOM 1415 CG TYR A 879 11.069 -39.058 16.252 1.00 14.22 C ATOM 1416 CD1 TYR A 879 11.056 -40.078 17.181 1.00 32.32 C ATOM 1417 CD2 TYR A 879 10.324 -39.169 15.095 1.00 2.42 C ATOM 1418 CE1 TYR A 879 10.266 -41.259 16.943 1.00 1.33 C ATOM 1419 CE2 TYR A 879 9.534 -40.349 14.857 1.00 4.04 C ATOM 1420 CZ TYR A 879 9.544 -41.336 15.793 1.00 4.22 C ATOM 1421 OH TYR A 879 8.798 -42.451 15.569 1.00 45.45 O ATOM 0 H TYR A 879 14.225 -36.331 16.776 1.00 73.11 H new ATOM 0 HA TYR A 879 12.961 -38.568 18.268 1.00 24.35 H new ATOM 0 HB2 TYR A 879 11.293 -37.065 17.019 1.00 53.31 H new ATOM 0 HB3 TYR A 879 12.193 -37.370 15.546 1.00 53.31 H new ATOM 0 HD1 TYR A 879 11.638 -39.991 18.087 1.00 32.32 H new ATOM 0 HD2 TYR A 879 10.334 -38.370 14.368 1.00 2.42 H new ATOM 0 HE1 TYR A 879 10.248 -42.065 17.662 1.00 1.33 H new ATOM 0 HE2 TYR A 879 8.947 -40.448 13.956 1.00 4.04 H new ATOM 0 HH TYR A 879 8.335 -42.367 14.710 1.00 45.45 H new ATOM 1431 N LYS A 880 13.988 -40.240 16.719 1.00 25.32 N ATOM 1432 CA LYS A 880 14.828 -41.197 16.018 1.00 4.42 C ATOM 1433 C LYS A 880 15.009 -40.743 14.568 1.00 24.03 C ATOM 1434 O LYS A 880 16.056 -40.978 13.967 1.00 62.03 O ATOM 1435 CB LYS A 880 14.259 -42.610 16.154 1.00 70.21 C ATOM 1436 CG LYS A 880 14.763 -43.284 17.432 1.00 14.21 C ATOM 1437 CD LYS A 880 14.233 -42.566 18.675 1.00 31.22 C ATOM 1438 CE LYS A 880 14.796 -43.194 19.952 1.00 11.40 C ATOM 1439 NZ LYS A 880 16.251 -42.944 20.054 1.00 63.53 N ATOM 0 H LYS A 880 13.307 -40.656 17.355 1.00 25.32 H new ATOM 0 HA LYS A 880 15.820 -41.234 16.467 1.00 4.42 H new ATOM 0 HB2 LYS A 880 13.170 -42.568 16.166 1.00 70.21 H new ATOM 0 HB3 LYS A 880 14.545 -43.206 15.287 1.00 70.21 H new ATOM 0 HG2 LYS A 880 14.446 -44.327 17.447 1.00 14.21 H new ATOM 0 HG3 LYS A 880 15.853 -43.282 17.443 1.00 14.21 H new ATOM 0 HD2 LYS A 880 14.505 -41.511 18.634 1.00 31.22 H new ATOM 0 HD3 LYS A 880 13.144 -42.614 18.691 1.00 31.22 H new ATOM 0 HE2 LYS A 880 14.288 -42.780 20.823 1.00 11.40 H new ATOM 0 HE3 LYS A 880 14.604 -44.267 19.952 1.00 11.40 H new ATOM 0 HZ1 LYS A 880 16.571 -43.145 21.023 1.00 63.53 H new ATOM 0 HZ2 LYS A 880 16.757 -43.562 19.388 1.00 63.53 H new ATOM 0 HZ3 LYS A 880 16.449 -41.950 19.823 1.00 63.53 H new ATOM 1452 N THR A 881 13.973 -40.101 14.049 1.00 63.21 N ATOM 1453 CA THR A 881 14.005 -39.613 12.681 1.00 52.42 C ATOM 1454 C THR A 881 14.953 -38.418 12.563 1.00 12.50 C ATOM 1455 O THR A 881 16.065 -38.551 12.056 1.00 43.35 O ATOM 1456 CB THR A 881 12.569 -39.293 12.260 1.00 60.03 C ATOM 1457 OG1 THR A 881 12.168 -38.258 13.153 1.00 54.33 O ATOM 1458 CG2 THR A 881 11.602 -40.440 12.560 1.00 53.11 C ATOM 0 H THR A 881 13.106 -39.907 14.551 1.00 63.21 H new ATOM 0 HA THR A 881 14.398 -40.368 12.001 1.00 52.42 H new ATOM 0 HB THR A 881 12.545 -39.067 11.194 1.00 60.03 H new ATOM 0 HG1 THR A 881 11.863 -38.653 13.996 1.00 54.33 H new ATOM 0 HG21 THR A 881 10.597 -40.161 12.242 1.00 53.11 H new ATOM 0 HG22 THR A 881 11.919 -41.333 12.021 1.00 53.11 H new ATOM 0 HG23 THR A 881 11.600 -40.644 13.631 1.00 53.11 H new ATOM 1466 N PHE A 882 14.477 -37.277 13.041 1.00 45.35 N ATOM 1467 CA PHE A 882 15.269 -36.059 12.995 1.00 12.12 C ATOM 1468 C PHE A 882 14.904 -35.125 14.151 1.00 41.33 C ATOM 1469 O PHE A 882 13.963 -35.392 14.897 1.00 63.14 O ATOM 1470 CB PHE A 882 14.945 -35.364 11.671 1.00 13.14 C ATOM 1471 CG PHE A 882 15.117 -36.257 10.441 1.00 32.21 C ATOM 1472 CD1 PHE A 882 16.357 -36.477 9.928 1.00 1.24 C ATOM 1473 CD2 PHE A 882 14.029 -36.832 9.860 1.00 4.25 C ATOM 1474 CE1 PHE A 882 16.517 -37.306 8.787 1.00 52.13 C ATOM 1475 CE2 PHE A 882 14.189 -37.661 8.719 1.00 41.22 C ATOM 1476 CZ PHE A 882 15.429 -37.880 8.206 1.00 24.50 C ATOM 0 H PHE A 882 13.554 -37.170 13.462 1.00 45.35 H new ATOM 0 HA PHE A 882 16.329 -36.300 13.078 1.00 12.12 H new ATOM 0 HB2 PHE A 882 13.917 -35.003 11.704 1.00 13.14 H new ATOM 0 HB3 PHE A 882 15.587 -34.489 11.565 1.00 13.14 H new ATOM 0 HD1 PHE A 882 17.221 -36.021 10.389 1.00 1.24 H new ATOM 0 HD2 PHE A 882 13.044 -36.658 10.267 1.00 4.25 H new ATOM 0 HE1 PHE A 882 17.502 -37.481 8.380 1.00 52.13 H new ATOM 0 HE2 PHE A 882 13.326 -38.118 8.258 1.00 41.22 H new ATOM 0 HZ PHE A 882 15.550 -38.510 7.337 1.00 24.50 H new ATOM 1486 N GLU A 883 15.668 -34.048 14.263 1.00 40.03 N ATOM 1487 CA GLU A 883 15.437 -33.073 15.315 1.00 41.43 C ATOM 1488 C GLU A 883 14.759 -31.826 14.743 1.00 2.21 C ATOM 1489 O GLU A 883 15.375 -31.067 13.997 1.00 45.22 O ATOM 1490 CB GLU A 883 16.744 -32.710 16.023 1.00 70.21 C ATOM 1491 CG GLU A 883 17.867 -32.468 15.012 1.00 74.41 C ATOM 1492 CD GLU A 883 18.874 -31.447 15.545 1.00 73.23 C ATOM 1493 OE1 GLU A 883 18.474 -30.422 16.116 1.00 33.02 O ATOM 1494 OE2 GLU A 883 20.112 -31.749 15.349 1.00 64.55 O ATOM 0 H GLU A 883 16.447 -33.829 13.642 1.00 40.03 H new ATOM 0 HA GLU A 883 14.772 -33.517 16.056 1.00 41.43 H new ATOM 0 HB2 GLU A 883 16.597 -31.816 16.629 1.00 70.21 H new ATOM 0 HB3 GLU A 883 17.029 -33.513 16.703 1.00 70.21 H new ATOM 0 HG2 GLU A 883 18.376 -33.408 14.796 1.00 74.41 H new ATOM 0 HG3 GLU A 883 17.445 -32.111 14.073 1.00 74.41 H new ATOM 1502 N ILE A 884 13.499 -31.653 15.115 1.00 4.03 N ATOM 1503 CA ILE A 884 12.731 -30.511 14.649 1.00 61.20 C ATOM 1504 C ILE A 884 11.692 -30.135 15.707 1.00 2.51 C ATOM 1505 O ILE A 884 11.400 -30.924 16.604 1.00 52.02 O ATOM 1506 CB ILE A 884 12.130 -30.796 13.271 1.00 21.52 C ATOM 1507 CG1 ILE A 884 11.821 -32.286 13.106 1.00 51.24 C ATOM 1508 CG2 ILE A 884 13.039 -30.272 12.157 1.00 31.54 C ATOM 1509 CD1 ILE A 884 10.936 -32.792 14.247 1.00 62.25 C ATOM 0 H ILE A 884 12.991 -32.285 15.734 1.00 4.03 H new ATOM 0 HA ILE A 884 13.379 -29.645 14.516 1.00 61.20 H new ATOM 0 HB ILE A 884 11.184 -30.260 13.193 1.00 21.52 H new ATOM 0 HG12 ILE A 884 11.322 -32.454 12.152 1.00 51.24 H new ATOM 0 HG13 ILE A 884 12.751 -32.854 13.083 1.00 51.24 H new ATOM 0 HG21 ILE A 884 12.588 -30.488 11.188 1.00 31.54 H new ATOM 0 HG22 ILE A 884 13.165 -29.195 12.267 1.00 31.54 H new ATOM 0 HG23 ILE A 884 14.012 -30.760 12.221 1.00 31.54 H new ATOM 0 HD11 ILE A 884 10.731 -33.853 14.106 1.00 62.25 H new ATOM 0 HD12 ILE A 884 11.448 -32.645 15.198 1.00 62.25 H new ATOM 0 HD13 ILE A 884 9.997 -32.239 14.252 1.00 62.25 H new ATOM 1521 N PRO A 885 11.149 -28.896 15.564 1.00 71.02 N ATOM 1522 CA PRO A 885 10.149 -28.405 16.496 1.00 32.05 C ATOM 1523 C PRO A 885 8.793 -29.067 16.245 1.00 55.01 C ATOM 1524 O PRO A 885 8.446 -29.366 15.103 1.00 12.32 O ATOM 1525 CB PRO A 885 10.123 -26.900 16.289 1.00 53.52 C ATOM 1526 CG PRO A 885 10.766 -26.655 14.933 1.00 14.53 C ATOM 1527 CD PRO A 885 11.471 -27.934 14.514 1.00 1.10 C ATOM 0 HA PRO A 885 10.386 -28.647 17.532 1.00 32.05 H new ATOM 0 HB2 PRO A 885 9.102 -26.520 16.311 1.00 53.52 H new ATOM 0 HB3 PRO A 885 10.671 -26.387 17.080 1.00 53.52 H new ATOM 0 HG2 PRO A 885 10.011 -26.376 14.197 1.00 14.53 H new ATOM 0 HG3 PRO A 885 11.475 -25.829 14.990 1.00 14.53 H new ATOM 0 HD2 PRO A 885 11.121 -28.278 13.541 1.00 1.10 H new ATOM 0 HD3 PRO A 885 12.547 -27.784 14.431 1.00 1.10 H new ATOM 1535 N VAL A 886 8.062 -29.277 17.330 1.00 10.41 N ATOM 1536 CA VAL A 886 6.751 -29.898 17.241 1.00 3.45 C ATOM 1537 C VAL A 886 5.680 -28.875 17.626 1.00 2.03 C ATOM 1538 O VAL A 886 5.642 -28.410 18.764 1.00 14.43 O ATOM 1539 CB VAL A 886 6.711 -31.160 18.105 1.00 14.34 C ATOM 1540 CG1 VAL A 886 5.292 -31.728 18.179 1.00 21.03 C ATOM 1541 CG2 VAL A 886 7.696 -32.210 17.588 1.00 11.24 C ATOM 0 H VAL A 886 8.353 -29.028 18.276 1.00 10.41 H new ATOM 0 HA VAL A 886 6.546 -30.214 16.218 1.00 3.45 H new ATOM 0 HB VAL A 886 7.015 -30.885 19.115 1.00 14.34 H new ATOM 0 HG11 VAL A 886 5.291 -32.625 18.799 1.00 21.03 H new ATOM 0 HG12 VAL A 886 4.625 -30.984 18.615 1.00 21.03 H new ATOM 0 HG13 VAL A 886 4.948 -31.980 17.176 1.00 21.03 H new ATOM 0 HG21 VAL A 886 7.647 -33.097 18.220 1.00 11.24 H new ATOM 0 HG22 VAL A 886 7.437 -32.479 16.564 1.00 11.24 H new ATOM 0 HG23 VAL A 886 8.707 -31.803 17.611 1.00 11.24 H new ATOM 1551 N ILE A 887 4.837 -28.555 16.656 1.00 71.32 N ATOM 1552 CA ILE A 887 3.768 -27.596 16.879 1.00 62.44 C ATOM 1553 C ILE A 887 2.419 -28.313 16.790 1.00 42.23 C ATOM 1554 O ILE A 887 2.359 -29.489 16.434 1.00 2.21 O ATOM 1555 CB ILE A 887 3.901 -26.413 15.917 1.00 32.44 C ATOM 1556 CG1 ILE A 887 5.370 -26.122 15.606 1.00 62.12 C ATOM 1557 CG2 ILE A 887 3.175 -25.181 16.461 1.00 30.13 C ATOM 1558 CD1 ILE A 887 5.501 -24.961 14.619 1.00 45.53 C ATOM 0 H ILE A 887 4.872 -28.943 15.713 1.00 71.32 H new ATOM 0 HA ILE A 887 3.838 -27.172 17.881 1.00 62.44 H new ATOM 0 HB ILE A 887 3.420 -26.681 14.976 1.00 32.44 H new ATOM 0 HG12 ILE A 887 5.900 -25.882 16.528 1.00 62.12 H new ATOM 0 HG13 ILE A 887 5.841 -27.013 15.190 1.00 62.12 H new ATOM 0 HG21 ILE A 887 3.285 -24.354 15.759 1.00 30.13 H new ATOM 0 HG22 ILE A 887 2.117 -25.410 16.590 1.00 30.13 H new ATOM 0 HG23 ILE A 887 3.605 -24.900 17.422 1.00 30.13 H new ATOM 0 HD11 ILE A 887 6.555 -24.774 14.415 1.00 45.53 H new ATOM 0 HD12 ILE A 887 4.990 -25.214 13.690 1.00 45.53 H new ATOM 0 HD13 ILE A 887 5.051 -24.066 15.048 1.00 45.53 H new ATOM 1570 N LYS A 888 1.370 -27.574 17.119 1.00 50.12 N ATOM 1571 CA LYS A 888 0.026 -28.124 17.081 1.00 54.14 C ATOM 1572 C LYS A 888 -0.715 -27.565 15.864 1.00 12.43 C ATOM 1573 O LYS A 888 -0.132 -26.844 15.055 1.00 34.52 O ATOM 1574 CB LYS A 888 -0.694 -27.873 18.408 1.00 63.45 C ATOM 1575 CG LYS A 888 0.235 -28.141 19.594 1.00 40.23 C ATOM 1576 CD LYS A 888 1.002 -26.876 19.986 1.00 73.13 C ATOM 1577 CE LYS A 888 1.325 -26.872 21.481 1.00 32.32 C ATOM 1578 NZ LYS A 888 2.590 -27.596 21.740 1.00 73.11 N ATOM 0 H LYS A 888 1.424 -26.599 17.413 1.00 50.12 H new ATOM 0 HA LYS A 888 0.061 -29.207 16.964 1.00 54.14 H new ATOM 0 HB2 LYS A 888 -1.049 -26.843 18.445 1.00 63.45 H new ATOM 0 HB3 LYS A 888 -1.572 -28.515 18.477 1.00 63.45 H new ATOM 0 HG2 LYS A 888 -0.348 -28.496 20.444 1.00 40.23 H new ATOM 0 HG3 LYS A 888 0.939 -28.933 19.338 1.00 40.23 H new ATOM 0 HD2 LYS A 888 1.926 -26.813 19.411 1.00 73.13 H new ATOM 0 HD3 LYS A 888 0.410 -25.995 19.736 1.00 73.13 H new ATOM 0 HE2 LYS A 888 1.407 -25.846 21.839 1.00 32.32 H new ATOM 0 HE3 LYS A 888 0.512 -27.339 22.036 1.00 32.32 H new ATOM 0 HZ1 LYS A 888 2.794 -27.584 22.760 1.00 73.11 H new ATOM 0 HZ2 LYS A 888 2.499 -28.580 21.417 1.00 73.11 H new ATOM 0 HZ3 LYS A 888 3.366 -27.133 21.226 1.00 73.11 H new ATOM 1591 N ILE A 889 -1.989 -27.917 15.774 1.00 71.23 N ATOM 1592 CA ILE A 889 -2.816 -27.459 14.670 1.00 64.52 C ATOM 1593 C ILE A 889 -3.585 -26.209 15.099 1.00 12.30 C ATOM 1594 O ILE A 889 -4.095 -25.470 14.258 1.00 42.11 O ATOM 1595 CB ILE A 889 -3.714 -28.592 14.167 1.00 4.24 C ATOM 1596 CG1 ILE A 889 -4.185 -28.324 12.736 1.00 24.24 C ATOM 1597 CG2 ILE A 889 -4.886 -28.827 15.122 1.00 2.32 C ATOM 1598 CD1 ILE A 889 -5.095 -29.449 12.239 1.00 23.23 C ATOM 0 H ILE A 889 -2.469 -28.514 16.447 1.00 71.23 H new ATOM 0 HA ILE A 889 -2.195 -27.175 13.821 1.00 64.52 H new ATOM 0 HB ILE A 889 -3.127 -29.510 14.146 1.00 4.24 H new ATOM 0 HG12 ILE A 889 -4.720 -27.375 12.697 1.00 24.24 H new ATOM 0 HG13 ILE A 889 -3.322 -28.231 12.077 1.00 24.24 H new ATOM 0 HG21 ILE A 889 -5.509 -29.637 14.742 1.00 2.32 H new ATOM 0 HG22 ILE A 889 -4.504 -29.095 16.107 1.00 2.32 H new ATOM 0 HG23 ILE A 889 -5.481 -27.917 15.198 1.00 2.32 H new ATOM 0 HD11 ILE A 889 -5.416 -29.234 11.220 1.00 23.23 H new ATOM 0 HD12 ILE A 889 -4.550 -30.393 12.256 1.00 23.23 H new ATOM 0 HD13 ILE A 889 -5.969 -29.523 12.886 1.00 23.23 H new ATOM 1610 N GLU A 890 -3.645 -26.010 16.408 1.00 52.35 N ATOM 1611 CA GLU A 890 -4.344 -24.861 16.959 1.00 60.14 C ATOM 1612 C GLU A 890 -3.341 -23.821 17.463 1.00 71.41 C ATOM 1613 O GLU A 890 -3.717 -22.875 18.152 1.00 1.34 O ATOM 1614 CB GLU A 890 -5.302 -25.285 18.074 1.00 65.21 C ATOM 1615 CG GLU A 890 -4.536 -25.624 19.355 1.00 60.04 C ATOM 1616 CD GLU A 890 -4.306 -24.372 20.204 1.00 73.04 C ATOM 1617 OE1 GLU A 890 -3.271 -24.261 20.877 1.00 33.24 O ATOM 1618 OE2 GLU A 890 -5.250 -23.494 20.146 1.00 5.22 O ATOM 0 H GLU A 890 -3.221 -26.625 17.103 1.00 52.35 H new ATOM 0 HA GLU A 890 -4.940 -24.408 16.166 1.00 60.14 H new ATOM 0 HB2 GLU A 890 -6.013 -24.483 18.272 1.00 65.21 H new ATOM 0 HB3 GLU A 890 -5.880 -26.151 17.752 1.00 65.21 H new ATOM 0 HG2 GLU A 890 -5.094 -26.362 19.932 1.00 60.04 H new ATOM 0 HG3 GLU A 890 -3.577 -26.077 19.101 1.00 60.04 H new ATOM 1626 N SER A 891 -2.085 -24.033 17.099 1.00 3.04 N ATOM 1627 CA SER A 891 -1.025 -23.126 17.506 1.00 10.13 C ATOM 1628 C SER A 891 -0.966 -21.930 16.554 1.00 0.53 C ATOM 1629 O SER A 891 -0.753 -20.798 16.986 1.00 13.34 O ATOM 1630 CB SER A 891 0.327 -23.841 17.545 1.00 1.30 C ATOM 1631 OG SER A 891 1.267 -23.160 18.372 1.00 21.44 O ATOM 0 H SER A 891 -1.777 -24.819 16.527 1.00 3.04 H new ATOM 0 HA SER A 891 -1.246 -22.771 18.512 1.00 10.13 H new ATOM 0 HB2 SER A 891 0.189 -24.857 17.914 1.00 1.30 H new ATOM 0 HB3 SER A 891 0.725 -23.920 16.533 1.00 1.30 H new ATOM 0 HG SER A 891 2.111 -23.658 18.387 1.00 21.44 H new ATOM 1637 N PHE A 892 -1.158 -22.221 15.276 1.00 20.12 N ATOM 1638 CA PHE A 892 -1.129 -21.184 14.259 1.00 12.54 C ATOM 1639 C PHE A 892 -2.339 -21.293 13.330 1.00 74.34 C ATOM 1640 O PHE A 892 -3.045 -22.301 13.339 1.00 24.11 O ATOM 1641 CB PHE A 892 0.147 -21.393 13.442 1.00 22.25 C ATOM 1642 CG PHE A 892 0.442 -22.858 13.113 1.00 75.11 C ATOM 1643 CD1 PHE A 892 -0.461 -23.591 12.407 1.00 41.22 C ATOM 1644 CD2 PHE A 892 1.605 -23.427 13.526 1.00 24.52 C ATOM 1645 CE1 PHE A 892 -0.188 -24.950 12.101 1.00 22.20 C ATOM 1646 CE2 PHE A 892 1.878 -24.787 13.220 1.00 24.14 C ATOM 1647 CZ PHE A 892 0.976 -25.520 12.514 1.00 0.33 C ATOM 0 H PHE A 892 -1.334 -23.161 14.921 1.00 20.12 H new ATOM 0 HA PHE A 892 -1.154 -20.201 14.730 1.00 12.54 H new ATOM 0 HB2 PHE A 892 0.066 -20.831 12.511 1.00 22.25 H new ATOM 0 HB3 PHE A 892 0.991 -20.978 13.993 1.00 22.25 H new ATOM 0 HD1 PHE A 892 -1.385 -23.139 12.079 1.00 41.22 H new ATOM 0 HD2 PHE A 892 2.322 -22.845 14.087 1.00 24.52 H new ATOM 0 HE1 PHE A 892 -0.905 -25.532 11.540 1.00 22.20 H new ATOM 0 HE2 PHE A 892 2.802 -25.239 13.548 1.00 24.14 H new ATOM 0 HZ PHE A 892 1.184 -26.554 12.281 1.00 0.33 H new ATOM 1657 N VAL A 893 -2.543 -20.242 12.549 1.00 62.42 N ATOM 1658 CA VAL A 893 -3.655 -20.208 11.615 1.00 74.01 C ATOM 1659 C VAL A 893 -3.163 -20.621 10.226 1.00 11.33 C ATOM 1660 O VAL A 893 -1.962 -20.608 9.960 1.00 32.05 O ATOM 1661 CB VAL A 893 -4.309 -18.825 11.631 1.00 53.13 C ATOM 1662 CG1 VAL A 893 -4.292 -18.226 13.039 1.00 65.15 C ATOM 1663 CG2 VAL A 893 -3.634 -17.888 10.628 1.00 40.35 C ATOM 0 H VAL A 893 -1.956 -19.407 12.544 1.00 62.42 H new ATOM 0 HA VAL A 893 -4.425 -20.921 11.912 1.00 74.01 H new ATOM 0 HB VAL A 893 -5.350 -18.943 11.331 1.00 53.13 H new ATOM 0 HG11 VAL A 893 -4.763 -17.243 13.022 1.00 65.15 H new ATOM 0 HG12 VAL A 893 -4.839 -18.879 13.719 1.00 65.15 H new ATOM 0 HG13 VAL A 893 -3.261 -18.129 13.381 1.00 65.15 H new ATOM 0 HG21 VAL A 893 -4.118 -16.912 10.659 1.00 40.35 H new ATOM 0 HG22 VAL A 893 -2.580 -17.779 10.884 1.00 40.35 H new ATOM 0 HG23 VAL A 893 -3.722 -18.305 9.625 1.00 40.35 H new ATOM 1673 N VAL A 894 -4.116 -20.977 9.377 1.00 1.14 N ATOM 1674 CA VAL A 894 -3.794 -21.393 8.023 1.00 52.32 C ATOM 1675 C VAL A 894 -4.549 -20.507 7.029 1.00 34.44 C ATOM 1676 O VAL A 894 -5.771 -20.594 6.920 1.00 75.04 O ATOM 1677 CB VAL A 894 -4.097 -22.882 7.847 1.00 72.04 C ATOM 1678 CG1 VAL A 894 -5.574 -23.106 7.517 1.00 53.32 C ATOM 1679 CG2 VAL A 894 -3.196 -23.502 6.777 1.00 53.15 C ATOM 0 H VAL A 894 -5.111 -20.986 9.601 1.00 1.14 H new ATOM 0 HA VAL A 894 -2.729 -21.267 7.827 1.00 52.32 H new ATOM 0 HB VAL A 894 -3.886 -23.381 8.793 1.00 72.04 H new ATOM 0 HG11 VAL A 894 -5.762 -24.173 7.397 1.00 53.32 H new ATOM 0 HG12 VAL A 894 -6.191 -22.718 8.327 1.00 53.32 H new ATOM 0 HG13 VAL A 894 -5.823 -22.587 6.591 1.00 53.32 H new ATOM 0 HG21 VAL A 894 -3.432 -24.561 6.672 1.00 53.15 H new ATOM 0 HG22 VAL A 894 -3.361 -22.997 5.825 1.00 53.15 H new ATOM 0 HG23 VAL A 894 -2.152 -23.390 7.071 1.00 53.15 H new ATOM 1689 N GLU A 895 -3.790 -19.676 6.331 1.00 53.10 N ATOM 1690 CA GLU A 895 -4.373 -18.776 5.350 1.00 5.53 C ATOM 1691 C GLU A 895 -3.893 -19.140 3.944 1.00 62.40 C ATOM 1692 O GLU A 895 -2.692 -19.158 3.679 1.00 22.22 O ATOM 1693 CB GLU A 895 -4.044 -17.318 5.681 1.00 70.32 C ATOM 1694 CG GLU A 895 -5.018 -16.365 4.985 1.00 33.34 C ATOM 1695 CD GLU A 895 -4.841 -14.933 5.494 1.00 70.03 C ATOM 1696 OE1 GLU A 895 -5.803 -14.150 5.490 1.00 62.42 O ATOM 1697 OE2 GLU A 895 -3.653 -14.643 5.904 1.00 21.32 O ATOM 0 H GLU A 895 -2.777 -19.607 6.425 1.00 53.10 H new ATOM 0 HA GLU A 895 -5.457 -18.887 5.383 1.00 5.53 H new ATOM 0 HB2 GLU A 895 -4.090 -17.167 6.759 1.00 70.32 H new ATOM 0 HB3 GLU A 895 -3.024 -17.092 5.370 1.00 70.32 H new ATOM 0 HG2 GLU A 895 -4.854 -16.395 3.908 1.00 33.34 H new ATOM 0 HG3 GLU A 895 -6.042 -16.693 5.161 1.00 33.34 H new ATOM 1705 N ASP A 896 -4.856 -19.422 3.079 1.00 32.43 N ATOM 1706 CA ASP A 896 -4.547 -19.786 1.707 1.00 51.32 C ATOM 1707 C ASP A 896 -4.064 -18.546 0.952 1.00 43.20 C ATOM 1708 O ASP A 896 -4.567 -17.445 1.172 1.00 75.33 O ATOM 1709 CB ASP A 896 -5.785 -20.324 0.987 1.00 34.24 C ATOM 1710 CG ASP A 896 -5.784 -21.834 0.740 1.00 70.01 C ATOM 1711 OD1 ASP A 896 -5.040 -22.341 -0.113 1.00 54.33 O ATOM 1712 OD2 ASP A 896 -6.601 -22.508 1.476 1.00 0.05 O ATOM 0 H ASP A 896 -5.851 -19.406 3.302 1.00 32.43 H new ATOM 0 HA ASP A 896 -3.778 -20.558 1.728 1.00 51.32 H new ATOM 0 HB2 ASP A 896 -6.668 -20.067 1.573 1.00 34.24 H new ATOM 0 HB3 ASP A 896 -5.879 -19.814 0.028 1.00 34.24 H new ATOM 1718 N ILE A 897 -3.093 -18.766 0.078 1.00 44.51 N ATOM 1719 CA ILE A 897 -2.536 -17.680 -0.711 1.00 4.44 C ATOM 1720 C ILE A 897 -3.358 -17.509 -1.989 1.00 75.32 C ATOM 1721 O ILE A 897 -3.175 -16.541 -2.725 1.00 61.25 O ATOM 1722 CB ILE A 897 -1.045 -17.912 -0.965 1.00 61.21 C ATOM 1723 CG1 ILE A 897 -0.400 -18.663 0.202 1.00 72.24 C ATOM 1724 CG2 ILE A 897 -0.328 -16.594 -1.265 1.00 22.33 C ATOM 1725 CD1 ILE A 897 -0.114 -20.118 -0.174 1.00 61.44 C ATOM 0 H ILE A 897 -2.678 -19.680 -0.101 1.00 44.51 H new ATOM 0 HA ILE A 897 -2.600 -16.740 -0.163 1.00 4.44 H new ATOM 0 HB ILE A 897 -0.943 -18.542 -1.849 1.00 61.21 H new ATOM 0 HG12 ILE A 897 0.528 -18.169 0.489 1.00 72.24 H new ATOM 0 HG13 ILE A 897 -1.060 -18.631 1.069 1.00 72.24 H new ATOM 0 HG21 ILE A 897 0.730 -16.787 -1.442 1.00 22.33 H new ATOM 0 HG22 ILE A 897 -0.766 -16.135 -2.151 1.00 22.33 H new ATOM 0 HG23 ILE A 897 -0.437 -15.919 -0.416 1.00 22.33 H new ATOM 0 HD11 ILE A 897 0.344 -20.629 0.673 1.00 61.44 H new ATOM 0 HD12 ILE A 897 -1.047 -20.616 -0.437 1.00 61.44 H new ATOM 0 HD13 ILE A 897 0.565 -20.147 -1.026 1.00 61.44 H new ATOM 1737 N ALA A 898 -4.248 -18.465 -2.214 1.00 11.00 N ATOM 1738 CA ALA A 898 -5.100 -18.433 -3.391 1.00 2.12 C ATOM 1739 C ALA A 898 -6.472 -17.875 -3.007 1.00 43.41 C ATOM 1740 O ALA A 898 -7.254 -17.490 -3.875 1.00 0.33 O ATOM 1741 CB ALA A 898 -5.189 -19.836 -3.995 1.00 14.23 C ATOM 0 H ALA A 898 -4.397 -19.266 -1.601 1.00 11.00 H new ATOM 0 HA ALA A 898 -4.679 -17.777 -4.152 1.00 2.12 H new ATOM 0 HB1 ALA A 898 -5.828 -19.812 -4.878 1.00 14.23 H new ATOM 0 HB2 ALA A 898 -4.192 -20.174 -4.278 1.00 14.23 H new ATOM 0 HB3 ALA A 898 -5.610 -20.522 -3.260 1.00 14.23 H new ATOM 1747 N THR A 899 -6.722 -17.848 -1.706 1.00 64.32 N ATOM 1748 CA THR A 899 -7.985 -17.343 -1.197 1.00 74.50 C ATOM 1749 C THR A 899 -7.742 -16.230 -0.176 1.00 75.21 C ATOM 1750 O THR A 899 -8.366 -15.172 -0.246 1.00 32.34 O ATOM 1751 CB THR A 899 -8.773 -18.526 -0.630 1.00 71.44 C ATOM 1752 OG1 THR A 899 -8.171 -18.768 0.638 1.00 34.35 O ATOM 1753 CG2 THR A 899 -8.530 -19.820 -1.411 1.00 3.32 C ATOM 0 H THR A 899 -6.071 -18.168 -0.989 1.00 64.32 H new ATOM 0 HA THR A 899 -8.578 -16.889 -1.991 1.00 74.50 H new ATOM 0 HB THR A 899 -9.837 -18.291 -0.639 1.00 71.44 H new ATOM 0 HG1 THR A 899 -8.717 -19.407 1.143 1.00 34.35 H new ATOM 0 HG21 THR A 899 -9.112 -20.628 -0.967 1.00 3.32 H new ATOM 0 HG22 THR A 899 -8.834 -19.681 -2.449 1.00 3.32 H new ATOM 0 HG23 THR A 899 -7.471 -20.074 -1.374 1.00 3.32 H new ATOM 1761 N GLY A 900 -6.835 -16.507 0.748 1.00 4.24 N ATOM 1762 CA GLY A 900 -6.501 -15.542 1.782 1.00 14.24 C ATOM 1763 C GLY A 900 -7.379 -15.740 3.020 1.00 2.32 C ATOM 1764 O GLY A 900 -7.436 -14.872 3.890 1.00 53.21 O ATOM 0 H GLY A 900 -6.321 -17.386 0.803 1.00 4.24 H new ATOM 0 HA2 GLY A 900 -5.451 -15.646 2.056 1.00 14.24 H new ATOM 0 HA3 GLY A 900 -6.632 -14.531 1.397 1.00 14.24 H new ATOM 1768 N VAL A 901 -8.040 -16.887 3.060 1.00 13.01 N ATOM 1769 CA VAL A 901 -8.912 -17.210 4.177 1.00 40.11 C ATOM 1770 C VAL A 901 -8.102 -17.924 5.261 1.00 42.22 C ATOM 1771 O VAL A 901 -7.650 -19.051 5.062 1.00 13.43 O ATOM 1772 CB VAL A 901 -10.108 -18.029 3.687 1.00 20.04 C ATOM 1773 CG1 VAL A 901 -11.207 -18.083 4.750 1.00 55.51 C ATOM 1774 CG2 VAL A 901 -10.648 -17.476 2.367 1.00 43.10 C ATOM 0 H VAL A 901 -7.990 -17.605 2.337 1.00 13.01 H new ATOM 0 HA VAL A 901 -9.318 -16.301 4.621 1.00 40.11 H new ATOM 0 HB VAL A 901 -9.765 -19.048 3.507 1.00 20.04 H new ATOM 0 HG11 VAL A 901 -12.046 -18.671 4.377 1.00 55.51 H new ATOM 0 HG12 VAL A 901 -10.815 -18.545 5.656 1.00 55.51 H new ATOM 0 HG13 VAL A 901 -11.545 -17.072 4.976 1.00 55.51 H new ATOM 0 HG21 VAL A 901 -11.497 -18.076 2.041 1.00 43.10 H new ATOM 0 HG22 VAL A 901 -10.967 -16.443 2.508 1.00 43.10 H new ATOM 0 HG23 VAL A 901 -9.865 -17.514 1.609 1.00 43.10 H new ATOM 1784 N GLN A 902 -7.942 -17.238 6.383 1.00 33.43 N ATOM 1785 CA GLN A 902 -7.194 -17.793 7.499 1.00 54.01 C ATOM 1786 C GLN A 902 -8.143 -18.471 8.490 1.00 53.54 C ATOM 1787 O GLN A 902 -9.260 -18.002 8.705 1.00 2.41 O ATOM 1788 CB GLN A 902 -6.360 -16.713 8.190 1.00 23.13 C ATOM 1789 CG GLN A 902 -7.258 -15.667 8.854 1.00 64.01 C ATOM 1790 CD GLN A 902 -6.569 -15.047 10.072 1.00 75.12 C ATOM 1791 OE1 GLN A 902 -7.194 -14.703 11.062 1.00 51.03 O ATOM 1792 NE2 GLN A 902 -5.251 -14.925 9.944 1.00 13.33 N ATOM 0 H GLN A 902 -8.317 -16.303 6.544 1.00 33.43 H new ATOM 0 HA GLN A 902 -6.507 -18.545 7.112 1.00 54.01 H new ATOM 0 HB2 GLN A 902 -5.714 -17.171 8.939 1.00 23.13 H new ATOM 0 HB3 GLN A 902 -5.710 -16.229 7.461 1.00 23.13 H new ATOM 0 HG2 GLN A 902 -7.506 -14.886 8.135 1.00 64.01 H new ATOM 0 HG3 GLN A 902 -8.197 -16.129 9.159 1.00 64.01 H new ATOM 0 HE21 GLN A 902 -4.791 -15.234 9.087 1.00 13.33 H new ATOM 0 HE22 GLN A 902 -4.700 -14.523 10.702 1.00 13.33 H new ATOM 1801 N THR A 903 -7.664 -19.563 9.066 1.00 32.01 N ATOM 1802 CA THR A 903 -8.456 -20.310 10.029 1.00 41.22 C ATOM 1803 C THR A 903 -7.544 -21.047 11.012 1.00 51.41 C ATOM 1804 O THR A 903 -6.467 -21.508 10.638 1.00 21.44 O ATOM 1805 CB THR A 903 -9.390 -21.240 9.253 1.00 52.05 C ATOM 1806 OG1 THR A 903 -9.805 -20.461 8.134 1.00 65.04 O ATOM 1807 CG2 THR A 903 -10.689 -21.528 10.007 1.00 35.25 C ATOM 0 H THR A 903 -6.737 -19.949 8.885 1.00 32.01 H new ATOM 0 HA THR A 903 -9.068 -19.645 10.638 1.00 41.22 H new ATOM 0 HB THR A 903 -8.876 -22.178 9.044 1.00 52.05 H new ATOM 0 HG1 THR A 903 -9.181 -20.597 7.391 1.00 65.04 H new ATOM 0 HG21 THR A 903 -11.315 -22.193 9.412 1.00 35.25 H new ATOM 0 HG22 THR A 903 -10.459 -22.004 10.960 1.00 35.25 H new ATOM 0 HG23 THR A 903 -11.220 -20.593 10.187 1.00 35.25 H new ATOM 1815 N LEU A 904 -8.009 -21.134 12.249 1.00 14.23 N ATOM 1816 CA LEU A 904 -7.249 -21.807 13.289 1.00 53.30 C ATOM 1817 C LEU A 904 -8.077 -22.964 13.852 1.00 11.42 C ATOM 1818 O LEU A 904 -9.104 -22.743 14.492 1.00 1.24 O ATOM 1819 CB LEU A 904 -6.790 -20.805 14.351 1.00 53.05 C ATOM 1820 CG LEU A 904 -7.683 -19.578 14.546 1.00 74.04 C ATOM 1821 CD1 LEU A 904 -8.930 -19.931 15.359 1.00 72.33 C ATOM 1822 CD2 LEU A 904 -6.899 -18.423 15.172 1.00 71.04 C ATOM 0 H LEU A 904 -8.903 -20.750 12.555 1.00 14.23 H new ATOM 0 HA LEU A 904 -6.337 -22.238 12.876 1.00 53.30 H new ATOM 0 HB2 LEU A 904 -6.711 -21.327 15.304 1.00 53.05 H new ATOM 0 HB3 LEU A 904 -5.788 -20.463 14.091 1.00 53.05 H new ATOM 0 HG LEU A 904 -8.022 -19.243 13.566 1.00 74.04 H new ATOM 0 HD11 LEU A 904 -9.547 -19.041 15.483 1.00 72.33 H new ATOM 0 HD12 LEU A 904 -9.500 -20.698 14.836 1.00 72.33 H new ATOM 0 HD13 LEU A 904 -8.632 -20.305 16.338 1.00 72.33 H new ATOM 0 HD21 LEU A 904 -7.557 -17.564 15.300 1.00 71.04 H new ATOM 0 HD22 LEU A 904 -6.511 -18.731 16.143 1.00 71.04 H new ATOM 0 HD23 LEU A 904 -6.069 -18.151 14.520 1.00 71.04 H new ATOM 1834 N TYR A 905 -7.599 -24.172 13.593 1.00 13.13 N ATOM 1835 CA TYR A 905 -8.282 -25.364 14.066 1.00 14.15 C ATOM 1836 C TYR A 905 -8.019 -25.592 15.556 1.00 23.12 C ATOM 1837 O TYR A 905 -7.202 -24.898 16.159 1.00 0.32 O ATOM 1838 CB TYR A 905 -7.693 -26.531 13.272 1.00 72.02 C ATOM 1839 CG TYR A 905 -8.007 -26.486 11.775 1.00 2.01 C ATOM 1840 CD1 TYR A 905 -9.310 -26.333 11.347 1.00 0.44 C ATOM 1841 CD2 TYR A 905 -6.987 -26.599 10.852 1.00 5.34 C ATOM 1842 CE1 TYR A 905 -9.605 -26.290 9.939 1.00 72.34 C ATOM 1843 CE2 TYR A 905 -7.282 -26.556 9.444 1.00 63.33 C ATOM 1844 CZ TYR A 905 -8.577 -26.404 9.056 1.00 25.23 C ATOM 1845 OH TYR A 905 -8.855 -26.364 7.726 1.00 73.22 O ATOM 0 H TYR A 905 -6.747 -24.351 13.062 1.00 13.13 H new ATOM 0 HA TYR A 905 -9.359 -25.268 13.931 1.00 14.15 H new ATOM 0 HB2 TYR A 905 -6.611 -26.539 13.406 1.00 72.02 H new ATOM 0 HB3 TYR A 905 -8.072 -27.466 13.684 1.00 72.02 H new ATOM 0 HD1 TYR A 905 -10.109 -26.246 12.069 1.00 0.44 H new ATOM 0 HD2 TYR A 905 -5.967 -26.720 11.186 1.00 5.34 H new ATOM 0 HE1 TYR A 905 -10.620 -26.170 9.591 1.00 72.34 H new ATOM 0 HE2 TYR A 905 -6.493 -26.642 8.712 1.00 63.33 H new ATOM 0 HH TYR A 905 -8.024 -26.456 7.215 1.00 73.22 H new ATOM 1855 N SER A 906 -8.726 -26.568 16.107 1.00 43.01 N ATOM 1856 CA SER A 906 -8.578 -26.896 17.515 1.00 74.43 C ATOM 1857 C SER A 906 -8.013 -28.310 17.666 1.00 62.02 C ATOM 1858 O SER A 906 -7.218 -28.571 18.567 1.00 20.44 O ATOM 1859 CB SER A 906 -9.914 -26.778 18.251 1.00 54.23 C ATOM 1860 OG SER A 906 -10.910 -27.630 17.691 1.00 62.12 O ATOM 0 H SER A 906 -9.403 -27.142 15.604 1.00 43.01 H new ATOM 0 HA SER A 906 -7.884 -26.184 17.961 1.00 74.43 H new ATOM 0 HB2 SER A 906 -9.772 -27.029 19.302 1.00 54.23 H new ATOM 0 HB3 SER A 906 -10.258 -25.745 18.213 1.00 54.23 H new ATOM 0 HG SER A 906 -11.747 -27.527 18.190 1.00 62.12 H new ATOM 1866 N LYS A 907 -8.445 -29.185 16.769 1.00 0.34 N ATOM 1867 CA LYS A 907 -7.992 -30.565 16.792 1.00 63.04 C ATOM 1868 C LYS A 907 -7.221 -30.865 15.504 1.00 32.13 C ATOM 1869 O LYS A 907 -7.359 -30.150 14.513 1.00 73.10 O ATOM 1870 CB LYS A 907 -9.168 -31.511 17.039 1.00 72.41 C ATOM 1871 CG LYS A 907 -8.690 -32.836 17.638 1.00 12.53 C ATOM 1872 CD LYS A 907 -7.998 -32.610 18.984 1.00 50.00 C ATOM 1873 CE LYS A 907 -8.767 -31.595 19.833 1.00 45.05 C ATOM 1874 NZ LYS A 907 -10.208 -31.931 19.864 1.00 44.14 N ATOM 0 H LYS A 907 -9.104 -28.965 16.022 1.00 0.34 H new ATOM 0 HA LYS A 907 -7.304 -30.727 17.622 1.00 63.04 H new ATOM 0 HB2 LYS A 907 -9.883 -31.040 17.714 1.00 72.41 H new ATOM 0 HB3 LYS A 907 -9.691 -31.699 16.101 1.00 72.41 H new ATOM 0 HG2 LYS A 907 -9.539 -33.507 17.769 1.00 12.53 H new ATOM 0 HG3 LYS A 907 -8.001 -33.324 16.948 1.00 12.53 H new ATOM 0 HD2 LYS A 907 -7.922 -33.555 19.521 1.00 50.00 H new ATOM 0 HD3 LYS A 907 -6.981 -32.255 18.819 1.00 50.00 H new ATOM 0 HE2 LYS A 907 -8.368 -31.584 20.847 1.00 45.05 H new ATOM 0 HE3 LYS A 907 -8.630 -30.593 19.426 1.00 45.05 H new ATOM 0 HZ1 LYS A 907 -10.733 -31.263 19.265 1.00 44.14 H new ATOM 0 HZ2 LYS A 907 -10.347 -32.898 19.508 1.00 44.14 H new ATOM 0 HZ3 LYS A 907 -10.558 -31.868 20.841 1.00 44.14 H new ATOM 1887 N TRP A 908 -6.427 -31.924 15.561 1.00 5.32 N ATOM 1888 CA TRP A 908 -5.634 -32.327 14.412 1.00 21.11 C ATOM 1889 C TRP A 908 -6.525 -33.165 13.493 1.00 34.15 C ATOM 1890 O TRP A 908 -6.371 -33.132 12.274 1.00 61.14 O ATOM 1891 CB TRP A 908 -4.367 -33.065 14.851 1.00 15.54 C ATOM 1892 CG TRP A 908 -3.614 -32.381 15.995 1.00 74.43 C ATOM 1893 CD1 TRP A 908 -2.573 -31.542 15.911 1.00 13.05 C ATOM 1894 CD2 TRP A 908 -3.889 -32.515 17.405 1.00 4.44 C ATOM 1895 NE1 TRP A 908 -2.158 -31.126 17.160 1.00 22.01 N ATOM 1896 CE2 TRP A 908 -2.983 -31.736 18.097 1.00 33.34 C ATOM 1897 CE3 TRP A 908 -4.869 -33.268 18.075 1.00 53.35 C ATOM 1898 CZ2 TRP A 908 -2.968 -31.636 19.494 1.00 53.13 C ATOM 1899 CZ3 TRP A 908 -4.841 -33.157 19.470 1.00 50.41 C ATOM 1900 CH2 TRP A 908 -3.936 -32.378 20.181 1.00 11.45 C ATOM 0 H TRP A 908 -6.316 -32.515 16.385 1.00 5.32 H new ATOM 0 HA TRP A 908 -5.286 -31.455 13.859 1.00 21.11 H new ATOM 0 HB2 TRP A 908 -4.636 -34.075 15.159 1.00 15.54 H new ATOM 0 HB3 TRP A 908 -3.699 -33.160 13.995 1.00 15.54 H new ATOM 0 HD1 TRP A 908 -2.116 -31.230 14.983 1.00 13.05 H new ATOM 0 HE1 TRP A 908 -1.387 -30.488 17.359 1.00 22.01 H new ATOM 0 HE3 TRP A 908 -5.587 -33.884 17.554 1.00 53.35 H new ATOM 0 HZ2 TRP A 908 -2.249 -31.020 20.013 1.00 53.13 H new ATOM 0 HZ3 TRP A 908 -5.574 -33.716 20.033 1.00 50.41 H new ATOM 0 HH2 TRP A 908 -3.979 -32.345 21.260 1.00 11.45 H new ATOM 1911 N LYS A 909 -7.439 -33.896 14.115 1.00 61.53 N ATOM 1912 CA LYS A 909 -8.355 -34.742 13.368 1.00 13.32 C ATOM 1913 C LYS A 909 -8.907 -33.959 12.175 1.00 41.01 C ATOM 1914 O LYS A 909 -9.266 -34.546 11.155 1.00 34.15 O ATOM 1915 CB LYS A 909 -9.440 -35.302 14.291 1.00 42.23 C ATOM 1916 CG LYS A 909 -10.481 -34.232 14.625 1.00 11.24 C ATOM 1917 CD LYS A 909 -11.766 -34.866 15.161 1.00 74.23 C ATOM 1918 CE LYS A 909 -12.571 -33.861 15.987 1.00 0.11 C ATOM 1919 NZ LYS A 909 -13.995 -34.260 16.045 1.00 11.33 N ATOM 0 H LYS A 909 -7.565 -33.920 15.127 1.00 61.53 H new ATOM 0 HA LYS A 909 -7.831 -35.609 12.966 1.00 13.32 H new ATOM 0 HB2 LYS A 909 -9.927 -36.151 13.812 1.00 42.23 H new ATOM 0 HB3 LYS A 909 -8.985 -35.672 15.210 1.00 42.23 H new ATOM 0 HG2 LYS A 909 -10.075 -33.543 15.366 1.00 11.24 H new ATOM 0 HG3 LYS A 909 -10.705 -33.646 13.733 1.00 11.24 H new ATOM 0 HD2 LYS A 909 -12.372 -35.227 14.330 1.00 74.23 H new ATOM 0 HD3 LYS A 909 -11.520 -35.732 15.775 1.00 74.23 H new ATOM 0 HE2 LYS A 909 -12.163 -33.801 16.996 1.00 0.11 H new ATOM 0 HE3 LYS A 909 -12.483 -32.867 15.548 1.00 0.11 H new ATOM 0 HZ1 LYS A 909 -14.500 -33.647 16.717 1.00 11.33 H new ATOM 0 HZ2 LYS A 909 -14.421 -34.164 15.101 1.00 11.33 H new ATOM 0 HZ3 LYS A 909 -14.066 -35.249 16.358 1.00 11.33 H new ATOM 1932 N ASP A 910 -8.957 -32.646 12.341 1.00 4.54 N ATOM 1933 CA ASP A 910 -9.458 -31.776 11.291 1.00 73.33 C ATOM 1934 C ASP A 910 -8.289 -31.303 10.425 1.00 73.25 C ATOM 1935 O ASP A 910 -8.243 -30.143 10.018 1.00 22.21 O ATOM 1936 CB ASP A 910 -10.142 -30.540 11.878 1.00 31.22 C ATOM 1937 CG ASP A 910 -11.104 -29.821 10.930 1.00 63.11 C ATOM 1938 OD1 ASP A 910 -10.684 -29.021 10.081 1.00 50.40 O ATOM 1939 OD2 ASP A 910 -12.349 -30.115 11.091 1.00 74.25 O ATOM 0 H ASP A 910 -8.658 -32.163 13.188 1.00 4.54 H new ATOM 0 HA ASP A 910 -10.180 -32.341 10.702 1.00 73.33 H new ATOM 0 HB2 ASP A 910 -10.691 -30.837 12.772 1.00 31.22 H new ATOM 0 HB3 ASP A 910 -9.374 -29.835 12.196 1.00 31.22 H new ATOM 1945 N PHE A 911 -7.374 -32.226 10.168 1.00 44.44 N ATOM 1946 CA PHE A 911 -6.208 -31.917 9.357 1.00 24.31 C ATOM 1947 C PHE A 911 -6.560 -31.914 7.868 1.00 12.12 C ATOM 1948 O PHE A 911 -7.534 -32.542 7.456 1.00 52.32 O ATOM 1949 CB PHE A 911 -5.176 -33.015 9.622 1.00 23.31 C ATOM 1950 CG PHE A 911 -5.682 -34.429 9.328 1.00 21.03 C ATOM 1951 CD1 PHE A 911 -5.946 -34.804 8.048 1.00 23.50 C ATOM 1952 CD2 PHE A 911 -5.868 -35.310 10.347 1.00 31.14 C ATOM 1953 CE1 PHE A 911 -6.415 -36.116 7.775 1.00 35.44 C ATOM 1954 CE2 PHE A 911 -6.338 -36.622 10.075 1.00 60.12 C ATOM 1955 CZ PHE A 911 -6.602 -36.998 8.794 1.00 2.54 C ATOM 0 H PHE A 911 -7.416 -33.187 10.507 1.00 44.44 H new ATOM 0 HA PHE A 911 -5.827 -30.929 9.615 1.00 24.31 H new ATOM 0 HB2 PHE A 911 -4.292 -32.823 9.014 1.00 23.31 H new ATOM 0 HB3 PHE A 911 -4.863 -32.962 10.665 1.00 23.31 H new ATOM 0 HD1 PHE A 911 -5.799 -34.104 7.239 1.00 23.50 H new ATOM 0 HD2 PHE A 911 -5.658 -35.012 11.364 1.00 31.14 H new ATOM 0 HE1 PHE A 911 -6.623 -36.414 6.758 1.00 35.44 H new ATOM 0 HE2 PHE A 911 -6.486 -37.321 10.885 1.00 60.12 H new ATOM 0 HZ PHE A 911 -6.960 -37.996 8.586 1.00 2.54 H new ATOM 1965 N HIS A 912 -5.749 -31.200 7.102 1.00 5.22 N ATOM 1966 CA HIS A 912 -5.962 -31.106 5.668 1.00 35.41 C ATOM 1967 C HIS A 912 -4.727 -31.627 4.930 1.00 53.50 C ATOM 1968 O HIS A 912 -4.591 -31.428 3.724 1.00 43.41 O ATOM 1969 CB HIS A 912 -6.336 -29.678 5.266 1.00 25.04 C ATOM 1970 CG HIS A 912 -7.016 -29.576 3.922 1.00 10.11 C ATOM 1971 ND1 HIS A 912 -7.188 -28.374 3.259 1.00 55.25 N ATOM 1972 CD2 HIS A 912 -7.564 -30.538 3.125 1.00 5.11 C ATOM 1973 CE1 HIS A 912 -7.814 -28.613 2.115 1.00 24.12 C ATOM 1974 NE2 HIS A 912 -8.046 -29.955 2.035 1.00 43.24 N ATOM 0 H HIS A 912 -4.942 -30.680 7.448 1.00 5.22 H new ATOM 0 HA HIS A 912 -6.805 -31.734 5.380 1.00 35.41 H new ATOM 0 HB2 HIS A 912 -6.994 -29.258 6.027 1.00 25.04 H new ATOM 0 HB3 HIS A 912 -5.433 -29.067 5.252 1.00 25.04 H new ATOM 0 HD2 HIS A 912 -7.599 -31.595 3.344 1.00 5.11 H new ATOM 0 HE1 HIS A 912 -8.091 -27.875 1.377 1.00 24.12 H new ATOM 0 HE2 HIS A 912 -8.513 -30.432 1.264 1.00 43.24 H new ATOM 1982 N PHE A 913 -3.859 -32.283 5.685 1.00 10.24 N ATOM 1983 CA PHE A 913 -2.640 -32.833 5.118 1.00 24.12 C ATOM 1984 C PHE A 913 -2.618 -34.358 5.239 1.00 75.33 C ATOM 1985 O PHE A 913 -3.599 -34.964 5.669 1.00 24.21 O ATOM 1986 CB PHE A 913 -1.472 -32.254 5.920 1.00 54.22 C ATOM 1987 CG PHE A 913 -1.635 -30.775 6.275 1.00 10.52 C ATOM 1988 CD1 PHE A 913 -2.185 -29.916 5.375 1.00 1.55 C ATOM 1989 CD2 PHE A 913 -1.230 -30.319 7.491 1.00 42.33 C ATOM 1990 CE1 PHE A 913 -2.336 -28.543 5.705 1.00 2.33 C ATOM 1991 CE2 PHE A 913 -1.381 -28.946 7.821 1.00 43.35 C ATOM 1992 CZ PHE A 913 -1.930 -28.087 6.921 1.00 55.32 C ATOM 0 H PHE A 913 -3.976 -32.446 6.685 1.00 10.24 H new ATOM 0 HA PHE A 913 -2.574 -32.578 4.060 1.00 24.12 H new ATOM 0 HB2 PHE A 913 -1.356 -32.827 6.840 1.00 54.22 H new ATOM 0 HB3 PHE A 913 -0.553 -32.381 5.348 1.00 54.22 H new ATOM 0 HD1 PHE A 913 -2.507 -30.278 4.410 1.00 1.55 H new ATOM 0 HD2 PHE A 913 -0.794 -31.001 8.206 1.00 42.33 H new ATOM 0 HE1 PHE A 913 -2.773 -27.861 4.991 1.00 2.33 H new ATOM 0 HE2 PHE A 913 -1.060 -28.584 8.787 1.00 43.35 H new ATOM 0 HZ PHE A 913 -2.044 -27.043 7.171 1.00 55.32 H new ATOM 2002 N GLU A 914 -1.490 -34.935 4.851 1.00 55.02 N ATOM 2003 CA GLU A 914 -1.329 -36.378 4.910 1.00 2.20 C ATOM 2004 C GLU A 914 0.040 -36.735 5.494 1.00 74.12 C ATOM 2005 O GLU A 914 0.913 -35.877 5.607 1.00 45.23 O ATOM 2006 CB GLU A 914 -1.517 -37.008 3.529 1.00 41.35 C ATOM 2007 CG GLU A 914 -0.283 -36.786 2.652 1.00 43.51 C ATOM 2008 CD GLU A 914 -0.569 -37.161 1.197 1.00 70.44 C ATOM 2009 OE1 GLU A 914 -1.292 -36.434 0.499 1.00 22.22 O ATOM 2010 OE2 GLU A 914 -0.009 -38.252 0.795 1.00 75.10 O ATOM 0 H GLU A 914 -0.679 -34.429 4.495 1.00 55.02 H new ATOM 0 HA GLU A 914 -2.100 -36.784 5.565 1.00 2.20 H new ATOM 0 HB2 GLU A 914 -1.704 -38.076 3.635 1.00 41.35 H new ATOM 0 HB3 GLU A 914 -2.394 -36.577 3.045 1.00 41.35 H new ATOM 0 HG2 GLU A 914 0.024 -35.742 2.708 1.00 43.51 H new ATOM 0 HG3 GLU A 914 0.547 -37.383 3.029 1.00 43.51 H new ATOM 2018 N LYS A 915 0.183 -38.003 5.849 1.00 30.33 N ATOM 2019 CA LYS A 915 1.430 -38.485 6.419 1.00 42.44 C ATOM 2020 C LYS A 915 2.530 -38.417 5.357 1.00 0.41 C ATOM 2021 O LYS A 915 2.416 -39.034 4.299 1.00 12.23 O ATOM 2022 CB LYS A 915 1.242 -39.879 7.021 1.00 52.55 C ATOM 2023 CG LYS A 915 0.556 -40.817 6.026 1.00 74.11 C ATOM 2024 CD LYS A 915 0.862 -42.280 6.351 1.00 25.24 C ATOM 2025 CE LYS A 915 -0.084 -42.812 7.430 1.00 64.13 C ATOM 2026 NZ LYS A 915 -1.324 -43.338 6.817 1.00 21.42 N ATOM 0 H LYS A 915 -0.544 -38.712 5.753 1.00 30.33 H new ATOM 0 HA LYS A 915 1.743 -37.847 7.245 1.00 42.44 H new ATOM 0 HB2 LYS A 915 2.211 -40.290 7.305 1.00 52.55 H new ATOM 0 HB3 LYS A 915 0.646 -39.809 7.931 1.00 52.55 H new ATOM 0 HG2 LYS A 915 -0.521 -40.653 6.050 1.00 74.11 H new ATOM 0 HG3 LYS A 915 0.891 -40.588 5.014 1.00 74.11 H new ATOM 0 HD2 LYS A 915 0.767 -42.884 5.449 1.00 25.24 H new ATOM 0 HD3 LYS A 915 1.894 -42.373 6.689 1.00 25.24 H new ATOM 0 HE2 LYS A 915 0.410 -43.599 7.999 1.00 64.13 H new ATOM 0 HE3 LYS A 915 -0.328 -42.016 8.133 1.00 64.13 H new ATOM 0 HZ1 LYS A 915 -1.955 -43.695 7.562 1.00 21.42 H new ATOM 0 HZ2 LYS A 915 -1.802 -42.577 6.293 1.00 21.42 H new ATOM 0 HZ3 LYS A 915 -1.087 -44.112 6.164 1.00 21.42 H new ATOM 2039 N ILE A 916 3.570 -37.661 5.676 1.00 25.15 N ATOM 2040 CA ILE A 916 4.690 -37.504 4.764 1.00 70.55 C ATOM 2041 C ILE A 916 5.998 -37.727 5.525 1.00 43.12 C ATOM 2042 O ILE A 916 6.125 -37.324 6.680 1.00 34.52 O ATOM 2043 CB ILE A 916 4.615 -36.152 4.051 1.00 23.51 C ATOM 2044 CG1 ILE A 916 3.349 -36.051 3.198 1.00 31.43 C ATOM 2045 CG2 ILE A 916 5.881 -35.894 3.231 1.00 72.31 C ATOM 2046 CD1 ILE A 916 2.962 -34.590 2.962 1.00 63.01 C ATOM 0 H ILE A 916 3.661 -37.150 6.554 1.00 25.15 H new ATOM 0 HA ILE A 916 4.648 -38.256 3.976 1.00 70.55 H new ATOM 0 HB ILE A 916 4.556 -35.370 4.808 1.00 23.51 H new ATOM 0 HG12 ILE A 916 3.510 -36.547 2.241 1.00 31.43 H new ATOM 0 HG13 ILE A 916 2.530 -36.572 3.693 1.00 31.43 H new ATOM 0 HG21 ILE A 916 5.802 -34.927 2.734 1.00 72.31 H new ATOM 0 HG22 ILE A 916 6.748 -35.893 3.891 1.00 72.31 H new ATOM 0 HG23 ILE A 916 5.996 -36.678 2.482 1.00 72.31 H new ATOM 0 HD11 ILE A 916 2.059 -34.547 2.353 1.00 63.01 H new ATOM 0 HD12 ILE A 916 2.778 -34.103 3.920 1.00 63.01 H new ATOM 0 HD13 ILE A 916 3.773 -34.078 2.445 1.00 63.01 H new ATOM 2058 N PRO A 917 6.964 -38.384 4.828 1.00 20.23 N ATOM 2059 CA PRO A 917 8.258 -38.665 5.426 1.00 21.02 C ATOM 2060 C PRO A 917 9.118 -37.401 5.492 1.00 14.13 C ATOM 2061 O PRO A 917 9.337 -36.741 4.477 1.00 21.45 O ATOM 2062 CB PRO A 917 8.866 -39.752 4.555 1.00 24.02 C ATOM 2063 CG PRO A 917 8.101 -39.711 3.243 1.00 70.35 C ATOM 2064 CD PRO A 917 6.850 -38.876 3.458 1.00 11.53 C ATOM 0 HA PRO A 917 8.180 -38.999 6.461 1.00 21.02 H new ATOM 0 HB2 PRO A 917 9.929 -39.574 4.393 1.00 24.02 H new ATOM 0 HB3 PRO A 917 8.775 -40.729 5.030 1.00 24.02 H new ATOM 0 HG2 PRO A 917 8.718 -39.279 2.455 1.00 70.35 H new ATOM 0 HG3 PRO A 917 7.837 -40.719 2.924 1.00 70.35 H new ATOM 0 HD2 PRO A 917 6.796 -38.053 2.745 1.00 11.53 H new ATOM 0 HD3 PRO A 917 5.948 -39.473 3.325 1.00 11.53 H new ATOM 2072 N PHE A 918 9.581 -37.101 6.697 1.00 72.21 N ATOM 2073 CA PHE A 918 10.412 -35.928 6.909 1.00 55.14 C ATOM 2074 C PHE A 918 11.745 -36.059 6.170 1.00 72.44 C ATOM 2075 O PHE A 918 12.599 -36.854 6.559 1.00 32.32 O ATOM 2076 CB PHE A 918 10.682 -35.837 8.412 1.00 40.13 C ATOM 2077 CG PHE A 918 10.973 -34.419 8.907 1.00 41.32 C ATOM 2078 CD1 PHE A 918 12.238 -33.924 8.846 1.00 3.43 C ATOM 2079 CD2 PHE A 918 9.966 -33.653 9.407 1.00 25.23 C ATOM 2080 CE1 PHE A 918 12.508 -32.607 9.306 1.00 64.33 C ATOM 2081 CE2 PHE A 918 10.237 -32.337 9.867 1.00 74.13 C ATOM 2082 CZ PHE A 918 11.502 -31.842 9.806 1.00 12.12 C ATOM 0 H PHE A 918 9.396 -37.650 7.536 1.00 72.21 H new ATOM 0 HA PHE A 918 9.905 -35.040 6.532 1.00 55.14 H new ATOM 0 HB2 PHE A 918 9.819 -36.229 8.950 1.00 40.13 H new ATOM 0 HB3 PHE A 918 11.529 -36.478 8.658 1.00 40.13 H new ATOM 0 HD1 PHE A 918 13.037 -34.532 8.448 1.00 3.43 H new ATOM 0 HD2 PHE A 918 8.961 -34.046 9.454 1.00 25.23 H new ATOM 0 HE1 PHE A 918 13.513 -32.214 9.258 1.00 64.33 H new ATOM 0 HE2 PHE A 918 9.438 -31.729 10.265 1.00 74.13 H new ATOM 0 HZ PHE A 918 11.707 -30.841 10.155 1.00 12.12 H new ATOM 2092 N ASP A 919 11.881 -35.268 5.116 1.00 4.20 N ATOM 2093 CA ASP A 919 13.096 -35.286 4.319 1.00 41.31 C ATOM 2094 C ASP A 919 14.174 -34.457 5.021 1.00 71.21 C ATOM 2095 O ASP A 919 13.928 -33.318 5.415 1.00 32.55 O ATOM 2096 CB ASP A 919 12.857 -34.676 2.936 1.00 13.13 C ATOM 2097 CG ASP A 919 12.423 -35.670 1.857 1.00 31.14 C ATOM 2098 OD1 ASP A 919 12.582 -36.890 2.012 1.00 65.13 O ATOM 2099 OD2 ASP A 919 11.894 -35.139 0.808 1.00 55.13 O ATOM 0 H ASP A 919 11.170 -34.611 4.795 1.00 4.20 H new ATOM 0 HA ASP A 919 13.410 -36.324 4.206 1.00 41.31 H new ATOM 0 HB2 ASP A 919 12.094 -33.902 3.024 1.00 13.13 H new ATOM 0 HB3 ASP A 919 13.773 -34.185 2.609 1.00 13.13 H new ATOM 2105 N PRO A 920 15.377 -35.077 5.159 1.00 75.02 N ATOM 2106 CA PRO A 920 16.493 -34.409 5.806 1.00 32.33 C ATOM 2107 C PRO A 920 17.105 -33.350 4.888 1.00 3.42 C ATOM 2108 O PRO A 920 17.829 -32.468 5.348 1.00 15.53 O ATOM 2109 CB PRO A 920 17.465 -35.522 6.160 1.00 23.44 C ATOM 2110 CG PRO A 920 17.078 -36.707 5.290 1.00 41.21 C ATOM 2111 CD PRO A 920 15.704 -36.425 4.704 1.00 63.02 C ATOM 0 HA PRO A 920 16.195 -33.860 6.699 1.00 32.33 H new ATOM 0 HB2 PRO A 920 18.494 -35.217 5.969 1.00 23.44 H new ATOM 0 HB3 PRO A 920 17.399 -35.776 7.218 1.00 23.44 H new ATOM 0 HG2 PRO A 920 17.810 -36.852 4.495 1.00 41.21 H new ATOM 0 HG3 PRO A 920 17.061 -37.624 5.879 1.00 41.21 H new ATOM 0 HD2 PRO A 920 15.718 -36.483 3.616 1.00 63.02 H new ATOM 0 HD3 PRO A 920 14.968 -37.150 5.052 1.00 63.02 H new ATOM 2119 N ALA A 921 16.793 -33.471 3.606 1.00 30.34 N ATOM 2120 CA ALA A 921 17.303 -32.535 2.620 1.00 44.15 C ATOM 2121 C ALA A 921 16.719 -31.147 2.890 1.00 71.04 C ATOM 2122 O ALA A 921 17.285 -30.139 2.469 1.00 15.25 O ATOM 2123 CB ALA A 921 16.974 -33.043 1.215 1.00 74.24 C ATOM 0 H ALA A 921 16.193 -34.204 3.228 1.00 30.34 H new ATOM 0 HA ALA A 921 18.388 -32.456 2.692 1.00 44.15 H new ATOM 0 HB1 ALA A 921 17.357 -32.340 0.475 1.00 74.24 H new ATOM 0 HB2 ALA A 921 17.437 -34.018 1.063 1.00 74.24 H new ATOM 0 HB3 ALA A 921 15.893 -33.133 1.104 1.00 74.24 H new ATOM 2129 N GLU A 922 15.594 -31.140 3.589 1.00 12.23 N ATOM 2130 CA GLU A 922 14.926 -29.892 3.920 1.00 24.34 C ATOM 2131 C GLU A 922 15.469 -29.333 5.237 1.00 44.12 C ATOM 2132 O GLU A 922 15.622 -28.121 5.385 1.00 72.33 O ATOM 2133 CB GLU A 922 13.410 -30.083 3.990 1.00 60.31 C ATOM 2134 CG GLU A 922 12.951 -31.182 3.028 1.00 1.55 C ATOM 2135 CD GLU A 922 11.530 -30.914 2.529 1.00 40.25 C ATOM 2136 OE1 GLU A 922 10.565 -31.063 3.293 1.00 24.23 O ATOM 2137 OE2 GLU A 922 11.447 -30.537 1.298 1.00 40.43 O ATOM 0 H GLU A 922 15.128 -31.978 3.936 1.00 12.23 H new ATOM 0 HA GLU A 922 15.132 -29.171 3.129 1.00 24.34 H new ATOM 0 HB2 GLU A 922 13.119 -30.341 5.008 1.00 60.31 H new ATOM 0 HB3 GLU A 922 12.910 -29.146 3.743 1.00 60.31 H new ATOM 0 HG2 GLU A 922 13.634 -31.237 2.180 1.00 1.55 H new ATOM 0 HG3 GLU A 922 12.988 -32.149 3.530 1.00 1.55 H new ATOM 2145 N MET A 923 15.747 -30.242 6.160 1.00 74.23 N ATOM 2146 CA MET A 923 16.269 -29.855 7.459 1.00 44.21 C ATOM 2147 C MET A 923 17.478 -28.928 7.310 1.00 73.04 C ATOM 2148 O MET A 923 17.516 -27.852 7.904 1.00 25.03 O ATOM 2149 CB MET A 923 16.679 -31.106 8.238 1.00 32.04 C ATOM 2150 CG MET A 923 17.429 -30.733 9.519 1.00 70.32 C ATOM 2151 SD MET A 923 17.470 -32.129 10.631 1.00 60.14 S ATOM 2152 CE MET A 923 15.778 -32.124 11.198 1.00 54.52 C ATOM 0 H MET A 923 15.620 -31.246 6.034 1.00 74.23 H new ATOM 0 HA MET A 923 15.488 -29.320 7.999 1.00 44.21 H new ATOM 0 HB2 MET A 923 15.793 -31.690 8.488 1.00 32.04 H new ATOM 0 HB3 MET A 923 17.311 -31.737 7.613 1.00 32.04 H new ATOM 0 HG2 MET A 923 18.445 -30.420 9.277 1.00 70.32 H new ATOM 0 HG3 MET A 923 16.941 -29.887 10.002 1.00 70.32 H new ATOM 0 HE1 MET A 923 15.731 -32.534 12.207 1.00 54.52 H new ATOM 0 HE2 MET A 923 15.399 -31.102 11.204 1.00 54.52 H new ATOM 0 HE3 MET A 923 15.169 -32.733 10.530 1.00 54.52 H new ATOM 2162 N SER A 924 18.435 -29.380 6.512 1.00 15.41 N ATOM 2163 CA SER A 924 19.641 -28.604 6.277 1.00 32.30 C ATOM 2164 C SER A 924 20.303 -29.049 4.971 1.00 34.23 C ATOM 2165 O SER A 924 19.825 -29.971 4.311 1.00 13.34 O ATOM 2166 CB SER A 924 20.621 -28.744 7.443 1.00 1.13 C ATOM 2167 OG SER A 924 20.275 -27.897 8.536 1.00 71.01 O ATOM 0 H SER A 924 18.400 -30.273 6.021 1.00 15.41 H new ATOM 0 HA SER A 924 19.362 -27.553 6.196 1.00 32.30 H new ATOM 0 HB2 SER A 924 20.639 -29.781 7.779 1.00 1.13 H new ATOM 0 HB3 SER A 924 21.628 -28.502 7.102 1.00 1.13 H new ATOM 0 HG SER A 924 20.924 -28.017 9.261 1.00 71.01 H new ATOM 2173 N LYS A 925 21.392 -28.374 4.637 1.00 2.53 N ATOM 2174 CA LYS A 925 22.125 -28.688 3.422 1.00 14.43 C ATOM 2175 C LYS A 925 22.496 -30.172 3.425 1.00 52.21 C ATOM 2176 O LYS A 925 23.565 -30.547 3.903 1.00 62.11 O ATOM 2177 CB LYS A 925 23.326 -27.753 3.264 1.00 30.42 C ATOM 2178 CG LYS A 925 23.737 -27.633 1.795 1.00 2.34 C ATOM 2179 CD LYS A 925 24.734 -28.729 1.413 1.00 10.32 C ATOM 2180 CE LYS A 925 26.157 -28.342 1.822 1.00 71.40 C ATOM 2181 NZ LYS A 925 27.139 -29.273 1.222 1.00 41.44 N ATOM 0 H LYS A 925 21.785 -27.610 5.187 1.00 2.53 H new ATOM 0 HA LYS A 925 21.501 -28.517 2.545 1.00 14.43 H new ATOM 0 HB2 LYS A 925 23.078 -26.767 3.658 1.00 30.42 H new ATOM 0 HB3 LYS A 925 24.164 -28.129 3.850 1.00 30.42 H new ATOM 0 HG2 LYS A 925 22.854 -27.702 1.160 1.00 2.34 H new ATOM 0 HG3 LYS A 925 24.182 -26.654 1.617 1.00 2.34 H new ATOM 0 HD2 LYS A 925 24.454 -29.665 1.897 1.00 10.32 H new ATOM 0 HD3 LYS A 925 24.695 -28.902 0.338 1.00 10.32 H new ATOM 0 HE2 LYS A 925 26.370 -27.322 1.500 1.00 71.40 H new ATOM 0 HE3 LYS A 925 26.247 -28.359 2.908 1.00 71.40 H new ATOM 0 HZ1 LYS A 925 28.100 -28.997 1.509 1.00 41.44 H new ATOM 0 HZ2 LYS A 925 26.945 -30.241 1.549 1.00 41.44 H new ATOM 0 HZ3 LYS A 925 27.064 -29.236 0.185 1.00 41.44 H new TER 2194 LYS A 925