USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 759 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 826 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 853 GLN : amide:sc= -1.69! C(o=-1.7!,f=-3.8!) USER MOD Set 2.1: A 821 CYS SG : rot 77:sc= -2.62! USER MOD Set 2.2: A 824 HIS : no HE2:sc= -1.1 K(o=-7.3,f=-9.3!) USER MOD Set 2.3: A 861 MET CE :methyl -174:sc= -3.6! (180deg=-0.457) USER MOD Set 3.1: A 801 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-5.2!) USER MOD Set 3.2: A 802 LYS NZ :NH3+ 149:sc= 0.0505 (180deg=0) USER MOD Single : A 785 SER OG : rot 10:sc= 0.771 USER MOD Single : A 786 SER OG : rot 180:sc= 0 USER MOD Single : A 788 SER OG : rot 180:sc= 0 USER MOD Single : A 789 SER OG : rot 180:sc= 0 USER MOD Single : A 794 TYR OH : rot 180:sc= 0 USER MOD Single : A 795 SER OG : rot 180:sc= 0 USER MOD Single : A 796 THR OG1 : rot 180:sc= 0 USER MOD Single : A 797 SER OG : rot 40:sc= 0.218 USER MOD Single : A 800 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 806 SER OG : rot -159:sc= -1.88! USER MOD Single : A 811 SER OG : rot 180:sc= 0 USER MOD Single : A 812 CYS SG : rot 180:sc= -0.15 USER MOD Single : A 813 THR OG1 : rot 180:sc= -0.047 USER MOD Single : A 814 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.787) USER MOD Single : A 822 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 828 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 834 THR OG1 : rot -160:sc= -0.22 USER MOD Single : A 835 ASN : amide:sc= 0.543 K(o=0.54,f=-7!) USER MOD Single : A 839 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 841 LYS NZ :NH3+ -136:sc= -0.781 (180deg=-2.52!) USER MOD Single : A 845 TYR OH : rot 180:sc= 0 USER MOD Single : A 848 TYR OH : rot -168:sc= 0.996 USER MOD Single : A 850 ASN : amide:sc= -0.0102 X(o=-0.01,f=-0.27) USER MOD Single : A 852 SER OG : rot 180:sc= 0 USER MOD Single : A 855 SER OG : rot 180:sc= 0 USER MOD Single : A 856 GLN : amide:sc= -0.0778 X(o=-0.078,f=0) USER MOD Single : A 859 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 860 LYS NZ :NH3+ 156:sc= -0.164 (180deg=-0.898) USER MOD Single : A 864 MET CE :methyl -126:sc= 0 (180deg=-2.32!) USER MOD Single : A 865 THR OG1 : rot 180:sc= 0 USER MOD Single : A 867 LYS NZ :NH3+ -176:sc= -1.62 (180deg=-1.62) USER MOD Single : A 869 ASN : amide:sc= -0.0433 K(o=-0.043,f=-1.4) USER MOD Single : A 872 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 876 SER OG : rot 150:sc= 0 USER MOD Single : A 877 ASN : amide:sc= -0.0414 X(o=-0.041,f=-0.19) USER MOD Single : A 878 SER OG : rot 180:sc= 0 USER MOD Single : A 881 SER OG : rot 180:sc= 0 USER MOD Single : A 882 SER OG : rot 180:sc= -0.191 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 784 9.472 17.467 -5.856 1.00 0.00 N ATOM 2 CA GLY A 784 8.807 16.473 -6.677 1.00 0.00 C ATOM 3 C GLY A 784 9.310 15.068 -6.410 1.00 0.00 C ATOM 4 O GLY A 784 9.788 14.771 -5.316 1.00 0.00 O ATOM 0 HA2 GLY A 784 7.734 16.512 -6.491 1.00 0.00 H new ATOM 0 HA3 GLY A 784 8.958 16.716 -7.729 1.00 0.00 H new ATOM 8 N SER A 785 9.201 14.202 -7.412 1.00 0.00 N ATOM 9 CA SER A 785 9.644 12.819 -7.278 1.00 0.00 C ATOM 10 C SER A 785 9.910 12.199 -8.646 1.00 0.00 C ATOM 11 O SER A 785 9.126 12.368 -9.580 1.00 0.00 O ATOM 12 CB SER A 785 8.595 11.995 -6.528 1.00 0.00 C ATOM 13 OG SER A 785 8.553 12.351 -5.157 1.00 0.00 O ATOM 0 H SER A 785 8.810 14.433 -8.325 1.00 0.00 H new ATOM 0 HA SER A 785 10.574 12.815 -6.709 1.00 0.00 H new ATOM 0 HB2 SER A 785 7.615 12.152 -6.978 1.00 0.00 H new ATOM 0 HB3 SER A 785 8.824 10.934 -6.625 1.00 0.00 H new ATOM 0 HG SER A 785 9.096 13.154 -5.011 1.00 0.00 H new ATOM 19 N SER A 786 11.023 11.480 -8.757 1.00 0.00 N ATOM 20 CA SER A 786 11.396 10.837 -10.011 1.00 0.00 C ATOM 21 C SER A 786 10.690 9.493 -10.164 1.00 0.00 C ATOM 22 O SER A 786 10.206 8.919 -9.190 1.00 0.00 O ATOM 23 CB SER A 786 12.912 10.640 -10.077 1.00 0.00 C ATOM 24 OG SER A 786 13.335 10.372 -11.402 1.00 0.00 O ATOM 0 H SER A 786 11.682 11.328 -7.993 1.00 0.00 H new ATOM 0 HA SER A 786 11.085 11.486 -10.830 1.00 0.00 H new ATOM 0 HB2 SER A 786 13.414 11.533 -9.705 1.00 0.00 H new ATOM 0 HB3 SER A 786 13.203 9.816 -9.425 1.00 0.00 H new ATOM 0 HG SER A 786 14.307 10.252 -11.417 1.00 0.00 H new ATOM 30 N GLY A 787 10.637 8.997 -11.397 1.00 0.00 N ATOM 31 CA GLY A 787 9.989 7.724 -11.656 1.00 0.00 C ATOM 32 C GLY A 787 10.318 7.175 -13.030 1.00 0.00 C ATOM 33 O GLY A 787 11.069 7.790 -13.788 1.00 0.00 O ATOM 0 H GLY A 787 11.031 9.453 -12.220 1.00 0.00 H new ATOM 0 HA2 GLY A 787 10.295 7.003 -10.897 1.00 0.00 H new ATOM 0 HA3 GLY A 787 8.909 7.844 -11.565 1.00 0.00 H new ATOM 37 N SER A 788 9.757 6.014 -13.352 1.00 0.00 N ATOM 38 CA SER A 788 10.000 5.379 -14.642 1.00 0.00 C ATOM 39 C SER A 788 8.696 4.878 -15.255 1.00 0.00 C ATOM 40 O SER A 788 8.296 5.315 -16.334 1.00 0.00 O ATOM 41 CB SER A 788 10.983 4.218 -14.486 1.00 0.00 C ATOM 42 OG SER A 788 12.321 4.657 -14.646 1.00 0.00 O ATOM 0 H SER A 788 9.131 5.494 -12.737 1.00 0.00 H new ATOM 0 HA SER A 788 10.432 6.124 -15.310 1.00 0.00 H new ATOM 0 HB2 SER A 788 10.861 3.764 -13.503 1.00 0.00 H new ATOM 0 HB3 SER A 788 10.759 3.447 -15.223 1.00 0.00 H new ATOM 0 HG SER A 788 12.930 3.896 -14.540 1.00 0.00 H new ATOM 48 N SER A 789 8.038 3.957 -14.558 1.00 0.00 N ATOM 49 CA SER A 789 6.781 3.392 -15.034 1.00 0.00 C ATOM 50 C SER A 789 5.761 4.492 -15.311 1.00 0.00 C ATOM 51 O SER A 789 5.561 5.389 -14.493 1.00 0.00 O ATOM 52 CB SER A 789 6.219 2.407 -14.008 1.00 0.00 C ATOM 53 OG SER A 789 4.990 1.855 -14.449 1.00 0.00 O ATOM 0 H SER A 789 8.355 3.586 -13.662 1.00 0.00 H new ATOM 0 HA SER A 789 6.980 2.862 -15.965 1.00 0.00 H new ATOM 0 HB2 SER A 789 6.939 1.607 -13.835 1.00 0.00 H new ATOM 0 HB3 SER A 789 6.072 2.915 -13.055 1.00 0.00 H new ATOM 0 HG SER A 789 4.653 1.227 -13.776 1.00 0.00 H new ATOM 59 N GLY A 790 5.117 4.416 -16.472 1.00 0.00 N ATOM 60 CA GLY A 790 4.126 5.411 -16.837 1.00 0.00 C ATOM 61 C GLY A 790 3.163 4.909 -17.895 1.00 0.00 C ATOM 62 O GLY A 790 2.756 3.747 -17.873 1.00 0.00 O ATOM 0 H GLY A 790 5.264 3.683 -17.166 1.00 0.00 H new ATOM 0 HA2 GLY A 790 3.565 5.704 -15.949 1.00 0.00 H new ATOM 0 HA3 GLY A 790 4.631 6.305 -17.204 1.00 0.00 H new ATOM 66 N VAL A 791 2.795 5.786 -18.822 1.00 0.00 N ATOM 67 CA VAL A 791 1.872 5.426 -19.893 1.00 0.00 C ATOM 68 C VAL A 791 2.625 5.076 -21.172 1.00 0.00 C ATOM 69 O VAL A 791 3.642 5.690 -21.494 1.00 0.00 O ATOM 70 CB VAL A 791 0.882 6.568 -20.189 1.00 0.00 C ATOM 71 CG1 VAL A 791 -0.009 6.828 -18.984 1.00 0.00 C ATOM 72 CG2 VAL A 791 1.630 7.830 -20.591 1.00 0.00 C ATOM 0 H VAL A 791 3.122 6.752 -18.854 1.00 0.00 H new ATOM 0 HA VAL A 791 1.316 4.553 -19.551 1.00 0.00 H new ATOM 0 HB VAL A 791 0.247 6.268 -21.023 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -0.702 7.638 -19.212 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -0.572 5.925 -18.746 1.00 0.00 H new ATOM 0 HG13 VAL A 791 0.607 7.107 -18.129 1.00 0.00 H new ATOM 0 HG21 VAL A 791 0.915 8.627 -20.797 1.00 0.00 H new ATOM 0 HG22 VAL A 791 2.291 8.136 -19.780 1.00 0.00 H new ATOM 0 HG23 VAL A 791 2.221 7.633 -21.485 1.00 0.00 H new ATOM 82 N PHE A 792 2.118 4.086 -21.898 1.00 0.00 N ATOM 83 CA PHE A 792 2.742 3.653 -23.143 1.00 0.00 C ATOM 84 C PHE A 792 1.881 2.610 -23.849 1.00 0.00 C ATOM 85 O PHE A 792 1.073 1.926 -23.219 1.00 0.00 O ATOM 86 CB PHE A 792 4.134 3.080 -22.868 1.00 0.00 C ATOM 87 CG PHE A 792 5.065 3.178 -24.042 1.00 0.00 C ATOM 88 CD1 PHE A 792 5.559 4.406 -24.451 1.00 0.00 C ATOM 89 CD2 PHE A 792 5.446 2.042 -24.738 1.00 0.00 C ATOM 90 CE1 PHE A 792 6.416 4.499 -25.532 1.00 0.00 C ATOM 91 CE2 PHE A 792 6.303 2.128 -25.819 1.00 0.00 C ATOM 92 CZ PHE A 792 6.789 3.359 -26.216 1.00 0.00 C ATOM 0 H PHE A 792 1.276 3.568 -21.646 1.00 0.00 H new ATOM 0 HA PHE A 792 2.836 4.522 -23.794 1.00 0.00 H new ATOM 0 HB2 PHE A 792 4.574 3.606 -22.021 1.00 0.00 H new ATOM 0 HB3 PHE A 792 4.037 2.034 -22.578 1.00 0.00 H new ATOM 0 HD1 PHE A 792 5.271 5.301 -23.919 1.00 0.00 H new ATOM 0 HD2 PHE A 792 5.069 1.077 -24.432 1.00 0.00 H new ATOM 0 HE1 PHE A 792 6.793 5.463 -25.841 1.00 0.00 H new ATOM 0 HE2 PHE A 792 6.592 1.235 -26.352 1.00 0.00 H new ATOM 0 HZ PHE A 792 7.459 3.429 -27.060 1.00 0.00 H new ATOM 102 N ARG A 793 2.060 2.494 -25.161 1.00 0.00 N ATOM 103 CA ARG A 793 1.299 1.536 -25.954 1.00 0.00 C ATOM 104 C ARG A 793 1.129 0.219 -25.201 1.00 0.00 C ATOM 105 O ARG A 793 0.042 -0.095 -24.717 1.00 0.00 O ATOM 106 CB ARG A 793 1.994 1.284 -27.293 1.00 0.00 C ATOM 107 CG ARG A 793 1.688 2.337 -28.345 1.00 0.00 C ATOM 108 CD ARG A 793 2.666 2.263 -29.508 1.00 0.00 C ATOM 109 NE ARG A 793 2.512 3.389 -30.425 1.00 0.00 N ATOM 110 CZ ARG A 793 3.212 3.525 -31.546 1.00 0.00 C ATOM 111 NH1 ARG A 793 4.110 2.610 -31.886 1.00 0.00 N ATOM 112 NH2 ARG A 793 3.016 4.578 -32.329 1.00 0.00 N ATOM 0 H ARG A 793 2.725 3.051 -25.697 1.00 0.00 H new ATOM 0 HA ARG A 793 0.311 1.959 -26.139 1.00 0.00 H new ATOM 0 HB2 ARG A 793 3.071 1.246 -27.132 1.00 0.00 H new ATOM 0 HB3 ARG A 793 1.693 0.307 -27.671 1.00 0.00 H new ATOM 0 HG2 ARG A 793 0.671 2.200 -28.714 1.00 0.00 H new ATOM 0 HG3 ARG A 793 1.732 3.328 -27.893 1.00 0.00 H new ATOM 0 HD2 ARG A 793 3.686 2.245 -29.124 1.00 0.00 H new ATOM 0 HD3 ARG A 793 2.514 1.330 -30.051 1.00 0.00 H new ATOM 0 HE ARG A 793 1.830 4.111 -30.192 1.00 0.00 H new ATOM 0 HH11 ARG A 793 4.264 1.800 -31.286 1.00 0.00 H new ATOM 0 HH12 ARG A 793 4.646 2.717 -32.747 1.00 0.00 H new ATOM 0 HH21 ARG A 793 2.327 5.284 -32.071 1.00 0.00 H new ATOM 0 HH22 ARG A 793 3.554 4.681 -33.189 1.00 0.00 H new ATOM 126 N TYR A 794 2.211 -0.545 -25.107 1.00 0.00 N ATOM 127 CA TYR A 794 2.182 -1.829 -24.416 1.00 0.00 C ATOM 128 C TYR A 794 1.673 -1.667 -22.987 1.00 0.00 C ATOM 129 O TYR A 794 2.456 -1.516 -22.050 1.00 0.00 O ATOM 130 CB TYR A 794 3.577 -2.457 -24.404 1.00 0.00 C ATOM 131 CG TYR A 794 3.997 -3.023 -25.741 1.00 0.00 C ATOM 132 CD1 TYR A 794 3.635 -4.311 -26.118 1.00 0.00 C ATOM 133 CD2 TYR A 794 4.758 -2.271 -26.628 1.00 0.00 C ATOM 134 CE1 TYR A 794 4.017 -4.832 -27.339 1.00 0.00 C ATOM 135 CE2 TYR A 794 5.144 -2.784 -27.851 1.00 0.00 C ATOM 136 CZ TYR A 794 4.772 -4.065 -28.202 1.00 0.00 C ATOM 137 OH TYR A 794 5.155 -4.580 -29.419 1.00 0.00 O ATOM 0 H TYR A 794 3.119 -0.298 -25.500 1.00 0.00 H new ATOM 0 HA TYR A 794 1.499 -2.487 -24.954 1.00 0.00 H new ATOM 0 HB2 TYR A 794 4.302 -1.705 -24.093 1.00 0.00 H new ATOM 0 HB3 TYR A 794 3.602 -3.252 -23.658 1.00 0.00 H new ATOM 0 HD1 TYR A 794 3.045 -4.915 -25.445 1.00 0.00 H new ATOM 0 HD2 TYR A 794 5.053 -1.268 -26.356 1.00 0.00 H new ATOM 0 HE1 TYR A 794 3.726 -5.834 -27.616 1.00 0.00 H new ATOM 0 HE2 TYR A 794 5.734 -2.185 -28.529 1.00 0.00 H new ATOM 0 HH TYR A 794 5.680 -3.912 -29.906 1.00 0.00 H new ATOM 147 N SER A 795 0.353 -1.700 -22.829 1.00 0.00 N ATOM 148 CA SER A 795 -0.263 -1.554 -21.515 1.00 0.00 C ATOM 149 C SER A 795 -0.687 -2.910 -20.960 1.00 0.00 C ATOM 150 O SER A 795 -1.840 -3.320 -21.103 1.00 0.00 O ATOM 151 CB SER A 795 -1.474 -0.622 -21.597 1.00 0.00 C ATOM 152 OG SER A 795 -1.688 0.046 -20.366 1.00 0.00 O ATOM 0 H SER A 795 -0.310 -1.826 -23.594 1.00 0.00 H new ATOM 0 HA SER A 795 0.476 -1.120 -20.841 1.00 0.00 H new ATOM 0 HB2 SER A 795 -1.320 0.110 -22.390 1.00 0.00 H new ATOM 0 HB3 SER A 795 -2.362 -1.197 -21.862 1.00 0.00 H new ATOM 0 HG SER A 795 -2.466 0.636 -20.445 1.00 0.00 H new ATOM 158 N THR A 796 0.253 -3.603 -20.325 1.00 0.00 N ATOM 159 CA THR A 796 -0.021 -4.913 -19.749 1.00 0.00 C ATOM 160 C THR A 796 -0.311 -4.808 -18.256 1.00 0.00 C ATOM 161 O THR A 796 0.215 -3.930 -17.573 1.00 0.00 O ATOM 162 CB THR A 796 1.159 -5.880 -19.965 1.00 0.00 C ATOM 163 OG1 THR A 796 0.834 -7.173 -19.443 1.00 0.00 O ATOM 164 CG2 THR A 796 2.417 -5.356 -19.289 1.00 0.00 C ATOM 0 H THR A 796 1.211 -3.278 -20.197 1.00 0.00 H new ATOM 0 HA THR A 796 -0.900 -5.305 -20.260 1.00 0.00 H new ATOM 0 HB THR A 796 1.346 -5.958 -21.036 1.00 0.00 H new ATOM 0 HG1 THR A 796 1.588 -7.782 -19.586 1.00 0.00 H new ATOM 0 HG21 THR A 796 3.237 -6.055 -19.455 1.00 0.00 H new ATOM 0 HG22 THR A 796 2.678 -4.384 -19.709 1.00 0.00 H new ATOM 0 HG23 THR A 796 2.239 -5.253 -18.219 1.00 0.00 H new ATOM 172 N SER A 797 -1.151 -5.709 -17.756 1.00 0.00 N ATOM 173 CA SER A 797 -1.513 -5.715 -16.344 1.00 0.00 C ATOM 174 C SER A 797 -0.271 -5.605 -15.464 1.00 0.00 C ATOM 175 O SER A 797 0.634 -6.437 -15.541 1.00 0.00 O ATOM 176 CB SER A 797 -2.285 -6.990 -15.999 1.00 0.00 C ATOM 177 OG SER A 797 -1.571 -8.145 -16.404 1.00 0.00 O ATOM 0 H SER A 797 -1.593 -6.444 -18.308 1.00 0.00 H new ATOM 0 HA SER A 797 -2.149 -4.851 -16.154 1.00 0.00 H new ATOM 0 HB2 SER A 797 -2.467 -7.029 -14.925 1.00 0.00 H new ATOM 0 HB3 SER A 797 -3.260 -6.972 -16.487 1.00 0.00 H new ATOM 0 HG SER A 797 -0.616 -8.018 -16.226 1.00 0.00 H new ATOM 183 N LEU A 798 -0.236 -4.573 -14.629 1.00 0.00 N ATOM 184 CA LEU A 798 0.895 -4.353 -13.733 1.00 0.00 C ATOM 185 C LEU A 798 0.461 -4.453 -12.274 1.00 0.00 C ATOM 186 O LEU A 798 -0.732 -4.471 -11.972 1.00 0.00 O ATOM 187 CB LEU A 798 1.521 -2.983 -13.998 1.00 0.00 C ATOM 188 CG LEU A 798 2.633 -2.945 -15.047 1.00 0.00 C ATOM 189 CD1 LEU A 798 2.947 -1.509 -15.439 1.00 0.00 C ATOM 190 CD2 LEU A 798 3.881 -3.643 -14.528 1.00 0.00 C ATOM 0 H LEU A 798 -0.976 -3.876 -14.553 1.00 0.00 H new ATOM 0 HA LEU A 798 1.637 -5.128 -13.926 1.00 0.00 H new ATOM 0 HB2 LEU A 798 0.731 -2.299 -14.310 1.00 0.00 H new ATOM 0 HB3 LEU A 798 1.921 -2.601 -13.059 1.00 0.00 H new ATOM 0 HG LEU A 798 2.288 -3.476 -15.934 1.00 0.00 H new ATOM 0 HD11 LEU A 798 3.741 -1.501 -16.186 1.00 0.00 H new ATOM 0 HD12 LEU A 798 2.054 -1.041 -15.853 1.00 0.00 H new ATOM 0 HD13 LEU A 798 3.272 -0.954 -14.559 1.00 0.00 H new ATOM 0 HD21 LEU A 798 4.661 -3.606 -15.288 1.00 0.00 H new ATOM 0 HD22 LEU A 798 4.230 -3.141 -13.625 1.00 0.00 H new ATOM 0 HD23 LEU A 798 3.647 -4.683 -14.298 1.00 0.00 H new ATOM 202 N GLU A 799 1.438 -4.516 -11.374 1.00 0.00 N ATOM 203 CA GLU A 799 1.156 -4.613 -9.947 1.00 0.00 C ATOM 204 C GLU A 799 1.837 -3.483 -9.180 1.00 0.00 C ATOM 205 O GLU A 799 2.479 -3.712 -8.155 1.00 0.00 O ATOM 206 CB GLU A 799 1.620 -5.965 -9.403 1.00 0.00 C ATOM 207 CG GLU A 799 0.903 -7.151 -10.028 1.00 0.00 C ATOM 208 CD GLU A 799 0.938 -8.384 -9.147 1.00 0.00 C ATOM 209 OE1 GLU A 799 0.184 -8.425 -8.152 1.00 0.00 O ATOM 210 OE2 GLU A 799 1.720 -9.309 -9.452 1.00 0.00 O ATOM 0 H GLU A 799 2.431 -4.502 -11.608 1.00 0.00 H new ATOM 0 HA GLU A 799 0.078 -4.525 -9.809 1.00 0.00 H new ATOM 0 HB2 GLU A 799 2.692 -6.068 -9.574 1.00 0.00 H new ATOM 0 HB3 GLU A 799 1.466 -5.985 -8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 799 -0.134 -6.880 -10.227 1.00 0.00 H new ATOM 0 HG3 GLU A 799 1.362 -7.383 -10.989 1.00 0.00 H new ATOM 217 N LYS A 800 1.693 -2.262 -9.685 1.00 0.00 N ATOM 218 CA LYS A 800 2.292 -1.095 -9.049 1.00 0.00 C ATOM 219 C LYS A 800 1.228 -0.238 -8.372 1.00 0.00 C ATOM 220 O LYS A 800 1.444 0.289 -7.279 1.00 0.00 O ATOM 221 CB LYS A 800 3.054 -0.261 -10.082 1.00 0.00 C ATOM 222 CG LYS A 800 3.116 1.218 -9.742 1.00 0.00 C ATOM 223 CD LYS A 800 4.248 1.912 -10.480 1.00 0.00 C ATOM 224 CE LYS A 800 4.216 3.417 -10.262 1.00 0.00 C ATOM 225 NZ LYS A 800 3.291 4.096 -11.212 1.00 0.00 N ATOM 0 H LYS A 800 1.166 -2.055 -10.534 1.00 0.00 H new ATOM 0 HA LYS A 800 2.989 -1.445 -8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 800 4.069 -0.648 -10.172 1.00 0.00 H new ATOM 0 HB3 LYS A 800 2.580 -0.382 -11.056 1.00 0.00 H new ATOM 0 HG2 LYS A 800 2.168 1.692 -9.999 1.00 0.00 H new ATOM 0 HG3 LYS A 800 3.252 1.340 -8.667 1.00 0.00 H new ATOM 0 HD2 LYS A 800 5.204 1.514 -10.139 1.00 0.00 H new ATOM 0 HD3 LYS A 800 4.175 1.696 -11.546 1.00 0.00 H new ATOM 0 HE2 LYS A 800 3.906 3.629 -9.239 1.00 0.00 H new ATOM 0 HE3 LYS A 800 5.221 3.823 -10.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 3.298 5.120 -11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 3.601 3.915 -12.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 2.327 3.728 -11.081 1.00 0.00 H new ATOM 239 N HIS A 801 0.079 -0.102 -9.026 1.00 0.00 N ATOM 240 CA HIS A 801 -1.020 0.690 -8.485 1.00 0.00 C ATOM 241 C HIS A 801 -1.207 0.414 -6.996 1.00 0.00 C ATOM 242 O HIS A 801 -1.553 1.311 -6.227 1.00 0.00 O ATOM 243 CB HIS A 801 -2.315 0.386 -9.239 1.00 0.00 C ATOM 244 CG HIS A 801 -2.689 -1.064 -9.227 1.00 0.00 C ATOM 245 ND1 HIS A 801 -1.759 -2.081 -9.179 1.00 0.00 N ATOM 246 CD2 HIS A 801 -3.901 -1.666 -9.254 1.00 0.00 C ATOM 247 CE1 HIS A 801 -2.383 -3.245 -9.179 1.00 0.00 C ATOM 248 NE2 HIS A 801 -3.683 -3.021 -9.224 1.00 0.00 N ATOM 0 H HIS A 801 -0.115 -0.530 -9.931 1.00 0.00 H new ATOM 0 HA HIS A 801 -0.773 1.744 -8.613 1.00 0.00 H new ATOM 0 HB2 HIS A 801 -3.126 0.966 -8.799 1.00 0.00 H new ATOM 0 HB3 HIS A 801 -2.210 0.717 -10.272 1.00 0.00 H new ATOM 0 HD2 HIS A 801 -4.861 -1.172 -9.292 1.00 0.00 H new ATOM 0 HE1 HIS A 801 -1.910 -4.215 -9.148 1.00 0.00 H new ATOM 0 HE2 HIS A 801 -4.408 -3.738 -9.235 1.00 0.00 H new ATOM 256 N LYS A 802 -0.977 -0.832 -6.597 1.00 0.00 N ATOM 257 CA LYS A 802 -1.120 -1.227 -5.201 1.00 0.00 C ATOM 258 C LYS A 802 -0.129 -0.475 -4.318 1.00 0.00 C ATOM 259 O LYS A 802 0.823 0.130 -4.813 1.00 0.00 O ATOM 260 CB LYS A 802 -0.909 -2.735 -5.052 1.00 0.00 C ATOM 261 CG LYS A 802 -2.035 -3.568 -5.641 1.00 0.00 C ATOM 262 CD LYS A 802 -1.639 -5.029 -5.769 1.00 0.00 C ATOM 263 CE LYS A 802 -2.859 -5.936 -5.802 1.00 0.00 C ATOM 264 NZ LYS A 802 -3.651 -5.755 -7.050 1.00 0.00 N ATOM 0 H LYS A 802 -0.691 -1.586 -7.221 1.00 0.00 H new ATOM 0 HA LYS A 802 -2.130 -0.974 -4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 802 0.028 -3.012 -5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 802 -0.805 -2.976 -3.994 1.00 0.00 H new ATOM 0 HG2 LYS A 802 -2.920 -3.484 -5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 802 -2.304 -3.176 -6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 802 -1.055 -5.170 -6.678 1.00 0.00 H new ATOM 0 HD3 LYS A 802 -0.999 -5.308 -4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 802 -2.541 -6.975 -5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 802 -3.490 -5.728 -4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 -4.109 -6.653 -7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 -4.377 -5.027 -6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 -3.020 -5.458 -7.822 1.00 0.00 H new ATOM 278 N LEU A 803 -0.357 -0.517 -3.011 1.00 0.00 N ATOM 279 CA LEU A 803 0.517 0.159 -2.059 1.00 0.00 C ATOM 280 C LEU A 803 0.840 -0.748 -0.876 1.00 0.00 C ATOM 281 O LEU A 803 0.007 -1.549 -0.448 1.00 0.00 O ATOM 282 CB LEU A 803 -0.138 1.449 -1.562 1.00 0.00 C ATOM 283 CG LEU A 803 -0.459 2.494 -2.632 1.00 0.00 C ATOM 284 CD1 LEU A 803 -1.453 3.515 -2.100 1.00 0.00 C ATOM 285 CD2 LEU A 803 0.813 3.181 -3.105 1.00 0.00 C ATOM 0 H LEU A 803 -1.140 -1.012 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 803 1.448 0.404 -2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -1.063 1.188 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 803 0.520 1.905 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 803 -0.912 1.987 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -1.669 4.250 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -2.375 3.010 -1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -1.028 4.018 -1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 803 0.565 3.921 -3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 803 1.295 3.675 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 803 1.492 2.440 -3.527 1.00 0.00 H new ATOM 297 N PHE A 804 2.053 -0.617 -0.349 1.00 0.00 N ATOM 298 CA PHE A 804 2.485 -1.424 0.785 1.00 0.00 C ATOM 299 C PHE A 804 2.894 -0.538 1.959 1.00 0.00 C ATOM 300 O PHE A 804 3.964 0.071 1.948 1.00 0.00 O ATOM 301 CB PHE A 804 3.654 -2.325 0.381 1.00 0.00 C ATOM 302 CG PHE A 804 4.380 -2.926 1.551 1.00 0.00 C ATOM 303 CD1 PHE A 804 3.901 -4.072 2.165 1.00 0.00 C ATOM 304 CD2 PHE A 804 5.540 -2.345 2.037 1.00 0.00 C ATOM 305 CE1 PHE A 804 4.566 -4.629 3.241 1.00 0.00 C ATOM 306 CE2 PHE A 804 6.210 -2.897 3.112 1.00 0.00 C ATOM 307 CZ PHE A 804 5.721 -4.040 3.716 1.00 0.00 C ATOM 0 H PHE A 804 2.754 0.041 -0.690 1.00 0.00 H new ATOM 0 HA PHE A 804 1.646 -2.046 1.097 1.00 0.00 H new ATOM 0 HB2 PHE A 804 3.281 -3.127 -0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 804 4.359 -1.746 -0.216 1.00 0.00 H new ATOM 0 HD1 PHE A 804 2.997 -4.536 1.798 1.00 0.00 H new ATOM 0 HD2 PHE A 804 5.925 -1.450 1.570 1.00 0.00 H new ATOM 0 HE1 PHE A 804 4.183 -5.523 3.710 1.00 0.00 H new ATOM 0 HE2 PHE A 804 7.115 -2.436 3.480 1.00 0.00 H new ATOM 0 HZ PHE A 804 6.241 -4.472 4.558 1.00 0.00 H new ATOM 317 N ILE A 805 2.033 -0.471 2.969 1.00 0.00 N ATOM 318 CA ILE A 805 2.304 0.340 4.150 1.00 0.00 C ATOM 319 C ILE A 805 2.773 -0.525 5.315 1.00 0.00 C ATOM 320 O ILE A 805 2.236 -1.607 5.553 1.00 0.00 O ATOM 321 CB ILE A 805 1.058 1.135 4.584 1.00 0.00 C ATOM 322 CG1 ILE A 805 0.320 1.679 3.359 1.00 0.00 C ATOM 323 CG2 ILE A 805 1.453 2.269 5.518 1.00 0.00 C ATOM 324 CD1 ILE A 805 -0.778 2.661 3.702 1.00 0.00 C ATOM 0 H ILE A 805 1.143 -0.968 2.993 1.00 0.00 H new ATOM 0 HA ILE A 805 3.095 1.039 3.879 1.00 0.00 H new ATOM 0 HB ILE A 805 0.386 0.465 5.121 1.00 0.00 H new ATOM 0 HG12 ILE A 805 1.038 2.165 2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 805 -0.110 0.845 2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 805 0.562 2.822 5.816 1.00 0.00 H new ATOM 0 HG22 ILE A 805 1.939 1.859 6.403 1.00 0.00 H new ATOM 0 HG23 ILE A 805 2.142 2.940 5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 805 -1.258 3.005 2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 805 -1.517 2.173 4.337 1.00 0.00 H new ATOM 0 HD13 ILE A 805 -0.352 3.514 4.230 1.00 0.00 H new ATOM 336 N SER A 806 3.776 -0.040 6.039 1.00 0.00 N ATOM 337 CA SER A 806 4.319 -0.770 7.178 1.00 0.00 C ATOM 338 C SER A 806 4.576 0.170 8.353 1.00 0.00 C ATOM 339 O SER A 806 4.959 1.324 8.167 1.00 0.00 O ATOM 340 CB SER A 806 5.617 -1.479 6.785 1.00 0.00 C ATOM 341 OG SER A 806 5.526 -2.020 5.479 1.00 0.00 O ATOM 0 H SER A 806 4.229 0.856 5.857 1.00 0.00 H new ATOM 0 HA SER A 806 3.585 -1.515 7.484 1.00 0.00 H new ATOM 0 HB2 SER A 806 6.448 -0.776 6.834 1.00 0.00 H new ATOM 0 HB3 SER A 806 5.831 -2.275 7.498 1.00 0.00 H new ATOM 0 HG SER A 806 6.194 -2.729 5.371 1.00 0.00 H new ATOM 347 N GLY A 807 4.360 -0.334 9.564 1.00 0.00 N ATOM 348 CA GLY A 807 4.572 0.472 10.752 1.00 0.00 C ATOM 349 C GLY A 807 3.314 1.191 11.197 1.00 0.00 C ATOM 350 O GLY A 807 3.364 2.355 11.598 1.00 0.00 O ATOM 0 H GLY A 807 4.042 -1.286 9.744 1.00 0.00 H new ATOM 0 HA2 GLY A 807 4.928 -0.166 11.561 1.00 0.00 H new ATOM 0 HA3 GLY A 807 5.355 1.204 10.555 1.00 0.00 H new ATOM 354 N LEU A 808 2.182 0.499 11.125 1.00 0.00 N ATOM 355 CA LEU A 808 0.904 1.080 11.522 1.00 0.00 C ATOM 356 C LEU A 808 0.489 0.588 12.905 1.00 0.00 C ATOM 357 O LEU A 808 0.724 -0.562 13.278 1.00 0.00 O ATOM 358 CB LEU A 808 -0.177 0.730 10.498 1.00 0.00 C ATOM 359 CG LEU A 808 -0.107 1.479 9.166 1.00 0.00 C ATOM 360 CD1 LEU A 808 -0.955 0.778 8.116 1.00 0.00 C ATOM 361 CD2 LEU A 808 -0.556 2.922 9.341 1.00 0.00 C ATOM 0 H LEU A 808 2.123 -0.465 10.796 1.00 0.00 H new ATOM 0 HA LEU A 808 1.021 2.163 11.562 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -0.124 -0.339 10.294 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -1.151 0.920 10.948 1.00 0.00 H new ATOM 0 HG LEU A 808 0.928 1.481 8.826 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -0.894 1.324 7.175 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -0.588 -0.238 7.971 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -1.992 0.745 8.449 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -0.500 3.439 8.383 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -1.584 2.942 9.704 1.00 0.00 H new ATOM 0 HD23 LEU A 808 0.093 3.420 10.061 1.00 0.00 H new ATOM 373 N PRO A 809 -0.146 1.476 13.684 1.00 0.00 N ATOM 374 CA PRO A 809 -0.610 1.154 15.036 1.00 0.00 C ATOM 375 C PRO A 809 -1.780 0.177 15.030 1.00 0.00 C ATOM 376 O PRO A 809 -2.754 0.363 14.300 1.00 0.00 O ATOM 377 CB PRO A 809 -1.049 2.511 15.593 1.00 0.00 C ATOM 378 CG PRO A 809 -1.392 3.321 14.390 1.00 0.00 C ATOM 379 CD PRO A 809 -0.459 2.864 13.303 1.00 0.00 C ATOM 0 HA PRO A 809 0.165 0.666 15.627 1.00 0.00 H new ATOM 0 HB2 PRO A 809 -1.906 2.407 16.258 1.00 0.00 H new ATOM 0 HB3 PRO A 809 -0.252 2.978 16.171 1.00 0.00 H new ATOM 0 HG2 PRO A 809 -2.432 3.169 14.101 1.00 0.00 H new ATOM 0 HG3 PRO A 809 -1.268 4.386 14.588 1.00 0.00 H new ATOM 0 HD2 PRO A 809 -0.930 2.915 12.321 1.00 0.00 H new ATOM 0 HD3 PRO A 809 0.439 3.481 13.258 1.00 0.00 H new ATOM 387 N PHE A 810 -1.679 -0.865 15.849 1.00 0.00 N ATOM 388 CA PHE A 810 -2.729 -1.872 15.937 1.00 0.00 C ATOM 389 C PHE A 810 -4.101 -1.218 16.071 1.00 0.00 C ATOM 390 O PHE A 810 -5.094 -1.718 15.544 1.00 0.00 O ATOM 391 CB PHE A 810 -2.476 -2.800 17.128 1.00 0.00 C ATOM 392 CG PHE A 810 -1.074 -3.335 17.183 1.00 0.00 C ATOM 393 CD1 PHE A 810 -0.576 -4.120 16.155 1.00 0.00 C ATOM 394 CD2 PHE A 810 -0.254 -3.054 18.264 1.00 0.00 C ATOM 395 CE1 PHE A 810 0.714 -4.613 16.203 1.00 0.00 C ATOM 396 CE2 PHE A 810 1.037 -3.545 18.317 1.00 0.00 C ATOM 397 CZ PHE A 810 1.521 -4.326 17.286 1.00 0.00 C ATOM 0 H PHE A 810 -0.881 -1.034 16.461 1.00 0.00 H new ATOM 0 HA PHE A 810 -2.714 -2.458 15.018 1.00 0.00 H new ATOM 0 HB2 PHE A 810 -2.687 -2.259 18.051 1.00 0.00 H new ATOM 0 HB3 PHE A 810 -3.174 -3.636 17.082 1.00 0.00 H new ATOM 0 HD1 PHE A 810 -1.204 -4.349 15.306 1.00 0.00 H new ATOM 0 HD2 PHE A 810 -0.628 -2.445 19.074 1.00 0.00 H new ATOM 0 HE1 PHE A 810 1.091 -5.222 15.394 1.00 0.00 H new ATOM 0 HE2 PHE A 810 1.667 -3.318 19.164 1.00 0.00 H new ATOM 0 HZ PHE A 810 2.529 -4.712 17.327 1.00 0.00 H new ATOM 407 N SER A 811 -4.148 -0.095 16.782 1.00 0.00 N ATOM 408 CA SER A 811 -5.397 0.627 16.989 1.00 0.00 C ATOM 409 C SER A 811 -6.071 0.941 15.657 1.00 0.00 C ATOM 410 O SER A 811 -7.256 0.662 15.467 1.00 0.00 O ATOM 411 CB SER A 811 -5.140 1.922 17.762 1.00 0.00 C ATOM 412 OG SER A 811 -4.858 1.656 19.125 1.00 0.00 O ATOM 0 H SER A 811 -3.335 0.334 17.224 1.00 0.00 H new ATOM 0 HA SER A 811 -6.063 -0.009 17.572 1.00 0.00 H new ATOM 0 HB2 SER A 811 -4.304 2.458 17.312 1.00 0.00 H new ATOM 0 HB3 SER A 811 -6.012 2.572 17.688 1.00 0.00 H new ATOM 0 HG SER A 811 -4.696 2.500 19.596 1.00 0.00 H new ATOM 418 N CYS A 812 -5.309 1.523 14.738 1.00 0.00 N ATOM 419 CA CYS A 812 -5.831 1.876 13.423 1.00 0.00 C ATOM 420 C CYS A 812 -6.632 0.723 12.828 1.00 0.00 C ATOM 421 O CYS A 812 -6.377 -0.445 13.127 1.00 0.00 O ATOM 422 CB CYS A 812 -4.687 2.257 12.483 1.00 0.00 C ATOM 423 SG CYS A 812 -5.229 2.950 10.903 1.00 0.00 S ATOM 0 H CYS A 812 -4.327 1.761 14.879 1.00 0.00 H new ATOM 0 HA CYS A 812 -6.495 2.732 13.541 1.00 0.00 H new ATOM 0 HB2 CYS A 812 -4.045 2.982 12.984 1.00 0.00 H new ATOM 0 HB3 CYS A 812 -4.080 1.373 12.290 1.00 0.00 H new ATOM 0 HG CYS A 812 -4.190 3.243 10.178 1.00 0.00 H new ATOM 429 N THR A 813 -7.603 1.057 11.984 1.00 0.00 N ATOM 430 CA THR A 813 -8.444 0.049 11.349 1.00 0.00 C ATOM 431 C THR A 813 -8.683 0.379 9.881 1.00 0.00 C ATOM 432 O THR A 813 -8.567 1.533 9.465 1.00 0.00 O ATOM 433 CB THR A 813 -9.803 -0.079 12.063 1.00 0.00 C ATOM 434 OG1 THR A 813 -10.577 -1.121 11.459 1.00 0.00 O ATOM 435 CG2 THR A 813 -10.573 1.232 12.001 1.00 0.00 C ATOM 0 H THR A 813 -7.827 2.018 11.724 1.00 0.00 H new ATOM 0 HA THR A 813 -7.912 -0.900 11.423 1.00 0.00 H new ATOM 0 HB THR A 813 -9.617 -0.324 13.109 1.00 0.00 H new ATOM 0 HG1 THR A 813 -11.439 -1.197 11.920 1.00 0.00 H new ATOM 0 HG21 THR A 813 -11.529 1.117 12.512 1.00 0.00 H new ATOM 0 HG22 THR A 813 -9.994 2.017 12.487 1.00 0.00 H new ATOM 0 HG23 THR A 813 -10.748 1.502 10.960 1.00 0.00 H new ATOM 443 N LYS A 814 -9.018 -0.640 9.097 1.00 0.00 N ATOM 444 CA LYS A 814 -9.276 -0.459 7.673 1.00 0.00 C ATOM 445 C LYS A 814 -9.969 0.875 7.411 1.00 0.00 C ATOM 446 O LYS A 814 -9.409 1.758 6.763 1.00 0.00 O ATOM 447 CB LYS A 814 -10.137 -1.606 7.140 1.00 0.00 C ATOM 448 CG LYS A 814 -9.898 -1.914 5.672 1.00 0.00 C ATOM 449 CD LYS A 814 -11.084 -2.636 5.054 1.00 0.00 C ATOM 450 CE LYS A 814 -10.987 -4.141 5.256 1.00 0.00 C ATOM 451 NZ LYS A 814 -11.428 -4.546 6.619 1.00 0.00 N ATOM 0 H LYS A 814 -9.117 -1.601 9.424 1.00 0.00 H new ATOM 0 HA LYS A 814 -8.318 -0.460 7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 814 -9.938 -2.502 7.728 1.00 0.00 H new ATOM 0 HB3 LYS A 814 -11.188 -1.357 7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 814 -9.713 -0.987 5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 814 -9.003 -2.528 5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 814 -12.008 -2.267 5.499 1.00 0.00 H new ATOM 0 HD3 LYS A 814 -11.132 -2.413 3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 814 -11.599 -4.648 4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 814 -9.958 -4.464 5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 -11.800 -5.517 6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 -10.620 -4.505 7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 -12.173 -3.900 6.949 1.00 0.00 H new ATOM 465 N GLU A 815 -11.189 1.012 7.920 1.00 0.00 N ATOM 466 CA GLU A 815 -11.957 2.239 7.741 1.00 0.00 C ATOM 467 C GLU A 815 -11.045 3.462 7.779 1.00 0.00 C ATOM 468 O GLU A 815 -10.844 4.130 6.765 1.00 0.00 O ATOM 469 CB GLU A 815 -13.032 2.357 8.823 1.00 0.00 C ATOM 470 CG GLU A 815 -14.153 1.341 8.681 1.00 0.00 C ATOM 471 CD GLU A 815 -15.006 1.581 7.450 1.00 0.00 C ATOM 472 OE1 GLU A 815 -15.067 2.740 6.989 1.00 0.00 O ATOM 473 OE2 GLU A 815 -15.612 0.611 6.949 1.00 0.00 O ATOM 0 H GLU A 815 -11.667 0.290 8.459 1.00 0.00 H new ATOM 0 HA GLU A 815 -12.439 2.196 6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -12.566 2.237 9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -13.457 3.360 8.793 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -13.726 0.339 8.633 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -14.785 1.376 9.569 1.00 0.00 H new ATOM 480 N GLU A 816 -10.498 3.749 8.956 1.00 0.00 N ATOM 481 CA GLU A 816 -9.609 4.892 9.127 1.00 0.00 C ATOM 482 C GLU A 816 -8.720 5.077 7.901 1.00 0.00 C ATOM 483 O GLU A 816 -8.783 6.103 7.223 1.00 0.00 O ATOM 484 CB GLU A 816 -8.744 4.711 10.376 1.00 0.00 C ATOM 485 CG GLU A 816 -9.450 5.092 11.666 1.00 0.00 C ATOM 486 CD GLU A 816 -8.484 5.477 12.769 1.00 0.00 C ATOM 487 OE1 GLU A 816 -7.471 6.142 12.464 1.00 0.00 O ATOM 488 OE2 GLU A 816 -8.739 5.115 13.936 1.00 0.00 O ATOM 0 H GLU A 816 -10.655 3.206 9.805 1.00 0.00 H new ATOM 0 HA GLU A 816 -10.224 5.784 9.246 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -8.426 3.670 10.440 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -7.842 5.314 10.274 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -10.126 5.925 11.473 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -10.063 4.255 12.001 1.00 0.00 H new ATOM 495 N LEU A 817 -7.890 4.077 7.623 1.00 0.00 N ATOM 496 CA LEU A 817 -6.987 4.128 6.479 1.00 0.00 C ATOM 497 C LEU A 817 -7.761 4.346 5.182 1.00 0.00 C ATOM 498 O LEU A 817 -7.258 4.964 4.245 1.00 0.00 O ATOM 499 CB LEU A 817 -6.172 2.837 6.389 1.00 0.00 C ATOM 500 CG LEU A 817 -4.808 2.949 5.706 1.00 0.00 C ATOM 501 CD1 LEU A 817 -3.894 3.877 6.491 1.00 0.00 C ATOM 502 CD2 LEU A 817 -4.173 1.575 5.554 1.00 0.00 C ATOM 0 H LEU A 817 -7.824 3.221 8.174 1.00 0.00 H new ATOM 0 HA LEU A 817 -6.309 4.969 6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 817 -6.020 2.456 7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 817 -6.764 2.094 5.854 1.00 0.00 H new ATOM 0 HG LEU A 817 -4.954 3.371 4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 817 -2.928 3.945 5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 817 -4.344 4.868 6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 817 -3.754 3.484 7.498 1.00 0.00 H new ATOM 0 HD21 LEU A 817 -3.203 1.674 5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 817 -4.040 1.125 6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 817 -4.820 0.940 4.949 1.00 0.00 H new ATOM 514 N GLU A 818 -8.987 3.835 5.139 1.00 0.00 N ATOM 515 CA GLU A 818 -9.830 3.975 3.957 1.00 0.00 C ATOM 516 C GLU A 818 -10.162 5.441 3.696 1.00 0.00 C ATOM 517 O GLU A 818 -9.874 5.971 2.623 1.00 0.00 O ATOM 518 CB GLU A 818 -11.122 3.171 4.127 1.00 0.00 C ATOM 519 CG GLU A 818 -11.816 2.851 2.814 1.00 0.00 C ATOM 520 CD GLU A 818 -12.806 1.709 2.942 1.00 0.00 C ATOM 521 OE1 GLU A 818 -12.469 0.703 3.601 1.00 0.00 O ATOM 522 OE2 GLU A 818 -13.917 1.821 2.382 1.00 0.00 O ATOM 0 H GLU A 818 -9.418 3.321 5.907 1.00 0.00 H new ATOM 0 HA GLU A 818 -9.278 3.587 3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 818 -10.895 2.239 4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 818 -11.807 3.731 4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 818 -12.336 3.740 2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 818 -11.067 2.596 2.064 1.00 0.00 H new ATOM 529 N GLU A 819 -10.769 6.090 4.685 1.00 0.00 N ATOM 530 CA GLU A 819 -11.140 7.495 4.561 1.00 0.00 C ATOM 531 C GLU A 819 -9.930 8.347 4.191 1.00 0.00 C ATOM 532 O GLU A 819 -10.035 9.281 3.395 1.00 0.00 O ATOM 533 CB GLU A 819 -11.752 8.000 5.869 1.00 0.00 C ATOM 534 CG GLU A 819 -10.883 7.742 7.088 1.00 0.00 C ATOM 535 CD GLU A 819 -11.311 8.557 8.293 1.00 0.00 C ATOM 536 OE1 GLU A 819 -12.047 9.549 8.107 1.00 0.00 O ATOM 537 OE2 GLU A 819 -10.909 8.205 9.422 1.00 0.00 O ATOM 0 H GLU A 819 -11.014 5.666 5.580 1.00 0.00 H new ATOM 0 HA GLU A 819 -11.879 7.580 3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 819 -11.936 9.071 5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 819 -12.720 7.521 6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 819 -10.921 6.682 7.339 1.00 0.00 H new ATOM 0 HG3 GLU A 819 -9.846 7.975 6.846 1.00 0.00 H new ATOM 544 N ILE A 820 -8.782 8.019 4.774 1.00 0.00 N ATOM 545 CA ILE A 820 -7.552 8.753 4.505 1.00 0.00 C ATOM 546 C ILE A 820 -7.051 8.487 3.090 1.00 0.00 C ATOM 547 O ILE A 820 -6.666 9.411 2.372 1.00 0.00 O ATOM 548 CB ILE A 820 -6.444 8.382 5.508 1.00 0.00 C ATOM 549 CG1 ILE A 820 -6.852 8.788 6.926 1.00 0.00 C ATOM 550 CG2 ILE A 820 -5.132 9.047 5.118 1.00 0.00 C ATOM 551 CD1 ILE A 820 -5.898 8.299 7.993 1.00 0.00 C ATOM 0 H ILE A 820 -8.678 7.250 5.436 1.00 0.00 H new ATOM 0 HA ILE A 820 -7.787 9.812 4.611 1.00 0.00 H new ATOM 0 HB ILE A 820 -6.302 7.302 5.486 1.00 0.00 H new ATOM 0 HG12 ILE A 820 -6.918 9.875 6.979 1.00 0.00 H new ATOM 0 HG13 ILE A 820 -7.848 8.398 7.134 1.00 0.00 H new ATOM 0 HG21 ILE A 820 -4.359 8.775 5.836 1.00 0.00 H new ATOM 0 HG22 ILE A 820 -4.837 8.713 4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 820 -5.260 10.129 5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 820 -6.250 8.624 8.972 1.00 0.00 H new ATOM 0 HD12 ILE A 820 -5.850 7.210 7.967 1.00 0.00 H new ATOM 0 HD13 ILE A 820 -4.905 8.710 7.810 1.00 0.00 H new ATOM 563 N CYS A 821 -7.060 7.219 2.694 1.00 0.00 N ATOM 564 CA CYS A 821 -6.607 6.830 1.363 1.00 0.00 C ATOM 565 C CYS A 821 -7.471 7.476 0.284 1.00 0.00 C ATOM 566 O CYS A 821 -6.965 8.157 -0.607 1.00 0.00 O ATOM 567 CB CYS A 821 -6.638 5.308 1.215 1.00 0.00 C ATOM 568 SG CYS A 821 -5.398 4.445 2.208 1.00 0.00 S ATOM 0 H CYS A 821 -7.376 6.443 3.275 1.00 0.00 H new ATOM 0 HA CYS A 821 -5.582 7.179 1.239 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -7.628 4.947 1.494 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -6.490 5.053 0.166 1.00 0.00 H new ATOM 0 HG CYS A 821 -5.788 4.402 3.447 1.00 0.00 H new ATOM 574 N LYS A 822 -8.779 7.255 0.371 1.00 0.00 N ATOM 575 CA LYS A 822 -9.715 7.814 -0.597 1.00 0.00 C ATOM 576 C LYS A 822 -9.534 9.324 -0.719 1.00 0.00 C ATOM 577 O LYS A 822 -9.997 9.938 -1.680 1.00 0.00 O ATOM 578 CB LYS A 822 -11.155 7.494 -0.189 1.00 0.00 C ATOM 579 CG LYS A 822 -11.654 8.324 0.981 1.00 0.00 C ATOM 580 CD LYS A 822 -13.172 8.320 1.060 1.00 0.00 C ATOM 581 CE LYS A 822 -13.663 8.904 2.376 1.00 0.00 C ATOM 582 NZ LYS A 822 -15.013 9.518 2.240 1.00 0.00 N ATOM 0 H LYS A 822 -9.214 6.693 1.102 1.00 0.00 H new ATOM 0 HA LYS A 822 -9.509 7.361 -1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 822 -11.811 7.656 -1.044 1.00 0.00 H new ATOM 0 HB3 LYS A 822 -11.224 6.437 0.070 1.00 0.00 H new ATOM 0 HG2 LYS A 822 -11.239 7.932 1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 822 -11.297 9.349 0.880 1.00 0.00 H new ATOM 0 HD2 LYS A 822 -13.582 8.895 0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 822 -13.540 7.300 0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 822 -13.695 8.120 3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 822 -12.956 9.656 2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 822 -15.313 9.905 3.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 822 -14.977 10.283 1.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 822 -15.694 8.795 1.930 1.00 0.00 H new ATOM 596 N ALA A 823 -8.858 9.916 0.259 1.00 0.00 N ATOM 597 CA ALA A 823 -8.613 11.353 0.259 1.00 0.00 C ATOM 598 C ALA A 823 -7.697 11.753 -0.892 1.00 0.00 C ATOM 599 O ALA A 823 -7.966 12.720 -1.606 1.00 0.00 O ATOM 600 CB ALA A 823 -8.014 11.786 1.588 1.00 0.00 C ATOM 0 H ALA A 823 -8.470 9.422 1.063 1.00 0.00 H new ATOM 0 HA ALA A 823 -9.568 11.860 0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 823 -7.836 12.861 1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 823 -8.705 11.543 2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 823 -7.071 11.264 1.749 1.00 0.00 H new ATOM 606 N HIS A 824 -6.613 11.004 -1.068 1.00 0.00 N ATOM 607 CA HIS A 824 -5.656 11.282 -2.134 1.00 0.00 C ATOM 608 C HIS A 824 -6.288 11.055 -3.504 1.00 0.00 C ATOM 609 O HIS A 824 -6.255 11.932 -4.366 1.00 0.00 O ATOM 610 CB HIS A 824 -4.417 10.399 -1.978 1.00 0.00 C ATOM 611 CG HIS A 824 -3.821 10.440 -0.605 1.00 0.00 C ATOM 612 ND1 HIS A 824 -3.123 11.526 -0.120 1.00 0.00 N ATOM 613 CD2 HIS A 824 -3.822 9.521 0.388 1.00 0.00 C ATOM 614 CE1 HIS A 824 -2.720 11.273 1.112 1.00 0.00 C ATOM 615 NE2 HIS A 824 -3.131 10.063 1.445 1.00 0.00 N ATOM 0 H HIS A 824 -6.375 10.200 -0.487 1.00 0.00 H new ATOM 0 HA HIS A 824 -5.359 12.328 -2.059 1.00 0.00 H new ATOM 0 HB2 HIS A 824 -4.682 9.370 -2.219 1.00 0.00 H new ATOM 0 HB3 HIS A 824 -3.664 10.712 -2.701 1.00 0.00 H new ATOM 0 HD1 HIS A 824 -2.946 12.390 -0.633 1.00 0.00 H new ATOM 0 HD2 HIS A 824 -4.280 8.544 0.356 1.00 0.00 H new ATOM 0 HE1 HIS A 824 -2.151 11.942 1.740 1.00 0.00 H new ATOM 623 N GLY A 825 -6.864 9.872 -3.697 1.00 0.00 N ATOM 624 CA GLY A 825 -7.494 9.552 -4.964 1.00 0.00 C ATOM 625 C GLY A 825 -8.761 8.738 -4.792 1.00 0.00 C ATOM 626 O GLY A 825 -9.666 9.131 -4.055 1.00 0.00 O ATOM 0 H GLY A 825 -6.905 9.130 -2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 825 -7.728 10.476 -5.493 1.00 0.00 H new ATOM 0 HA3 GLY A 825 -6.791 8.998 -5.586 1.00 0.00 H new ATOM 630 N THR A 826 -8.829 7.600 -5.475 1.00 0.00 N ATOM 631 CA THR A 826 -9.996 6.730 -5.397 1.00 0.00 C ATOM 632 C THR A 826 -9.604 5.324 -4.957 1.00 0.00 C ATOM 633 O THR A 826 -8.898 4.613 -5.672 1.00 0.00 O ATOM 634 CB THR A 826 -10.727 6.647 -6.750 1.00 0.00 C ATOM 635 OG1 THR A 826 -11.124 7.957 -7.173 1.00 0.00 O ATOM 636 CG2 THR A 826 -11.950 5.748 -6.651 1.00 0.00 C ATOM 0 H THR A 826 -8.089 7.259 -6.089 1.00 0.00 H new ATOM 0 HA THR A 826 -10.667 7.166 -4.657 1.00 0.00 H new ATOM 0 HB THR A 826 -10.042 6.221 -7.483 1.00 0.00 H new ATOM 0 HG1 THR A 826 -11.587 7.896 -8.035 1.00 0.00 H new ATOM 0 HG21 THR A 826 -12.449 5.705 -7.619 1.00 0.00 H new ATOM 0 HG22 THR A 826 -11.641 4.745 -6.357 1.00 0.00 H new ATOM 0 HG23 THR A 826 -12.637 6.149 -5.906 1.00 0.00 H new ATOM 644 N VAL A 827 -10.068 4.927 -3.776 1.00 0.00 N ATOM 645 CA VAL A 827 -9.768 3.604 -3.242 1.00 0.00 C ATOM 646 C VAL A 827 -10.634 2.536 -3.901 1.00 0.00 C ATOM 647 O VAL A 827 -11.862 2.581 -3.823 1.00 0.00 O ATOM 648 CB VAL A 827 -9.980 3.553 -1.717 1.00 0.00 C ATOM 649 CG1 VAL A 827 -9.735 2.147 -1.191 1.00 0.00 C ATOM 650 CG2 VAL A 827 -9.076 4.558 -1.020 1.00 0.00 C ATOM 0 H VAL A 827 -10.653 5.503 -3.171 1.00 0.00 H new ATOM 0 HA VAL A 827 -8.719 3.404 -3.462 1.00 0.00 H new ATOM 0 HB VAL A 827 -11.015 3.820 -1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 827 -9.889 2.130 -0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 827 -10.428 1.454 -1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 827 -8.711 1.848 -1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 827 -9.239 4.508 0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 827 -8.034 4.325 -1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 827 -9.306 5.562 -1.376 1.00 0.00 H new ATOM 660 N LYS A 828 -9.986 1.575 -4.550 1.00 0.00 N ATOM 661 CA LYS A 828 -10.695 0.492 -5.222 1.00 0.00 C ATOM 662 C LYS A 828 -10.805 -0.731 -4.317 1.00 0.00 C ATOM 663 O LYS A 828 -11.828 -1.415 -4.303 1.00 0.00 O ATOM 664 CB LYS A 828 -9.980 0.115 -6.521 1.00 0.00 C ATOM 665 CG LYS A 828 -9.969 1.229 -7.554 1.00 0.00 C ATOM 666 CD LYS A 828 -11.203 1.181 -8.439 1.00 0.00 C ATOM 667 CE LYS A 828 -12.396 1.843 -7.767 1.00 0.00 C ATOM 668 NZ LYS A 828 -13.337 2.430 -8.761 1.00 0.00 N ATOM 0 H LYS A 828 -8.970 1.524 -4.625 1.00 0.00 H new ATOM 0 HA LYS A 828 -11.701 0.841 -5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 828 -8.952 -0.167 -6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 828 -10.463 -0.763 -6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 828 -9.919 2.194 -7.049 1.00 0.00 H new ATOM 0 HG3 LYS A 828 -9.074 1.146 -8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 828 -10.993 1.680 -9.385 1.00 0.00 H new ATOM 0 HD3 LYS A 828 -11.445 0.144 -8.673 1.00 0.00 H new ATOM 0 HE2 LYS A 828 -12.923 1.109 -7.157 1.00 0.00 H new ATOM 0 HE3 LYS A 828 -12.046 2.625 -7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 -14.136 2.872 -8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 -12.841 3.149 -9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 -13.691 1.680 -9.388 1.00 0.00 H new ATOM 682 N ASP A 829 -9.745 -0.999 -3.562 1.00 0.00 N ATOM 683 CA ASP A 829 -9.724 -2.138 -2.651 1.00 0.00 C ATOM 684 C ASP A 829 -8.699 -1.927 -1.541 1.00 0.00 C ATOM 685 O ASP A 829 -7.643 -1.332 -1.761 1.00 0.00 O ATOM 686 CB ASP A 829 -9.407 -3.424 -3.417 1.00 0.00 C ATOM 687 CG ASP A 829 -9.995 -4.653 -2.752 1.00 0.00 C ATOM 688 OD1 ASP A 829 -9.354 -5.188 -1.823 1.00 0.00 O ATOM 689 OD2 ASP A 829 -11.095 -5.081 -3.161 1.00 0.00 O ATOM 0 H ASP A 829 -8.890 -0.443 -3.563 1.00 0.00 H new ATOM 0 HA ASP A 829 -10.711 -2.228 -2.197 1.00 0.00 H new ATOM 0 HB2 ASP A 829 -9.794 -3.343 -4.433 1.00 0.00 H new ATOM 0 HB3 ASP A 829 -8.326 -3.539 -3.496 1.00 0.00 H new ATOM 694 N LEU A 830 -9.017 -2.418 -0.348 1.00 0.00 N ATOM 695 CA LEU A 830 -8.125 -2.283 0.798 1.00 0.00 C ATOM 696 C LEU A 830 -8.101 -3.565 1.624 1.00 0.00 C ATOM 697 O LEU A 830 -9.148 -4.086 2.009 1.00 0.00 O ATOM 698 CB LEU A 830 -8.562 -1.107 1.673 1.00 0.00 C ATOM 699 CG LEU A 830 -7.449 -0.395 2.444 1.00 0.00 C ATOM 700 CD1 LEU A 830 -7.904 0.990 2.880 1.00 0.00 C ATOM 701 CD2 LEU A 830 -7.022 -1.221 3.648 1.00 0.00 C ATOM 0 H LEU A 830 -9.886 -2.913 -0.149 1.00 0.00 H new ATOM 0 HA LEU A 830 -7.119 -2.096 0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 830 -9.064 -0.375 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 830 -9.300 -1.468 2.390 1.00 0.00 H new ATOM 0 HG LEU A 830 -6.590 -0.282 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 830 -7.100 1.482 3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 830 -8.160 1.582 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 830 -8.779 0.900 3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 830 -6.230 -0.699 4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 830 -7.875 -1.366 4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 830 -6.655 -2.191 3.312 1.00 0.00 H new ATOM 713 N ARG A 831 -6.901 -4.067 1.894 1.00 0.00 N ATOM 714 CA ARG A 831 -6.741 -5.287 2.675 1.00 0.00 C ATOM 715 C ARG A 831 -5.705 -5.094 3.779 1.00 0.00 C ATOM 716 O ARG A 831 -4.798 -4.269 3.657 1.00 0.00 O ATOM 717 CB ARG A 831 -6.326 -6.448 1.769 1.00 0.00 C ATOM 718 CG ARG A 831 -4.942 -6.283 1.164 1.00 0.00 C ATOM 719 CD ARG A 831 -4.784 -7.113 -0.101 1.00 0.00 C ATOM 720 NE ARG A 831 -5.711 -6.694 -1.149 1.00 0.00 N ATOM 721 CZ ARG A 831 -5.812 -7.302 -2.326 1.00 0.00 C ATOM 722 NH1 ARG A 831 -5.048 -8.350 -2.603 1.00 0.00 N ATOM 723 NH2 ARG A 831 -6.679 -6.862 -3.229 1.00 0.00 N ATOM 0 H ARG A 831 -6.025 -3.647 1.583 1.00 0.00 H new ATOM 0 HA ARG A 831 -7.700 -5.521 3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 831 -6.354 -7.374 2.343 1.00 0.00 H new ATOM 0 HB3 ARG A 831 -7.055 -6.549 0.965 1.00 0.00 H new ATOM 0 HG2 ARG A 831 -4.767 -5.232 0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 831 -4.188 -6.581 1.892 1.00 0.00 H new ATOM 0 HD2 ARG A 831 -3.761 -7.026 -0.466 1.00 0.00 H new ATOM 0 HD3 ARG A 831 -4.951 -8.165 0.132 1.00 0.00 H new ATOM 0 HE ARG A 831 -6.313 -5.891 -0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 831 -4.380 -8.691 -1.912 1.00 0.00 H new ATOM 0 HH12 ARG A 831 -5.128 -8.815 -3.508 1.00 0.00 H new ATOM 0 HH21 ARG A 831 -7.269 -6.056 -3.020 1.00 0.00 H new ATOM 0 HH22 ARG A 831 -6.756 -7.329 -4.132 1.00 0.00 H new ATOM 737 N LEU A 832 -5.846 -5.859 4.856 1.00 0.00 N ATOM 738 CA LEU A 832 -4.923 -5.772 5.982 1.00 0.00 C ATOM 739 C LEU A 832 -4.194 -7.096 6.192 1.00 0.00 C ATOM 740 O LEU A 832 -4.821 -8.140 6.374 1.00 0.00 O ATOM 741 CB LEU A 832 -5.676 -5.385 7.256 1.00 0.00 C ATOM 742 CG LEU A 832 -6.600 -4.172 7.146 1.00 0.00 C ATOM 743 CD1 LEU A 832 -7.254 -3.875 8.486 1.00 0.00 C ATOM 744 CD2 LEU A 832 -5.831 -2.958 6.646 1.00 0.00 C ATOM 0 H LEU A 832 -6.590 -6.546 4.973 1.00 0.00 H new ATOM 0 HA LEU A 832 -4.185 -5.003 5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 832 -6.269 -6.241 7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 832 -4.945 -5.190 8.041 1.00 0.00 H new ATOM 0 HG LEU A 832 -7.384 -4.403 6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 832 -7.908 -3.008 8.388 1.00 0.00 H new ATOM 0 HD12 LEU A 832 -7.840 -4.737 8.804 1.00 0.00 H new ATOM 0 HD13 LEU A 832 -6.484 -3.666 9.228 1.00 0.00 H new ATOM 0 HD21 LEU A 832 -6.505 -2.105 6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 832 -5.025 -2.726 7.342 1.00 0.00 H new ATOM 0 HD23 LEU A 832 -5.411 -3.173 5.663 1.00 0.00 H new ATOM 756 N VAL A 833 -2.866 -7.045 6.167 1.00 0.00 N ATOM 757 CA VAL A 833 -2.051 -8.239 6.358 1.00 0.00 C ATOM 758 C VAL A 833 -2.111 -8.720 7.803 1.00 0.00 C ATOM 759 O VAL A 833 -1.312 -8.304 8.642 1.00 0.00 O ATOM 760 CB VAL A 833 -0.582 -7.982 5.974 1.00 0.00 C ATOM 761 CG1 VAL A 833 0.165 -9.297 5.811 1.00 0.00 C ATOM 762 CG2 VAL A 833 -0.500 -7.152 4.702 1.00 0.00 C ATOM 0 H VAL A 833 -2.332 -6.189 6.016 1.00 0.00 H new ATOM 0 HA VAL A 833 -2.460 -9.010 5.705 1.00 0.00 H new ATOM 0 HB VAL A 833 -0.108 -7.419 6.778 1.00 0.00 H new ATOM 0 HG11 VAL A 833 1.201 -9.096 5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 833 0.137 -9.850 6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 833 -0.307 -9.889 5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 833 0.546 -6.980 4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -0.990 -7.685 3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -0.997 -6.195 4.860 1.00 0.00 H new ATOM 772 N THR A 834 -3.065 -9.601 8.088 1.00 0.00 N ATOM 773 CA THR A 834 -3.231 -10.139 9.432 1.00 0.00 C ATOM 774 C THR A 834 -2.484 -11.458 9.592 1.00 0.00 C ATOM 775 O THR A 834 -1.944 -11.998 8.627 1.00 0.00 O ATOM 776 CB THR A 834 -4.718 -10.361 9.769 1.00 0.00 C ATOM 777 OG1 THR A 834 -5.266 -11.377 8.923 1.00 0.00 O ATOM 778 CG2 THR A 834 -5.509 -9.072 9.600 1.00 0.00 C ATOM 0 H THR A 834 -3.734 -9.957 7.406 1.00 0.00 H new ATOM 0 HA THR A 834 -2.816 -9.403 10.120 1.00 0.00 H new ATOM 0 HB THR A 834 -4.788 -10.679 10.809 1.00 0.00 H new ATOM 0 HG1 THR A 834 -6.243 -11.299 8.908 1.00 0.00 H new ATOM 0 HG21 THR A 834 -6.556 -9.253 9.843 1.00 0.00 H new ATOM 0 HG22 THR A 834 -5.108 -8.309 10.267 1.00 0.00 H new ATOM 0 HG23 THR A 834 -5.430 -8.729 8.568 1.00 0.00 H new ATOM 786 N ASN A 835 -2.457 -11.973 10.817 1.00 0.00 N ATOM 787 CA ASN A 835 -1.775 -13.230 11.103 1.00 0.00 C ATOM 788 C ASN A 835 -2.747 -14.404 11.032 1.00 0.00 C ATOM 789 O ASN A 835 -3.955 -14.216 10.886 1.00 0.00 O ATOM 790 CB ASN A 835 -1.122 -13.177 12.486 1.00 0.00 C ATOM 791 CG ASN A 835 0.124 -14.037 12.570 1.00 0.00 C ATOM 792 OD1 ASN A 835 0.062 -15.256 12.415 1.00 0.00 O ATOM 793 ND2 ASN A 835 1.265 -13.402 12.816 1.00 0.00 N ATOM 0 H ASN A 835 -2.899 -11.539 11.627 1.00 0.00 H new ATOM 0 HA ASN A 835 -1.002 -13.375 10.349 1.00 0.00 H new ATOM 0 HB2 ASN A 835 -0.865 -12.145 12.724 1.00 0.00 H new ATOM 0 HB3 ASN A 835 -1.840 -13.508 13.237 1.00 0.00 H new ATOM 0 HD21 ASN A 835 2.137 -13.927 12.883 1.00 0.00 H new ATOM 0 HD22 ASN A 835 1.269 -12.389 12.938 1.00 0.00 H new ATOM 800 N ARG A 836 -2.211 -15.616 11.137 1.00 0.00 N ATOM 801 CA ARG A 836 -3.030 -16.821 11.084 1.00 0.00 C ATOM 802 C ARG A 836 -4.348 -16.615 11.824 1.00 0.00 C ATOM 803 O ARG A 836 -5.415 -16.968 11.322 1.00 0.00 O ATOM 804 CB ARG A 836 -2.273 -18.005 11.689 1.00 0.00 C ATOM 805 CG ARG A 836 -2.703 -19.352 11.131 1.00 0.00 C ATOM 806 CD ARG A 836 -1.606 -20.393 11.281 1.00 0.00 C ATOM 807 NE ARG A 836 -1.225 -20.590 12.678 1.00 0.00 N ATOM 808 CZ ARG A 836 -0.309 -21.466 13.073 1.00 0.00 C ATOM 809 NH1 ARG A 836 0.318 -22.223 12.183 1.00 0.00 N ATOM 810 NH2 ARG A 836 -0.017 -21.587 14.362 1.00 0.00 N ATOM 0 H ARG A 836 -1.213 -15.789 11.259 1.00 0.00 H new ATOM 0 HA ARG A 836 -3.250 -17.035 10.038 1.00 0.00 H new ATOM 0 HB2 ARG A 836 -1.206 -17.872 11.512 1.00 0.00 H new ATOM 0 HB3 ARG A 836 -2.419 -18.005 12.769 1.00 0.00 H new ATOM 0 HG2 ARG A 836 -3.601 -19.691 11.648 1.00 0.00 H new ATOM 0 HG3 ARG A 836 -2.963 -19.245 10.078 1.00 0.00 H new ATOM 0 HD2 ARG A 836 -1.945 -21.340 10.861 1.00 0.00 H new ATOM 0 HD3 ARG A 836 -0.732 -20.084 10.707 1.00 0.00 H new ATOM 0 HE ARG A 836 -1.688 -20.023 13.389 1.00 0.00 H new ATOM 0 HH11 ARG A 836 0.097 -22.133 11.191 1.00 0.00 H new ATOM 0 HH12 ARG A 836 1.021 -22.895 12.490 1.00 0.00 H new ATOM 0 HH21 ARG A 836 -0.497 -21.007 15.050 1.00 0.00 H new ATOM 0 HH22 ARG A 836 0.687 -22.260 14.664 1.00 0.00 H new ATOM 824 N ALA A 837 -4.266 -16.042 13.021 1.00 0.00 N ATOM 825 CA ALA A 837 -5.452 -15.788 13.829 1.00 0.00 C ATOM 826 C ALA A 837 -6.023 -14.403 13.546 1.00 0.00 C ATOM 827 O ALA A 837 -6.503 -13.722 14.451 1.00 0.00 O ATOM 828 CB ALA A 837 -5.124 -15.934 15.308 1.00 0.00 C ATOM 0 H ALA A 837 -3.390 -15.745 13.452 1.00 0.00 H new ATOM 0 HA ALA A 837 -6.209 -16.526 13.561 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -6.019 -15.742 15.900 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -4.770 -16.946 15.504 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -4.348 -15.219 15.581 1.00 0.00 H new ATOM 834 N GLY A 838 -5.967 -13.991 12.283 1.00 0.00 N ATOM 835 CA GLY A 838 -6.481 -12.688 11.904 1.00 0.00 C ATOM 836 C GLY A 838 -6.011 -11.586 12.833 1.00 0.00 C ATOM 837 O GLY A 838 -6.776 -10.686 13.179 1.00 0.00 O ATOM 0 H GLY A 838 -5.575 -14.537 11.516 1.00 0.00 H new ATOM 0 HA2 GLY A 838 -6.167 -12.459 10.886 1.00 0.00 H new ATOM 0 HA3 GLY A 838 -7.571 -12.717 11.902 1.00 0.00 H new ATOM 841 N LYS A 839 -4.748 -11.657 13.239 1.00 0.00 N ATOM 842 CA LYS A 839 -4.175 -10.658 14.134 1.00 0.00 C ATOM 843 C LYS A 839 -3.459 -9.567 13.345 1.00 0.00 C ATOM 844 O LYS A 839 -2.863 -9.815 12.297 1.00 0.00 O ATOM 845 CB LYS A 839 -3.200 -11.319 15.112 1.00 0.00 C ATOM 846 CG LYS A 839 -3.883 -12.005 16.282 1.00 0.00 C ATOM 847 CD LYS A 839 -4.414 -10.996 17.287 1.00 0.00 C ATOM 848 CE LYS A 839 -3.305 -10.466 18.183 1.00 0.00 C ATOM 849 NZ LYS A 839 -3.676 -9.169 18.815 1.00 0.00 N ATOM 0 H LYS A 839 -4.101 -12.396 12.963 1.00 0.00 H new ATOM 0 HA LYS A 839 -4.989 -10.200 14.696 1.00 0.00 H new ATOM 0 HB2 LYS A 839 -2.599 -12.051 14.573 1.00 0.00 H new ATOM 0 HB3 LYS A 839 -2.514 -10.563 15.495 1.00 0.00 H new ATOM 0 HG2 LYS A 839 -4.704 -12.621 15.915 1.00 0.00 H new ATOM 0 HG3 LYS A 839 -3.178 -12.674 16.775 1.00 0.00 H new ATOM 0 HD2 LYS A 839 -4.884 -10.167 16.758 1.00 0.00 H new ATOM 0 HD3 LYS A 839 -5.186 -11.462 17.899 1.00 0.00 H new ATOM 0 HE2 LYS A 839 -3.084 -11.198 18.959 1.00 0.00 H new ATOM 0 HE3 LYS A 839 -2.395 -10.338 17.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 -2.895 -8.841 19.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 -3.863 -8.463 18.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 -4.530 -9.297 19.394 1.00 0.00 H new ATOM 863 N PRO A 840 -3.516 -8.329 13.859 1.00 0.00 N ATOM 864 CA PRO A 840 -2.876 -7.176 13.219 1.00 0.00 C ATOM 865 C PRO A 840 -1.355 -7.242 13.293 1.00 0.00 C ATOM 866 O PRO A 840 -0.781 -7.408 14.370 1.00 0.00 O ATOM 867 CB PRO A 840 -3.400 -5.986 14.028 1.00 0.00 C ATOM 868 CG PRO A 840 -3.740 -6.555 15.362 1.00 0.00 C ATOM 869 CD PRO A 840 -4.209 -7.961 15.105 1.00 0.00 C ATOM 0 HA PRO A 840 -3.106 -7.121 12.155 1.00 0.00 H new ATOM 0 HB2 PRO A 840 -2.647 -5.202 14.112 1.00 0.00 H new ATOM 0 HB3 PRO A 840 -4.274 -5.539 13.554 1.00 0.00 H new ATOM 0 HG2 PRO A 840 -2.873 -6.547 16.022 1.00 0.00 H new ATOM 0 HG3 PRO A 840 -4.517 -5.967 15.850 1.00 0.00 H new ATOM 0 HD2 PRO A 840 -3.944 -8.629 15.925 1.00 0.00 H new ATOM 0 HD3 PRO A 840 -5.292 -8.009 14.992 1.00 0.00 H new ATOM 877 N LYS A 841 -0.705 -7.111 12.141 1.00 0.00 N ATOM 878 CA LYS A 841 0.751 -7.154 12.074 1.00 0.00 C ATOM 879 C LYS A 841 1.320 -5.782 11.729 1.00 0.00 C ATOM 880 O LYS A 841 2.532 -5.573 11.774 1.00 0.00 O ATOM 881 CB LYS A 841 1.204 -8.182 11.035 1.00 0.00 C ATOM 882 CG LYS A 841 0.753 -9.599 11.345 1.00 0.00 C ATOM 883 CD LYS A 841 0.696 -10.453 10.089 1.00 0.00 C ATOM 884 CE LYS A 841 2.088 -10.748 9.552 1.00 0.00 C ATOM 885 NZ LYS A 841 2.640 -9.599 8.782 1.00 0.00 N ATOM 0 H LYS A 841 -1.164 -6.974 11.241 1.00 0.00 H new ATOM 0 HA LYS A 841 1.127 -7.448 13.054 1.00 0.00 H new ATOM 0 HB2 LYS A 841 0.818 -7.892 10.058 1.00 0.00 H new ATOM 0 HB3 LYS A 841 2.292 -8.162 10.967 1.00 0.00 H new ATOM 0 HG2 LYS A 841 1.438 -10.051 12.063 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -0.230 -9.574 11.814 1.00 0.00 H new ATOM 0 HD2 LYS A 841 0.183 -11.390 10.308 1.00 0.00 H new ATOM 0 HD3 LYS A 841 0.111 -9.940 9.325 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.755 -10.983 10.381 1.00 0.00 H new ATOM 0 HE3 LYS A 841 2.051 -11.630 8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 3.086 -9.948 7.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 1.871 -8.942 8.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 3.349 -9.103 9.359 1.00 0.00 H new ATOM 899 N GLY A 842 0.437 -4.849 11.386 1.00 0.00 N ATOM 900 CA GLY A 842 0.872 -3.508 11.040 1.00 0.00 C ATOM 901 C GLY A 842 0.886 -3.272 9.543 1.00 0.00 C ATOM 902 O GLY A 842 0.529 -2.190 9.074 1.00 0.00 O ATOM 0 H GLY A 842 -0.571 -4.998 11.342 1.00 0.00 H new ATOM 0 HA2 GLY A 842 0.211 -2.782 11.513 1.00 0.00 H new ATOM 0 HA3 GLY A 842 1.871 -3.339 11.441 1.00 0.00 H new ATOM 906 N LEU A 843 1.301 -4.284 8.790 1.00 0.00 N ATOM 907 CA LEU A 843 1.363 -4.181 7.336 1.00 0.00 C ATOM 908 C LEU A 843 -0.037 -4.093 6.737 1.00 0.00 C ATOM 909 O LEU A 843 -0.953 -4.792 7.168 1.00 0.00 O ATOM 910 CB LEU A 843 2.105 -5.384 6.751 1.00 0.00 C ATOM 911 CG LEU A 843 3.512 -5.635 7.296 1.00 0.00 C ATOM 912 CD1 LEU A 843 4.046 -6.970 6.802 1.00 0.00 C ATOM 913 CD2 LEU A 843 4.448 -4.503 6.896 1.00 0.00 C ATOM 0 H LEU A 843 1.600 -5.186 9.162 1.00 0.00 H new ATOM 0 HA LEU A 843 1.905 -3.270 7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 843 1.504 -6.276 6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 843 2.173 -5.253 5.671 1.00 0.00 H new ATOM 0 HG LEU A 843 3.459 -5.669 8.384 1.00 0.00 H new ATOM 0 HD11 LEU A 843 5.048 -7.131 7.200 1.00 0.00 H new ATOM 0 HD12 LEU A 843 3.389 -7.772 7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 843 4.085 -6.966 5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 843 5.445 -4.698 7.292 1.00 0.00 H new ATOM 0 HD22 LEU A 843 4.496 -4.437 5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 843 4.075 -3.562 7.300 1.00 0.00 H new ATOM 925 N ALA A 844 -0.194 -3.230 5.738 1.00 0.00 N ATOM 926 CA ALA A 844 -1.481 -3.053 5.076 1.00 0.00 C ATOM 927 C ALA A 844 -1.304 -2.863 3.574 1.00 0.00 C ATOM 928 O ALA A 844 -0.324 -2.267 3.125 1.00 0.00 O ATOM 929 CB ALA A 844 -2.224 -1.869 5.677 1.00 0.00 C ATOM 0 H ALA A 844 0.554 -2.643 5.370 1.00 0.00 H new ATOM 0 HA ALA A 844 -2.071 -3.956 5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 844 -3.183 -1.748 5.174 1.00 0.00 H new ATOM 0 HB2 ALA A 844 -2.391 -2.046 6.739 1.00 0.00 H new ATOM 0 HB3 ALA A 844 -1.630 -0.964 5.549 1.00 0.00 H new ATOM 935 N TYR A 845 -2.256 -3.373 2.801 1.00 0.00 N ATOM 936 CA TYR A 845 -2.204 -3.261 1.348 1.00 0.00 C ATOM 937 C TYR A 845 -3.387 -2.455 0.821 1.00 0.00 C ATOM 938 O TYR A 845 -4.531 -2.679 1.216 1.00 0.00 O ATOM 939 CB TYR A 845 -2.194 -4.651 0.709 1.00 0.00 C ATOM 940 CG TYR A 845 -0.805 -5.214 0.505 1.00 0.00 C ATOM 941 CD1 TYR A 845 -0.185 -5.963 1.498 1.00 0.00 C ATOM 942 CD2 TYR A 845 -0.114 -4.997 -0.680 1.00 0.00 C ATOM 943 CE1 TYR A 845 1.084 -6.478 1.316 1.00 0.00 C ATOM 944 CE2 TYR A 845 1.155 -5.509 -0.871 1.00 0.00 C ATOM 945 CZ TYR A 845 1.750 -6.249 0.130 1.00 0.00 C ATOM 946 OH TYR A 845 3.013 -6.761 -0.056 1.00 0.00 O ATOM 0 H TYR A 845 -3.074 -3.868 3.156 1.00 0.00 H new ATOM 0 HA TYR A 845 -1.285 -2.739 1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 845 -2.765 -5.335 1.337 1.00 0.00 H new ATOM 0 HB3 TYR A 845 -2.702 -4.603 -0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 845 -0.704 -6.146 2.427 1.00 0.00 H new ATOM 0 HD2 TYR A 845 -0.577 -4.418 -1.466 1.00 0.00 H new ATOM 0 HE1 TYR A 845 1.552 -7.057 2.098 1.00 0.00 H new ATOM 0 HE2 TYR A 845 1.678 -5.331 -1.799 1.00 0.00 H new ATOM 0 HH TYR A 845 3.340 -6.509 -0.945 1.00 0.00 H new ATOM 956 N VAL A 846 -3.102 -1.516 -0.076 1.00 0.00 N ATOM 957 CA VAL A 846 -4.140 -0.677 -0.661 1.00 0.00 C ATOM 958 C VAL A 846 -4.140 -0.782 -2.182 1.00 0.00 C ATOM 959 O VAL A 846 -3.105 -1.039 -2.795 1.00 0.00 O ATOM 960 CB VAL A 846 -3.962 0.799 -0.259 1.00 0.00 C ATOM 961 CG1 VAL A 846 -5.066 1.654 -0.861 1.00 0.00 C ATOM 962 CG2 VAL A 846 -3.934 0.939 1.256 1.00 0.00 C ATOM 0 H VAL A 846 -2.160 -1.318 -0.413 1.00 0.00 H new ATOM 0 HA VAL A 846 -5.093 -1.038 -0.275 1.00 0.00 H new ATOM 0 HB VAL A 846 -3.008 1.151 -0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -4.923 2.693 -0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -5.034 1.578 -1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -6.034 1.304 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -3.808 1.988 1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -4.871 0.569 1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -3.104 0.360 1.660 1.00 0.00 H new ATOM 972 N GLU A 847 -5.308 -0.580 -2.783 1.00 0.00 N ATOM 973 CA GLU A 847 -5.442 -0.652 -4.234 1.00 0.00 C ATOM 974 C GLU A 847 -6.196 0.561 -4.771 1.00 0.00 C ATOM 975 O GLU A 847 -7.389 0.728 -4.517 1.00 0.00 O ATOM 976 CB GLU A 847 -6.168 -1.937 -4.637 1.00 0.00 C ATOM 977 CG GLU A 847 -5.753 -2.468 -5.999 1.00 0.00 C ATOM 978 CD GLU A 847 -6.817 -3.343 -6.633 1.00 0.00 C ATOM 979 OE1 GLU A 847 -7.870 -2.804 -7.031 1.00 0.00 O ATOM 980 OE2 GLU A 847 -6.595 -4.568 -6.732 1.00 0.00 O ATOM 0 H GLU A 847 -6.174 -0.365 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 847 -4.442 -0.657 -4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 847 -5.979 -2.703 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 847 -7.242 -1.752 -4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 847 -5.536 -1.630 -6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 847 -4.831 -3.040 -5.896 1.00 0.00 H new ATOM 987 N TYR A 848 -5.491 1.405 -5.516 1.00 0.00 N ATOM 988 CA TYR A 848 -6.091 2.605 -6.088 1.00 0.00 C ATOM 989 C TYR A 848 -6.589 2.342 -7.505 1.00 0.00 C ATOM 990 O TYR A 848 -6.344 1.279 -8.073 1.00 0.00 O ATOM 991 CB TYR A 848 -5.079 3.753 -6.095 1.00 0.00 C ATOM 992 CG TYR A 848 -5.060 4.551 -4.811 1.00 0.00 C ATOM 993 CD1 TYR A 848 -4.425 4.063 -3.676 1.00 0.00 C ATOM 994 CD2 TYR A 848 -5.678 5.793 -4.733 1.00 0.00 C ATOM 995 CE1 TYR A 848 -4.405 4.789 -2.501 1.00 0.00 C ATOM 996 CE2 TYR A 848 -5.662 6.526 -3.562 1.00 0.00 C ATOM 997 CZ TYR A 848 -5.025 6.020 -2.449 1.00 0.00 C ATOM 998 OH TYR A 848 -5.008 6.747 -1.281 1.00 0.00 O ATOM 0 H TYR A 848 -4.503 1.281 -5.738 1.00 0.00 H new ATOM 0 HA TYR A 848 -6.943 2.885 -5.469 1.00 0.00 H new ATOM 0 HB2 TYR A 848 -4.083 3.348 -6.276 1.00 0.00 H new ATOM 0 HB3 TYR A 848 -5.306 4.422 -6.925 1.00 0.00 H new ATOM 0 HD1 TYR A 848 -3.939 3.099 -3.713 1.00 0.00 H new ATOM 0 HD2 TYR A 848 -6.179 6.192 -5.602 1.00 0.00 H new ATOM 0 HE1 TYR A 848 -3.907 4.395 -1.628 1.00 0.00 H new ATOM 0 HE2 TYR A 848 -6.146 7.490 -3.519 1.00 0.00 H new ATOM 0 HH TYR A 848 -5.644 7.489 -1.348 1.00 0.00 H new ATOM 1008 N GLU A 849 -7.290 3.321 -8.070 1.00 0.00 N ATOM 1009 CA GLU A 849 -7.824 3.195 -9.421 1.00 0.00 C ATOM 1010 C GLU A 849 -6.771 3.574 -10.459 1.00 0.00 C ATOM 1011 O GLU A 849 -6.540 2.842 -11.420 1.00 0.00 O ATOM 1012 CB GLU A 849 -9.062 4.079 -9.589 1.00 0.00 C ATOM 1013 CG GLU A 849 -9.529 4.205 -11.029 1.00 0.00 C ATOM 1014 CD GLU A 849 -10.125 2.918 -11.564 1.00 0.00 C ATOM 1015 OE1 GLU A 849 -9.462 1.865 -11.449 1.00 0.00 O ATOM 1016 OE2 GLU A 849 -11.252 2.962 -12.098 1.00 0.00 O ATOM 0 H GLU A 849 -7.501 4.208 -7.614 1.00 0.00 H new ATOM 0 HA GLU A 849 -8.106 2.154 -9.577 1.00 0.00 H new ATOM 0 HB2 GLU A 849 -9.874 3.671 -8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 849 -8.844 5.073 -9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 849 -10.271 5.001 -11.098 1.00 0.00 H new ATOM 0 HG3 GLU A 849 -8.687 4.499 -11.656 1.00 0.00 H new ATOM 1023 N ASN A 850 -6.136 4.724 -10.257 1.00 0.00 N ATOM 1024 CA ASN A 850 -5.109 5.202 -11.175 1.00 0.00 C ATOM 1025 C ASN A 850 -3.727 5.123 -10.533 1.00 0.00 C ATOM 1026 O ASN A 850 -3.600 4.846 -9.341 1.00 0.00 O ATOM 1027 CB ASN A 850 -5.405 6.641 -11.600 1.00 0.00 C ATOM 1028 CG ASN A 850 -6.500 6.721 -12.646 1.00 0.00 C ATOM 1029 OD1 ASN A 850 -6.477 5.998 -13.642 1.00 0.00 O ATOM 1030 ND2 ASN A 850 -7.467 7.604 -12.424 1.00 0.00 N ATOM 0 H ASN A 850 -6.315 5.342 -9.466 1.00 0.00 H new ATOM 0 HA ASN A 850 -5.118 4.561 -12.057 1.00 0.00 H new ATOM 0 HB2 ASN A 850 -5.698 7.222 -10.726 1.00 0.00 H new ATOM 0 HB3 ASN A 850 -4.496 7.095 -11.994 1.00 0.00 H new ATOM 0 HD21 ASN A 850 -8.231 7.703 -13.093 1.00 0.00 H new ATOM 0 HD22 ASN A 850 -7.446 8.183 -11.585 1.00 0.00 H new ATOM 1037 N GLU A 851 -2.694 5.371 -11.333 1.00 0.00 N ATOM 1038 CA GLU A 851 -1.321 5.328 -10.842 1.00 0.00 C ATOM 1039 C GLU A 851 -0.941 6.646 -10.174 1.00 0.00 C ATOM 1040 O GLU A 851 -0.381 6.660 -9.078 1.00 0.00 O ATOM 1041 CB GLU A 851 -0.355 5.028 -11.990 1.00 0.00 C ATOM 1042 CG GLU A 851 -0.443 6.023 -13.135 1.00 0.00 C ATOM 1043 CD GLU A 851 0.487 5.676 -14.282 1.00 0.00 C ATOM 1044 OE1 GLU A 851 0.587 4.478 -14.622 1.00 0.00 O ATOM 1045 OE2 GLU A 851 1.113 6.600 -14.840 1.00 0.00 O ATOM 0 H GLU A 851 -2.782 5.603 -12.322 1.00 0.00 H new ATOM 0 HA GLU A 851 -1.252 4.532 -10.101 1.00 0.00 H new ATOM 0 HB2 GLU A 851 0.664 5.021 -11.604 1.00 0.00 H new ATOM 0 HB3 GLU A 851 -0.558 4.028 -12.373 1.00 0.00 H new ATOM 0 HG2 GLU A 851 -1.469 6.059 -13.502 1.00 0.00 H new ATOM 0 HG3 GLU A 851 -0.201 7.019 -12.765 1.00 0.00 H new ATOM 1052 N SER A 852 -1.249 7.753 -10.844 1.00 0.00 N ATOM 1053 CA SER A 852 -0.936 9.076 -10.318 1.00 0.00 C ATOM 1054 C SER A 852 -1.340 9.187 -8.851 1.00 0.00 C ATOM 1055 O SER A 852 -0.538 9.582 -8.004 1.00 0.00 O ATOM 1056 CB SER A 852 -1.647 10.155 -11.137 1.00 0.00 C ATOM 1057 OG SER A 852 -1.239 10.117 -12.494 1.00 0.00 O ATOM 0 H SER A 852 -1.715 7.759 -11.751 1.00 0.00 H new ATOM 0 HA SER A 852 0.141 9.224 -10.393 1.00 0.00 H new ATOM 0 HB2 SER A 852 -2.726 10.012 -11.074 1.00 0.00 H new ATOM 0 HB3 SER A 852 -1.431 11.137 -10.716 1.00 0.00 H new ATOM 0 HG SER A 852 -1.709 10.815 -12.997 1.00 0.00 H new ATOM 1063 N GLN A 853 -2.588 8.836 -8.559 1.00 0.00 N ATOM 1064 CA GLN A 853 -3.098 8.897 -7.194 1.00 0.00 C ATOM 1065 C GLN A 853 -2.194 8.125 -6.239 1.00 0.00 C ATOM 1066 O GLN A 853 -1.673 8.683 -5.275 1.00 0.00 O ATOM 1067 CB GLN A 853 -4.520 8.336 -7.134 1.00 0.00 C ATOM 1068 CG GLN A 853 -5.555 9.231 -7.797 1.00 0.00 C ATOM 1069 CD GLN A 853 -6.893 8.541 -7.979 1.00 0.00 C ATOM 1070 OE1 GLN A 853 -6.970 7.312 -8.017 1.00 0.00 O ATOM 1071 NE2 GLN A 853 -7.956 9.329 -8.091 1.00 0.00 N ATOM 0 H GLN A 853 -3.264 8.507 -9.248 1.00 0.00 H new ATOM 0 HA GLN A 853 -3.113 9.942 -6.885 1.00 0.00 H new ATOM 0 HB2 GLN A 853 -4.536 7.358 -7.614 1.00 0.00 H new ATOM 0 HB3 GLN A 853 -4.798 8.184 -6.091 1.00 0.00 H new ATOM 0 HG2 GLN A 853 -5.693 10.129 -7.195 1.00 0.00 H new ATOM 0 HG3 GLN A 853 -5.182 9.553 -8.769 1.00 0.00 H new ATOM 0 HE21 GLN A 853 -7.846 10.342 -8.054 1.00 0.00 H new ATOM 0 HE22 GLN A 853 -8.883 8.921 -8.214 1.00 0.00 H new ATOM 1080 N ALA A 854 -2.013 6.837 -6.515 1.00 0.00 N ATOM 1081 CA ALA A 854 -1.170 5.989 -5.682 1.00 0.00 C ATOM 1082 C ALA A 854 0.140 6.688 -5.334 1.00 0.00 C ATOM 1083 O ALA A 854 0.494 6.815 -4.162 1.00 0.00 O ATOM 1084 CB ALA A 854 -0.895 4.667 -6.383 1.00 0.00 C ATOM 0 H ALA A 854 -2.439 6.359 -7.309 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.703 5.791 -4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.264 4.044 -5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -1.837 4.154 -6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -0.386 4.855 -7.328 1.00 0.00 H new ATOM 1090 N SER A 855 0.855 7.139 -6.359 1.00 0.00 N ATOM 1091 CA SER A 855 2.128 7.822 -6.162 1.00 0.00 C ATOM 1092 C SER A 855 2.002 8.909 -5.099 1.00 0.00 C ATOM 1093 O SER A 855 2.627 8.832 -4.041 1.00 0.00 O ATOM 1094 CB SER A 855 2.613 8.433 -7.478 1.00 0.00 C ATOM 1095 OG SER A 855 3.841 9.117 -7.300 1.00 0.00 O ATOM 0 H SER A 855 0.574 7.044 -7.335 1.00 0.00 H new ATOM 0 HA SER A 855 2.857 7.087 -5.821 1.00 0.00 H new ATOM 0 HB2 SER A 855 2.735 7.648 -8.224 1.00 0.00 H new ATOM 0 HB3 SER A 855 1.861 9.123 -7.861 1.00 0.00 H new ATOM 0 HG SER A 855 4.131 9.497 -8.156 1.00 0.00 H new ATOM 1101 N GLN A 856 1.190 9.921 -5.389 1.00 0.00 N ATOM 1102 CA GLN A 856 0.983 11.024 -4.459 1.00 0.00 C ATOM 1103 C GLN A 856 0.772 10.507 -3.039 1.00 0.00 C ATOM 1104 O GLN A 856 1.460 10.925 -2.108 1.00 0.00 O ATOM 1105 CB GLN A 856 -0.219 11.865 -4.892 1.00 0.00 C ATOM 1106 CG GLN A 856 -0.110 13.330 -4.500 1.00 0.00 C ATOM 1107 CD GLN A 856 0.758 14.125 -5.455 1.00 0.00 C ATOM 1108 OE1 GLN A 856 1.780 14.687 -5.061 1.00 0.00 O ATOM 1109 NE2 GLN A 856 0.355 14.177 -6.719 1.00 0.00 N ATOM 0 H GLN A 856 0.665 9.999 -6.260 1.00 0.00 H new ATOM 0 HA GLN A 856 1.877 11.648 -4.470 1.00 0.00 H new ATOM 0 HB2 GLN A 856 -0.330 11.794 -5.974 1.00 0.00 H new ATOM 0 HB3 GLN A 856 -1.123 11.446 -4.451 1.00 0.00 H new ATOM 0 HG2 GLN A 856 -1.107 13.769 -4.469 1.00 0.00 H new ATOM 0 HG3 GLN A 856 0.302 13.403 -3.493 1.00 0.00 H new ATOM 0 HE21 GLN A 856 -0.499 13.696 -7.002 1.00 0.00 H new ATOM 0 HE22 GLN A 856 0.899 14.698 -7.407 1.00 0.00 H new ATOM 1118 N ALA A 857 -0.183 9.596 -2.882 1.00 0.00 N ATOM 1119 CA ALA A 857 -0.483 9.022 -1.577 1.00 0.00 C ATOM 1120 C ALA A 857 0.770 8.434 -0.935 1.00 0.00 C ATOM 1121 O ALA A 857 0.992 8.583 0.267 1.00 0.00 O ATOM 1122 CB ALA A 857 -1.562 7.957 -1.704 1.00 0.00 C ATOM 0 H ALA A 857 -0.762 9.240 -3.643 1.00 0.00 H new ATOM 0 HA ALA A 857 -0.850 9.820 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 857 -1.776 7.537 -0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 857 -2.468 8.404 -2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 857 -1.216 7.166 -2.369 1.00 0.00 H new ATOM 1128 N VAL A 858 1.585 7.765 -1.743 1.00 0.00 N ATOM 1129 CA VAL A 858 2.816 7.155 -1.254 1.00 0.00 C ATOM 1130 C VAL A 858 3.725 8.194 -0.608 1.00 0.00 C ATOM 1131 O VAL A 858 4.266 7.973 0.475 1.00 0.00 O ATOM 1132 CB VAL A 858 3.584 6.452 -2.389 1.00 0.00 C ATOM 1133 CG1 VAL A 858 4.859 5.816 -1.857 1.00 0.00 C ATOM 1134 CG2 VAL A 858 2.702 5.413 -3.065 1.00 0.00 C ATOM 0 H VAL A 858 1.415 7.631 -2.740 1.00 0.00 H new ATOM 0 HA VAL A 858 2.527 6.415 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 858 3.862 7.199 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 858 5.388 5.324 -2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 858 5.496 6.587 -1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 858 4.607 5.081 -1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 858 3.261 4.926 -3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 858 2.392 4.667 -2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 858 1.821 5.900 -3.483 1.00 0.00 H new ATOM 1144 N MET A 859 3.889 9.329 -1.280 1.00 0.00 N ATOM 1145 CA MET A 859 4.732 10.405 -0.769 1.00 0.00 C ATOM 1146 C MET A 859 4.140 11.002 0.503 1.00 0.00 C ATOM 1147 O MET A 859 4.782 11.012 1.554 1.00 0.00 O ATOM 1148 CB MET A 859 4.900 11.495 -1.829 1.00 0.00 C ATOM 1149 CG MET A 859 6.092 11.273 -2.746 1.00 0.00 C ATOM 1150 SD MET A 859 5.768 10.035 -4.016 1.00 0.00 S ATOM 1151 CE MET A 859 6.976 8.784 -3.586 1.00 0.00 C ATOM 0 H MET A 859 3.450 9.528 -2.179 1.00 0.00 H new ATOM 0 HA MET A 859 5.710 9.986 -0.530 1.00 0.00 H new ATOM 0 HB2 MET A 859 3.993 11.547 -2.432 1.00 0.00 H new ATOM 0 HB3 MET A 859 5.009 12.459 -1.333 1.00 0.00 H new ATOM 0 HG2 MET A 859 6.360 12.216 -3.223 1.00 0.00 H new ATOM 0 HG3 MET A 859 6.951 10.962 -2.151 1.00 0.00 H new ATOM 0 HE1 MET A 859 6.900 7.950 -4.283 1.00 0.00 H new ATOM 0 HE2 MET A 859 7.977 9.211 -3.640 1.00 0.00 H new ATOM 0 HE3 MET A 859 6.787 8.429 -2.573 1.00 0.00 H new ATOM 1161 N LYS A 860 2.912 11.500 0.402 1.00 0.00 N ATOM 1162 CA LYS A 860 2.232 12.099 1.545 1.00 0.00 C ATOM 1163 C LYS A 860 2.306 11.183 2.763 1.00 0.00 C ATOM 1164 O LYS A 860 2.807 11.576 3.816 1.00 0.00 O ATOM 1165 CB LYS A 860 0.770 12.389 1.199 1.00 0.00 C ATOM 1166 CG LYS A 860 0.599 13.316 0.008 1.00 0.00 C ATOM 1167 CD LYS A 860 0.554 14.773 0.437 1.00 0.00 C ATOM 1168 CE LYS A 860 -0.869 15.223 0.732 1.00 0.00 C ATOM 1169 NZ LYS A 860 -1.279 14.889 2.123 1.00 0.00 N ATOM 0 H LYS A 860 2.367 11.501 -0.460 1.00 0.00 H new ATOM 0 HA LYS A 860 2.735 13.036 1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.261 11.448 0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 860 0.281 12.832 2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.422 13.167 -0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 860 -0.319 13.063 -0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 860 1.172 14.912 1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 860 0.979 15.398 -0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -0.949 16.299 0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -1.553 14.749 0.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 -2.041 15.530 2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -1.619 13.907 2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 -0.464 14.997 2.760 1.00 0.00 H new ATOM 1183 N MET A 861 1.804 9.962 2.610 1.00 0.00 N ATOM 1184 CA MET A 861 1.816 8.990 3.698 1.00 0.00 C ATOM 1185 C MET A 861 3.246 8.638 4.097 1.00 0.00 C ATOM 1186 O MET A 861 3.578 8.598 5.282 1.00 0.00 O ATOM 1187 CB MET A 861 1.062 7.724 3.287 1.00 0.00 C ATOM 1188 CG MET A 861 -0.396 7.972 2.937 1.00 0.00 C ATOM 1189 SD MET A 861 -1.406 6.485 3.076 1.00 0.00 S ATOM 1190 CE MET A 861 -2.909 7.019 2.262 1.00 0.00 C ATOM 0 H MET A 861 1.384 9.622 1.745 1.00 0.00 H new ATOM 0 HA MET A 861 1.318 9.438 4.558 1.00 0.00 H new ATOM 0 HB2 MET A 861 1.562 7.276 2.428 1.00 0.00 H new ATOM 0 HB3 MET A 861 1.114 7.000 4.100 1.00 0.00 H new ATOM 0 HG2 MET A 861 -0.798 8.742 3.595 1.00 0.00 H new ATOM 0 HG3 MET A 861 -0.461 8.357 1.919 1.00 0.00 H new ATOM 0 HE1 MET A 861 -3.671 6.245 2.360 1.00 0.00 H new ATOM 0 HE2 MET A 861 -3.265 7.940 2.724 1.00 0.00 H new ATOM 0 HE3 MET A 861 -2.707 7.197 1.206 1.00 0.00 H new ATOM 1200 N ASP A 862 4.087 8.384 3.101 1.00 0.00 N ATOM 1201 CA ASP A 862 5.482 8.036 3.348 1.00 0.00 C ATOM 1202 C ASP A 862 6.057 8.873 4.487 1.00 0.00 C ATOM 1203 O ASP A 862 6.490 10.006 4.281 1.00 0.00 O ATOM 1204 CB ASP A 862 6.313 8.238 2.080 1.00 0.00 C ATOM 1205 CG ASP A 862 7.767 8.542 2.383 1.00 0.00 C ATOM 1206 OD1 ASP A 862 8.415 7.721 3.065 1.00 0.00 O ATOM 1207 OD2 ASP A 862 8.257 9.601 1.937 1.00 0.00 O ATOM 0 H ASP A 862 3.828 8.412 2.115 1.00 0.00 H new ATOM 0 HA ASP A 862 5.523 6.986 3.636 1.00 0.00 H new ATOM 0 HB2 ASP A 862 6.253 7.341 1.463 1.00 0.00 H new ATOM 0 HB3 ASP A 862 5.888 9.055 1.497 1.00 0.00 H new ATOM 1212 N GLY A 863 6.057 8.306 5.690 1.00 0.00 N ATOM 1213 CA GLY A 863 6.580 9.014 6.843 1.00 0.00 C ATOM 1214 C GLY A 863 5.568 9.969 7.445 1.00 0.00 C ATOM 1215 O GLY A 863 5.898 11.110 7.768 1.00 0.00 O ATOM 0 H GLY A 863 5.704 7.369 5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 863 6.889 8.292 7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 863 7.471 9.570 6.551 1.00 0.00 H new ATOM 1219 N MET A 864 4.332 9.503 7.594 1.00 0.00 N ATOM 1220 CA MET A 864 3.269 10.326 8.160 1.00 0.00 C ATOM 1221 C MET A 864 2.930 9.875 9.577 1.00 0.00 C ATOM 1222 O MET A 864 3.014 8.689 9.900 1.00 0.00 O ATOM 1223 CB MET A 864 2.021 10.261 7.278 1.00 0.00 C ATOM 1224 CG MET A 864 1.197 9.000 7.484 1.00 0.00 C ATOM 1225 SD MET A 864 -0.425 9.095 6.701 1.00 0.00 S ATOM 1226 CE MET A 864 -1.298 10.148 7.857 1.00 0.00 C ATOM 0 H MET A 864 4.042 8.561 7.331 1.00 0.00 H new ATOM 0 HA MET A 864 3.622 11.356 8.201 1.00 0.00 H new ATOM 0 HB2 MET A 864 1.396 11.131 7.482 1.00 0.00 H new ATOM 0 HB3 MET A 864 2.322 10.322 6.232 1.00 0.00 H new ATOM 0 HG2 MET A 864 1.741 8.145 7.082 1.00 0.00 H new ATOM 0 HG3 MET A 864 1.071 8.823 8.552 1.00 0.00 H new ATOM 0 HE1 MET A 864 -2.217 9.655 8.176 1.00 0.00 H new ATOM 0 HE2 MET A 864 -0.667 10.336 8.726 1.00 0.00 H new ATOM 0 HE3 MET A 864 -1.542 11.094 7.374 1.00 0.00 H new ATOM 1236 N THR A 865 2.546 10.828 10.421 1.00 0.00 N ATOM 1237 CA THR A 865 2.195 10.529 11.803 1.00 0.00 C ATOM 1238 C THR A 865 0.751 10.051 11.913 1.00 0.00 C ATOM 1239 O THR A 865 -0.133 10.554 11.219 1.00 0.00 O ATOM 1240 CB THR A 865 2.388 11.759 12.711 1.00 0.00 C ATOM 1241 OG1 THR A 865 3.487 12.546 12.241 1.00 0.00 O ATOM 1242 CG2 THR A 865 2.639 11.335 14.150 1.00 0.00 C ATOM 0 H THR A 865 2.470 11.814 10.171 1.00 0.00 H new ATOM 0 HA THR A 865 2.864 9.734 12.134 1.00 0.00 H new ATOM 0 HB THR A 865 1.476 12.354 12.679 1.00 0.00 H new ATOM 0 HG1 THR A 865 3.602 13.327 12.822 1.00 0.00 H new ATOM 0 HG21 THR A 865 2.772 12.220 14.772 1.00 0.00 H new ATOM 0 HG22 THR A 865 1.787 10.761 14.514 1.00 0.00 H new ATOM 0 HG23 THR A 865 3.538 10.720 14.197 1.00 0.00 H new ATOM 1250 N ILE A 866 0.520 9.079 12.789 1.00 0.00 N ATOM 1251 CA ILE A 866 -0.818 8.536 12.990 1.00 0.00 C ATOM 1252 C ILE A 866 -0.987 8.004 14.410 1.00 0.00 C ATOM 1253 O ILE A 866 -0.444 6.957 14.761 1.00 0.00 O ATOM 1254 CB ILE A 866 -1.123 7.405 11.990 1.00 0.00 C ATOM 1255 CG1 ILE A 866 -1.085 7.939 10.557 1.00 0.00 C ATOM 1256 CG2 ILE A 866 -2.477 6.781 12.294 1.00 0.00 C ATOM 1257 CD1 ILE A 866 -1.230 6.860 9.507 1.00 0.00 C ATOM 0 H ILE A 866 1.241 8.652 13.370 1.00 0.00 H new ATOM 0 HA ILE A 866 -1.519 9.354 12.825 1.00 0.00 H new ATOM 0 HB ILE A 866 -0.359 6.634 12.090 1.00 0.00 H new ATOM 0 HG12 ILE A 866 -1.884 8.669 10.429 1.00 0.00 H new ATOM 0 HG13 ILE A 866 -0.144 8.465 10.399 1.00 0.00 H new ATOM 0 HG21 ILE A 866 -2.679 5.983 11.579 1.00 0.00 H new ATOM 0 HG22 ILE A 866 -2.470 6.370 13.304 1.00 0.00 H new ATOM 0 HG23 ILE A 866 -3.254 7.542 12.217 1.00 0.00 H new ATOM 0 HD11 ILE A 866 -1.194 7.310 8.515 1.00 0.00 H new ATOM 0 HD12 ILE A 866 -0.417 6.142 9.609 1.00 0.00 H new ATOM 0 HD13 ILE A 866 -2.184 6.349 9.639 1.00 0.00 H new ATOM 1269 N LYS A 867 -1.746 8.732 15.222 1.00 0.00 N ATOM 1270 CA LYS A 867 -1.992 8.333 16.602 1.00 0.00 C ATOM 1271 C LYS A 867 -0.683 8.225 17.378 1.00 0.00 C ATOM 1272 O LYS A 867 -0.533 7.363 18.243 1.00 0.00 O ATOM 1273 CB LYS A 867 -2.733 6.995 16.644 1.00 0.00 C ATOM 1274 CG LYS A 867 -4.240 7.130 16.516 1.00 0.00 C ATOM 1275 CD LYS A 867 -4.931 5.779 16.599 1.00 0.00 C ATOM 1276 CE LYS A 867 -4.823 5.017 15.286 1.00 0.00 C ATOM 1277 NZ LYS A 867 -5.808 5.503 14.281 1.00 0.00 N ATOM 0 H LYS A 867 -2.202 9.602 14.947 1.00 0.00 H new ATOM 0 HA LYS A 867 -2.611 9.099 17.070 1.00 0.00 H new ATOM 0 HB2 LYS A 867 -2.364 6.359 15.839 1.00 0.00 H new ATOM 0 HB3 LYS A 867 -2.500 6.490 17.581 1.00 0.00 H new ATOM 0 HG2 LYS A 867 -4.616 7.781 17.305 1.00 0.00 H new ATOM 0 HG3 LYS A 867 -4.484 7.607 15.567 1.00 0.00 H new ATOM 0 HD2 LYS A 867 -4.486 5.190 17.401 1.00 0.00 H new ATOM 0 HD3 LYS A 867 -5.981 5.921 16.853 1.00 0.00 H new ATOM 0 HE2 LYS A 867 -3.814 5.123 14.887 1.00 0.00 H new ATOM 0 HE3 LYS A 867 -4.984 3.954 15.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 867 -5.749 4.915 13.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 867 -6.767 5.442 14.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 867 -5.596 6.492 14.037 1.00 0.00 H new ATOM 1291 N GLU A 868 0.261 9.107 17.063 1.00 0.00 N ATOM 1292 CA GLU A 868 1.556 9.111 17.732 1.00 0.00 C ATOM 1293 C GLU A 868 2.421 7.950 17.249 1.00 0.00 C ATOM 1294 O GLU A 868 3.063 7.267 18.046 1.00 0.00 O ATOM 1295 CB GLU A 868 1.372 9.027 19.249 1.00 0.00 C ATOM 1296 CG GLU A 868 2.588 9.487 20.036 1.00 0.00 C ATOM 1297 CD GLU A 868 2.714 10.998 20.083 1.00 0.00 C ATOM 1298 OE1 GLU A 868 2.317 11.658 19.100 1.00 0.00 O ATOM 1299 OE2 GLU A 868 3.210 11.519 21.104 1.00 0.00 O ATOM 0 H GLU A 868 0.153 9.827 16.349 1.00 0.00 H new ATOM 0 HA GLU A 868 2.061 10.045 17.486 1.00 0.00 H new ATOM 0 HB2 GLU A 868 0.513 9.633 19.536 1.00 0.00 H new ATOM 0 HB3 GLU A 868 1.141 7.997 19.522 1.00 0.00 H new ATOM 0 HG2 GLU A 868 2.526 9.099 21.053 1.00 0.00 H new ATOM 0 HG3 GLU A 868 3.487 9.065 19.588 1.00 0.00 H new ATOM 1306 N ASN A 869 2.432 7.734 15.938 1.00 0.00 N ATOM 1307 CA ASN A 869 3.217 6.656 15.347 1.00 0.00 C ATOM 1308 C ASN A 869 3.544 6.957 13.888 1.00 0.00 C ATOM 1309 O ASN A 869 2.656 6.989 13.036 1.00 0.00 O ATOM 1310 CB ASN A 869 2.458 5.331 15.448 1.00 0.00 C ATOM 1311 CG ASN A 869 3.372 4.129 15.306 1.00 0.00 C ATOM 1312 OD1 ASN A 869 4.125 4.018 14.339 1.00 0.00 O ATOM 1313 ND2 ASN A 869 3.310 3.221 16.273 1.00 0.00 N ATOM 0 H ASN A 869 1.906 8.291 15.264 1.00 0.00 H new ATOM 0 HA ASN A 869 4.152 6.575 15.901 1.00 0.00 H new ATOM 0 HB2 ASN A 869 1.944 5.282 16.408 1.00 0.00 H new ATOM 0 HB3 ASN A 869 1.691 5.295 14.674 1.00 0.00 H new ATOM 0 HD21 ASN A 869 3.902 2.391 16.232 1.00 0.00 H new ATOM 0 HD22 ASN A 869 2.671 3.354 17.057 1.00 0.00 H new ATOM 1320 N ILE A 870 4.824 7.176 13.608 1.00 0.00 N ATOM 1321 CA ILE A 870 5.269 7.473 12.252 1.00 0.00 C ATOM 1322 C ILE A 870 5.191 6.236 11.364 1.00 0.00 C ATOM 1323 O ILE A 870 5.905 5.257 11.583 1.00 0.00 O ATOM 1324 CB ILE A 870 6.712 8.011 12.238 1.00 0.00 C ATOM 1325 CG1 ILE A 870 6.731 9.493 12.620 1.00 0.00 C ATOM 1326 CG2 ILE A 870 7.341 7.803 10.868 1.00 0.00 C ATOM 1327 CD1 ILE A 870 6.377 10.416 11.475 1.00 0.00 C ATOM 0 H ILE A 870 5.571 7.153 14.302 1.00 0.00 H new ATOM 0 HA ILE A 870 4.600 8.240 11.862 1.00 0.00 H new ATOM 0 HB ILE A 870 7.298 7.459 12.973 1.00 0.00 H new ATOM 0 HG12 ILE A 870 6.031 9.658 13.439 1.00 0.00 H new ATOM 0 HG13 ILE A 870 7.723 9.752 12.991 1.00 0.00 H new ATOM 0 HG21 ILE A 870 8.361 8.188 10.874 1.00 0.00 H new ATOM 0 HG22 ILE A 870 7.356 6.739 10.632 1.00 0.00 H new ATOM 0 HG23 ILE A 870 6.757 8.333 10.115 1.00 0.00 H new ATOM 0 HD11 ILE A 870 6.410 11.450 11.818 1.00 0.00 H new ATOM 0 HD12 ILE A 870 7.092 10.279 10.663 1.00 0.00 H new ATOM 0 HD13 ILE A 870 5.374 10.184 11.118 1.00 0.00 H new ATOM 1339 N ILE A 871 4.320 6.287 10.362 1.00 0.00 N ATOM 1340 CA ILE A 871 4.151 5.172 9.440 1.00 0.00 C ATOM 1341 C ILE A 871 4.854 5.443 8.114 1.00 0.00 C ATOM 1342 O ILE A 871 4.981 6.592 7.689 1.00 0.00 O ATOM 1343 CB ILE A 871 2.662 4.886 9.169 1.00 0.00 C ATOM 1344 CG1 ILE A 871 2.097 5.903 8.175 1.00 0.00 C ATOM 1345 CG2 ILE A 871 1.873 4.912 10.469 1.00 0.00 C ATOM 1346 CD1 ILE A 871 2.467 5.613 6.737 1.00 0.00 C ATOM 0 H ILE A 871 3.720 7.089 10.168 1.00 0.00 H new ATOM 0 HA ILE A 871 4.600 4.300 9.915 1.00 0.00 H new ATOM 0 HB ILE A 871 2.572 3.892 8.732 1.00 0.00 H new ATOM 0 HG12 ILE A 871 1.011 5.922 8.265 1.00 0.00 H new ATOM 0 HG13 ILE A 871 2.457 6.897 8.441 1.00 0.00 H new ATOM 0 HG21 ILE A 871 0.823 4.708 10.261 1.00 0.00 H new ATOM 0 HG22 ILE A 871 2.263 4.152 11.147 1.00 0.00 H new ATOM 0 HG23 ILE A 871 1.967 5.894 10.932 1.00 0.00 H new ATOM 0 HD11 ILE A 871 2.032 6.374 6.089 1.00 0.00 H new ATOM 0 HD12 ILE A 871 3.552 5.623 6.631 1.00 0.00 H new ATOM 0 HD13 ILE A 871 2.084 4.633 6.453 1.00 0.00 H new ATOM 1358 N LYS A 872 5.310 4.378 7.463 1.00 0.00 N ATOM 1359 CA LYS A 872 5.998 4.499 6.184 1.00 0.00 C ATOM 1360 C LYS A 872 5.192 3.843 5.068 1.00 0.00 C ATOM 1361 O LYS A 872 4.416 2.918 5.310 1.00 0.00 O ATOM 1362 CB LYS A 872 7.387 3.861 6.266 1.00 0.00 C ATOM 1363 CG LYS A 872 8.192 3.989 4.984 1.00 0.00 C ATOM 1364 CD LYS A 872 9.447 3.134 5.026 1.00 0.00 C ATOM 1365 CE LYS A 872 10.380 3.455 3.869 1.00 0.00 C ATOM 1366 NZ LYS A 872 11.378 2.373 3.644 1.00 0.00 N ATOM 0 H LYS A 872 5.215 3.420 7.801 1.00 0.00 H new ATOM 0 HA LYS A 872 6.104 5.560 5.957 1.00 0.00 H new ATOM 0 HB2 LYS A 872 7.943 4.324 7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 872 7.279 2.805 6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 872 7.576 3.691 4.135 1.00 0.00 H new ATOM 0 HG3 LYS A 872 8.466 5.032 4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 872 9.967 3.296 5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 872 9.172 2.080 4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 872 9.795 3.604 2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 872 10.899 4.392 4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 872 11.995 2.630 2.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 872 11.954 2.248 4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 872 10.883 1.484 3.426 1.00 0.00 H new ATOM 1380 N VAL A 873 5.381 4.326 3.844 1.00 0.00 N ATOM 1381 CA VAL A 873 4.673 3.784 2.690 1.00 0.00 C ATOM 1382 C VAL A 873 5.629 3.521 1.533 1.00 0.00 C ATOM 1383 O VAL A 873 6.434 4.379 1.171 1.00 0.00 O ATOM 1384 CB VAL A 873 3.560 4.738 2.216 1.00 0.00 C ATOM 1385 CG1 VAL A 873 2.723 4.084 1.128 1.00 0.00 C ATOM 1386 CG2 VAL A 873 2.689 5.164 3.388 1.00 0.00 C ATOM 0 H VAL A 873 6.019 5.092 3.626 1.00 0.00 H new ATOM 0 HA VAL A 873 4.224 2.843 3.007 1.00 0.00 H new ATOM 0 HB VAL A 873 4.025 5.630 1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 873 1.942 4.773 0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 873 3.360 3.835 0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 873 2.266 3.174 1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 873 1.908 5.838 3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 873 2.232 4.284 3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 873 3.302 5.676 4.130 1.00 0.00 H new ATOM 1396 N ALA A 874 5.535 2.328 0.955 1.00 0.00 N ATOM 1397 CA ALA A 874 6.390 1.952 -0.164 1.00 0.00 C ATOM 1398 C ALA A 874 5.567 1.392 -1.320 1.00 0.00 C ATOM 1399 O ALA A 874 4.537 0.752 -1.108 1.00 0.00 O ATOM 1400 CB ALA A 874 7.431 0.937 0.285 1.00 0.00 C ATOM 0 H ALA A 874 4.875 1.605 1.243 1.00 0.00 H new ATOM 0 HA ALA A 874 6.900 2.848 -0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 874 8.063 0.665 -0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 874 8.047 1.371 1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 874 6.931 0.046 0.665 1.00 0.00 H new ATOM 1406 N ILE A 875 6.028 1.639 -2.542 1.00 0.00 N ATOM 1407 CA ILE A 875 5.334 1.159 -3.731 1.00 0.00 C ATOM 1408 C ILE A 875 5.222 -0.361 -3.726 1.00 0.00 C ATOM 1409 O ILE A 875 6.226 -1.068 -3.812 1.00 0.00 O ATOM 1410 CB ILE A 875 6.049 1.607 -5.019 1.00 0.00 C ATOM 1411 CG1 ILE A 875 6.277 3.120 -5.003 1.00 0.00 C ATOM 1412 CG2 ILE A 875 5.241 1.200 -6.242 1.00 0.00 C ATOM 1413 CD1 ILE A 875 4.995 3.923 -4.982 1.00 0.00 C ATOM 0 H ILE A 875 6.878 2.168 -2.734 1.00 0.00 H new ATOM 0 HA ILE A 875 4.335 1.594 -3.711 1.00 0.00 H new ATOM 0 HB ILE A 875 7.020 1.114 -5.068 1.00 0.00 H new ATOM 0 HG12 ILE A 875 6.874 3.380 -4.129 1.00 0.00 H new ATOM 0 HG13 ILE A 875 6.858 3.401 -5.881 1.00 0.00 H new ATOM 0 HG21 ILE A 875 5.759 1.524 -7.145 1.00 0.00 H new ATOM 0 HG22 ILE A 875 5.126 0.116 -6.258 1.00 0.00 H new ATOM 0 HG23 ILE A 875 4.258 1.668 -6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 875 5.232 4.987 -4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 875 4.406 3.691 -5.869 1.00 0.00 H new ATOM 0 HD13 ILE A 875 4.422 3.670 -4.090 1.00 0.00 H new ATOM 1425 N SER A 876 3.994 -0.859 -3.627 1.00 0.00 N ATOM 1426 CA SER A 876 3.750 -2.296 -3.610 1.00 0.00 C ATOM 1427 C SER A 876 4.739 -3.026 -4.513 1.00 0.00 C ATOM 1428 O SER A 876 4.931 -2.653 -5.670 1.00 0.00 O ATOM 1429 CB SER A 876 2.318 -2.598 -4.054 1.00 0.00 C ATOM 1430 OG SER A 876 2.071 -3.993 -4.067 1.00 0.00 O ATOM 0 H SER A 876 3.152 -0.288 -3.557 1.00 0.00 H new ATOM 0 HA SER A 876 3.888 -2.650 -2.588 1.00 0.00 H new ATOM 0 HB2 SER A 876 1.614 -2.107 -3.381 1.00 0.00 H new ATOM 0 HB3 SER A 876 2.148 -2.186 -5.049 1.00 0.00 H new ATOM 0 HG SER A 876 1.125 -4.159 -3.875 1.00 0.00 H new ATOM 1436 N ASN A 877 5.365 -4.068 -3.976 1.00 0.00 N ATOM 1437 CA ASN A 877 6.335 -4.851 -4.733 1.00 0.00 C ATOM 1438 C ASN A 877 5.862 -5.064 -6.167 1.00 0.00 C ATOM 1439 O ASN A 877 4.674 -5.272 -6.415 1.00 0.00 O ATOM 1440 CB ASN A 877 6.571 -6.202 -4.055 1.00 0.00 C ATOM 1441 CG ASN A 877 5.620 -7.273 -4.554 1.00 0.00 C ATOM 1442 OD1 ASN A 877 4.406 -7.171 -4.377 1.00 0.00 O ATOM 1443 ND2 ASN A 877 6.170 -8.307 -5.181 1.00 0.00 N ATOM 0 H ASN A 877 5.218 -4.390 -3.019 1.00 0.00 H new ATOM 0 HA ASN A 877 7.273 -4.296 -4.758 1.00 0.00 H new ATOM 0 HB2 ASN A 877 7.598 -6.520 -4.233 1.00 0.00 H new ATOM 0 HB3 ASN A 877 6.454 -6.090 -2.977 1.00 0.00 H new ATOM 0 HD21 ASN A 877 5.581 -9.059 -5.539 1.00 0.00 H new ATOM 0 HD22 ASN A 877 7.182 -8.349 -5.305 1.00 0.00 H new ATOM 1450 N SER A 878 6.799 -5.012 -7.108 1.00 0.00 N ATOM 1451 CA SER A 878 6.478 -5.196 -8.518 1.00 0.00 C ATOM 1452 C SER A 878 7.749 -5.349 -9.349 1.00 0.00 C ATOM 1453 O SER A 878 8.836 -4.969 -8.917 1.00 0.00 O ATOM 1454 CB SER A 878 5.657 -4.013 -9.035 1.00 0.00 C ATOM 1455 OG SER A 878 6.334 -2.788 -8.815 1.00 0.00 O ATOM 0 H SER A 878 7.787 -4.844 -6.919 1.00 0.00 H new ATOM 0 HA SER A 878 5.889 -6.108 -8.615 1.00 0.00 H new ATOM 0 HB2 SER A 878 5.463 -4.139 -10.100 1.00 0.00 H new ATOM 0 HB3 SER A 878 4.689 -3.992 -8.535 1.00 0.00 H new ATOM 0 HG SER A 878 5.790 -2.048 -9.156 1.00 0.00 H new ATOM 1461 N GLY A 879 7.602 -5.910 -10.546 1.00 0.00 N ATOM 1462 CA GLY A 879 8.744 -6.105 -11.419 1.00 0.00 C ATOM 1463 C GLY A 879 8.720 -7.452 -12.113 1.00 0.00 C ATOM 1464 O GLY A 879 8.275 -8.455 -11.554 1.00 0.00 O ATOM 0 H GLY A 879 6.712 -6.233 -10.926 1.00 0.00 H new ATOM 0 HA2 GLY A 879 8.764 -5.314 -12.169 1.00 0.00 H new ATOM 0 HA3 GLY A 879 9.661 -6.016 -10.837 1.00 0.00 H new ATOM 1468 N PRO A 880 9.207 -7.487 -13.363 1.00 0.00 N ATOM 1469 CA PRO A 880 9.250 -8.716 -14.161 1.00 0.00 C ATOM 1470 C PRO A 880 10.271 -9.717 -13.631 1.00 0.00 C ATOM 1471 O PRO A 880 11.465 -9.607 -13.909 1.00 0.00 O ATOM 1472 CB PRO A 880 9.659 -8.221 -15.551 1.00 0.00 C ATOM 1473 CG PRO A 880 10.399 -6.953 -15.299 1.00 0.00 C ATOM 1474 CD PRO A 880 9.754 -6.331 -14.092 1.00 0.00 C ATOM 0 HA PRO A 880 8.298 -9.246 -14.144 1.00 0.00 H new ATOM 0 HB2 PRO A 880 10.287 -8.951 -16.062 1.00 0.00 H new ATOM 0 HB3 PRO A 880 8.787 -8.052 -16.183 1.00 0.00 H new ATOM 0 HG2 PRO A 880 11.457 -7.147 -15.120 1.00 0.00 H new ATOM 0 HG3 PRO A 880 10.338 -6.288 -16.160 1.00 0.00 H new ATOM 0 HD2 PRO A 880 10.477 -5.781 -13.489 1.00 0.00 H new ATOM 0 HD3 PRO A 880 8.971 -5.626 -14.373 1.00 0.00 H new ATOM 1482 N SER A 881 9.792 -10.693 -12.866 1.00 0.00 N ATOM 1483 CA SER A 881 10.664 -11.713 -12.293 1.00 0.00 C ATOM 1484 C SER A 881 11.234 -12.615 -13.384 1.00 0.00 C ATOM 1485 O SER A 881 10.725 -13.708 -13.629 1.00 0.00 O ATOM 1486 CB SER A 881 9.898 -12.553 -11.270 1.00 0.00 C ATOM 1487 OG SER A 881 10.715 -13.583 -10.742 1.00 0.00 O ATOM 0 H SER A 881 8.806 -10.799 -12.629 1.00 0.00 H new ATOM 0 HA SER A 881 11.491 -11.210 -11.792 1.00 0.00 H new ATOM 0 HB2 SER A 881 9.545 -11.914 -10.461 1.00 0.00 H new ATOM 0 HB3 SER A 881 9.016 -12.989 -11.740 1.00 0.00 H new ATOM 0 HG SER A 881 10.203 -14.105 -10.089 1.00 0.00 H new ATOM 1493 N SER A 882 12.295 -12.148 -14.035 1.00 0.00 N ATOM 1494 CA SER A 882 12.933 -12.909 -15.102 1.00 0.00 C ATOM 1495 C SER A 882 13.409 -14.266 -14.592 1.00 0.00 C ATOM 1496 O SER A 882 13.083 -15.306 -15.163 1.00 0.00 O ATOM 1497 CB SER A 882 14.113 -12.126 -15.681 1.00 0.00 C ATOM 1498 OG SER A 882 15.096 -11.880 -14.690 1.00 0.00 O ATOM 0 H SER A 882 12.731 -11.246 -13.842 1.00 0.00 H new ATOM 0 HA SER A 882 12.196 -13.074 -15.888 1.00 0.00 H new ATOM 0 HB2 SER A 882 14.555 -12.685 -16.506 1.00 0.00 H new ATOM 0 HB3 SER A 882 13.760 -11.180 -16.091 1.00 0.00 H new ATOM 0 HG SER A 882 15.841 -11.380 -15.085 1.00 0.00 H new ATOM 1504 N GLY A 883 14.183 -14.246 -13.511 1.00 0.00 N ATOM 1505 CA GLY A 883 14.692 -15.479 -12.941 1.00 0.00 C ATOM 1506 C GLY A 883 16.206 -15.553 -12.976 1.00 0.00 C ATOM 1507 O GLY A 883 16.877 -15.141 -12.030 1.00 0.00 O ATOM 0 H GLY A 883 14.466 -13.398 -13.020 1.00 0.00 H new ATOM 0 HA2 GLY A 883 14.351 -15.567 -11.909 1.00 0.00 H new ATOM 0 HA3 GLY A 883 14.277 -16.326 -13.487 1.00 0.00 H new TER 1511 GLY A 883