USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 629 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 835 ASN : amide:sc= 0.533 K(o=1.3,f=0.034) USER MOD Set 1.2: A 838 LYS NZ :NH3+ -148:sc= 0.772 (180deg=0.474) USER MOD Set 2.1: A 782 THR OG1 : rot -72:sc= 1.25 USER MOD Set 2.2: A 850 ASN : amide:sc= -1.67 K(o=-0.42,f=-4.9) USER MOD Single : A 777 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 779 SER OG : rot 41:sc= 0.043 USER MOD Single : A 787 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 ASN : amide:sc= -7.42! C(o=-7.4!,f=-7.1!) USER MOD Single : A 796 MET CE :methyl -111:sc= -2.37 (180deg=-4.49!) USER MOD Single : A 799 ASN : amide:sc= -1.57! C(o=-1.6!,f=-5.7!) USER MOD Single : A 800 SER OG : rot 76:sc= 0.575 USER MOD Single : A 801 LYS NZ :NH3+ 166:sc=-0.000594 (180deg=-0.0994) USER MOD Single : A 803 SER OG : rot 150:sc= 0 USER MOD Single : A 804 ASN : amide:sc= 0 X(o=0,f=0.044) USER MOD Single : A 805 THR OG1 : rot -14:sc= 0.265! USER MOD Single : A 806 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.33) USER MOD Single : A 807 ASN : amide:sc= -0.041 X(o=-0.041,f=0) USER MOD Single : A 808 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.6!) USER MOD Single : A 809 ASN : amide:sc= 0.18 K(o=0.18,f=-0.94) USER MOD Single : A 811 SER OG : rot 180:sc= 0 USER MOD Single : A 814 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 817 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 TYR OH : rot 149:sc= 0.239 USER MOD Single : A 819 GLN : amide:sc= -0.562 X(o=-0.56,f=-0.27) USER MOD Single : A 830 SER OG : rot -63:sc= 1.19 USER MOD Single : A 840 MET CE :methyl -141:sc= 0 (180deg=-0.145) USER MOD Single : A 844 ASN : amide:sc= -0.452 X(o=-0.45,f=-0.45) USER MOD Single : A 845 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 854 TYR OH : rot 82:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 775 -2.054 12.960 1.398 1.00 9.10 N ATOM 2 CA GLY A 775 -2.171 14.258 2.115 1.00 8.80 C ATOM 3 C GLY A 775 -3.303 14.260 3.124 1.00 8.11 C ATOM 4 O GLY A 775 -3.090 13.984 4.305 1.00 8.12 O ATOM 0 HA2 GLY A 775 -1.232 14.474 2.625 1.00 8.80 H new ATOM 0 HA3 GLY A 775 -2.332 15.057 1.391 1.00 8.80 H new ATOM 10 N ALA A 776 -4.509 14.574 2.659 1.00 7.81 N ATOM 11 CA ALA A 776 -5.678 14.612 3.529 1.00 7.43 C ATOM 12 C ALA A 776 -6.430 13.285 3.498 1.00 6.66 C ATOM 13 O ALA A 776 -6.755 12.720 4.544 1.00 6.79 O ATOM 14 CB ALA A 776 -6.600 15.752 3.126 1.00 8.12 C ATOM 0 H ALA A 776 -4.701 14.806 1.684 1.00 7.81 H new ATOM 0 HA ALA A 776 -5.334 14.781 4.549 1.00 7.43 H new ATOM 0 HB1 ALA A 776 -7.468 15.768 3.785 1.00 8.12 H new ATOM 0 HB2 ALA A 776 -6.066 16.698 3.208 1.00 8.12 H new ATOM 0 HB3 ALA A 776 -6.928 15.608 2.096 1.00 8.12 H new ATOM 20 N MET A 777 -6.702 12.791 2.292 1.00 6.18 N ATOM 21 CA MET A 777 -7.415 11.529 2.127 1.00 5.71 C ATOM 22 C MET A 777 -6.435 10.372 1.976 1.00 5.06 C ATOM 23 O MET A 777 -5.843 10.180 0.914 1.00 5.55 O ATOM 24 CB MET A 777 -8.339 11.591 0.909 1.00 6.17 C ATOM 25 CG MET A 777 -9.732 11.049 1.177 1.00 6.70 C ATOM 26 SD MET A 777 -10.226 9.783 -0.007 1.00 7.49 S ATOM 27 CE MET A 777 -11.447 10.672 -0.969 1.00 8.34 C ATOM 0 H MET A 777 -6.440 13.245 1.417 1.00 6.18 H new ATOM 0 HA MET A 777 -8.018 11.362 3.020 1.00 5.71 H new ATOM 0 HB2 MET A 777 -8.418 12.626 0.575 1.00 6.17 H new ATOM 0 HB3 MET A 777 -7.889 11.026 0.092 1.00 6.17 H new ATOM 0 HG2 MET A 777 -9.768 10.633 2.184 1.00 6.70 H new ATOM 0 HG3 MET A 777 -10.449 11.870 1.146 1.00 6.70 H new ATOM 0 HE1 MET A 777 -11.846 10.018 -1.745 1.00 8.34 H new ATOM 0 HE2 MET A 777 -12.258 10.997 -0.317 1.00 8.34 H new ATOM 0 HE3 MET A 777 -10.982 11.542 -1.432 1.00 8.34 H new ATOM 37 N GLY A 778 -6.271 9.603 3.047 1.00 4.25 N ATOM 38 CA GLY A 778 -5.364 8.473 3.019 1.00 3.79 C ATOM 39 C GLY A 778 -5.205 7.826 4.380 1.00 2.65 C ATOM 40 O GLY A 778 -4.976 8.512 5.376 1.00 2.91 O ATOM 0 H GLY A 778 -6.752 9.743 3.936 1.00 4.25 H new ATOM 0 HA2 GLY A 778 -5.732 7.733 2.309 1.00 3.79 H new ATOM 0 HA3 GLY A 778 -4.389 8.802 2.660 1.00 3.79 H new ATOM 44 N SER A 779 -5.330 6.504 4.422 1.00 1.98 N ATOM 45 CA SER A 779 -5.201 5.765 5.671 1.00 1.35 C ATOM 46 C SER A 779 -4.802 4.318 5.407 1.00 1.02 C ATOM 47 O SER A 779 -4.148 3.683 6.235 1.00 1.06 O ATOM 48 CB SER A 779 -6.517 5.810 6.454 1.00 2.12 C ATOM 49 OG SER A 779 -6.452 6.756 7.505 1.00 2.61 O ATOM 0 H SER A 779 -5.520 5.923 3.606 1.00 1.98 H new ATOM 0 HA SER A 779 -4.418 6.237 6.264 1.00 1.35 H new ATOM 0 HB2 SER A 779 -7.336 6.065 5.781 1.00 2.12 H new ATOM 0 HB3 SER A 779 -6.735 4.823 6.862 1.00 2.12 H new ATOM 0 HG SER A 779 -5.993 7.563 7.191 1.00 2.61 H new ATOM 55 N ILE A 780 -5.203 3.799 4.249 1.00 0.79 N ATOM 56 CA ILE A 780 -4.889 2.425 3.874 1.00 0.51 C ATOM 57 C ILE A 780 -4.517 2.336 2.397 1.00 0.46 C ATOM 58 O ILE A 780 -4.423 3.351 1.708 1.00 0.53 O ATOM 59 CB ILE A 780 -6.068 1.471 4.149 1.00 0.43 C ATOM 60 CG1 ILE A 780 -7.166 2.188 4.935 1.00 0.64 C ATOM 61 CG2 ILE A 780 -5.588 0.243 4.906 1.00 0.58 C ATOM 62 CD1 ILE A 780 -8.466 1.415 5.004 1.00 1.22 C ATOM 0 H ILE A 780 -5.747 4.311 3.554 1.00 0.79 H new ATOM 0 HA ILE A 780 -4.041 2.120 4.487 1.00 0.51 H new ATOM 0 HB ILE A 780 -6.483 1.150 3.194 1.00 0.43 H new ATOM 0 HG12 ILE A 780 -6.811 2.377 5.948 1.00 0.64 H new ATOM 0 HG13 ILE A 780 -7.354 3.159 4.477 1.00 0.64 H new ATOM 0 HG21 ILE A 780 -6.431 -0.422 5.093 1.00 0.58 H new ATOM 0 HG22 ILE A 780 -4.838 -0.280 4.313 1.00 0.58 H new ATOM 0 HG23 ILE A 780 -5.150 0.549 5.856 1.00 0.58 H new ATOM 0 HD11 ILE A 780 -9.198 1.985 5.577 1.00 1.22 H new ATOM 0 HD12 ILE A 780 -8.844 1.248 3.995 1.00 1.22 H new ATOM 0 HD13 ILE A 780 -8.293 0.455 5.490 1.00 1.22 H new ATOM 74 N PHE A 781 -4.315 1.112 1.913 1.00 0.39 N ATOM 75 CA PHE A 781 -3.962 0.889 0.522 1.00 0.36 C ATOM 76 C PHE A 781 -4.481 -0.472 0.075 1.00 0.30 C ATOM 77 O PHE A 781 -3.795 -1.484 0.203 1.00 0.35 O ATOM 78 CB PHE A 781 -2.444 0.971 0.337 1.00 0.41 C ATOM 79 CG PHE A 781 -2.000 1.981 -0.689 1.00 0.45 C ATOM 80 CD1 PHE A 781 -2.689 3.173 -0.864 1.00 0.73 C ATOM 81 CD2 PHE A 781 -0.887 1.734 -1.479 1.00 0.81 C ATOM 82 CE1 PHE A 781 -2.276 4.098 -1.806 1.00 0.80 C ATOM 83 CE2 PHE A 781 -0.470 2.656 -2.420 1.00 0.94 C ATOM 84 CZ PHE A 781 -1.166 3.838 -2.585 1.00 0.73 C ATOM 0 H PHE A 781 -4.391 0.261 2.469 1.00 0.39 H new ATOM 0 HA PHE A 781 -4.422 1.664 -0.092 1.00 0.36 H new ATOM 0 HB2 PHE A 781 -1.985 1.217 1.295 1.00 0.41 H new ATOM 0 HB3 PHE A 781 -2.071 -0.012 0.048 1.00 0.41 H new ATOM 0 HD1 PHE A 781 -3.558 3.381 -0.257 1.00 0.73 H new ATOM 0 HD2 PHE A 781 -0.340 0.811 -1.357 1.00 0.81 H new ATOM 0 HE1 PHE A 781 -2.821 5.022 -1.932 1.00 0.80 H new ATOM 0 HE2 PHE A 781 0.400 2.453 -3.027 1.00 0.94 H new ATOM 0 HZ PHE A 781 -0.842 4.558 -3.322 1.00 0.73 H new ATOM 94 N THR A 782 -5.706 -0.485 -0.430 1.00 0.28 N ATOM 95 CA THR A 782 -6.334 -1.722 -0.877 1.00 0.29 C ATOM 96 C THR A 782 -6.208 -1.898 -2.383 1.00 0.35 C ATOM 97 O THR A 782 -6.831 -1.175 -3.162 1.00 0.52 O ATOM 98 CB THR A 782 -7.827 -1.757 -0.497 1.00 0.41 C ATOM 99 OG1 THR A 782 -8.155 -0.617 0.307 1.00 0.67 O ATOM 100 CG2 THR A 782 -8.164 -3.030 0.263 1.00 0.44 C ATOM 0 H THR A 782 -6.286 0.347 -0.541 1.00 0.28 H new ATOM 0 HA THR A 782 -5.812 -2.537 -0.376 1.00 0.29 H new ATOM 0 HB THR A 782 -8.412 -1.736 -1.416 1.00 0.41 H new ATOM 0 HG1 THR A 782 -7.760 -0.720 1.198 1.00 0.67 H new ATOM 0 HG21 THR A 782 -9.223 -3.031 0.520 1.00 0.44 H new ATOM 0 HG22 THR A 782 -7.941 -3.896 -0.361 1.00 0.44 H new ATOM 0 HG23 THR A 782 -7.569 -3.077 1.175 1.00 0.44 H new ATOM 108 N LEU A 783 -5.400 -2.874 -2.786 1.00 0.40 N ATOM 109 CA LEU A 783 -5.186 -3.162 -4.200 1.00 0.56 C ATOM 110 C LEU A 783 -5.818 -4.495 -4.577 1.00 0.58 C ATOM 111 O LEU A 783 -6.584 -5.070 -3.806 1.00 0.99 O ATOM 112 CB LEU A 783 -3.691 -3.194 -4.527 1.00 0.67 C ATOM 113 CG LEU A 783 -2.771 -2.620 -3.449 1.00 0.94 C ATOM 114 CD1 LEU A 783 -1.483 -3.423 -3.368 1.00 1.57 C ATOM 115 CD2 LEU A 783 -2.473 -1.156 -3.736 1.00 1.53 C ATOM 0 H LEU A 783 -4.881 -3.480 -2.151 1.00 0.40 H new ATOM 0 HA LEU A 783 -5.658 -2.367 -4.778 1.00 0.56 H new ATOM 0 HB2 LEU A 783 -3.400 -4.227 -4.716 1.00 0.67 H new ATOM 0 HB3 LEU A 783 -3.527 -2.642 -5.452 1.00 0.67 H new ATOM 0 HG LEU A 783 -3.277 -2.687 -2.486 1.00 0.94 H new ATOM 0 HD11 LEU A 783 -0.839 -3.001 -2.596 1.00 1.57 H new ATOM 0 HD12 LEU A 783 -1.715 -4.459 -3.121 1.00 1.57 H new ATOM 0 HD13 LEU A 783 -0.970 -3.385 -4.329 1.00 1.57 H new ATOM 0 HD21 LEU A 783 -1.817 -0.759 -2.961 1.00 1.53 H new ATOM 0 HD22 LEU A 783 -1.983 -1.068 -4.706 1.00 1.53 H new ATOM 0 HD23 LEU A 783 -3.405 -0.590 -3.747 1.00 1.53 H new ATOM 127 N LEU A 784 -5.478 -4.986 -5.761 1.00 0.27 N ATOM 128 CA LEU A 784 -5.999 -6.259 -6.239 1.00 0.26 C ATOM 129 C LEU A 784 -4.877 -7.289 -6.323 1.00 0.23 C ATOM 130 O LEU A 784 -3.991 -7.188 -7.173 1.00 0.29 O ATOM 131 CB LEU A 784 -6.682 -6.076 -7.592 1.00 0.31 C ATOM 132 CG LEU A 784 -6.627 -7.279 -8.539 1.00 0.51 C ATOM 133 CD1 LEU A 784 -7.855 -8.155 -8.358 1.00 0.81 C ATOM 134 CD2 LEU A 784 -6.510 -6.813 -9.981 1.00 0.75 C ATOM 0 H LEU A 784 -4.842 -4.521 -6.409 1.00 0.27 H new ATOM 0 HA LEU A 784 -6.743 -6.626 -5.533 1.00 0.26 H new ATOM 0 HB2 LEU A 784 -7.728 -5.823 -7.418 1.00 0.31 H new ATOM 0 HB3 LEU A 784 -6.227 -5.222 -8.094 1.00 0.31 H new ATOM 0 HG LEU A 784 -5.745 -7.871 -8.296 1.00 0.51 H new ATOM 0 HD11 LEU A 784 -7.799 -9.005 -9.038 1.00 0.81 H new ATOM 0 HD12 LEU A 784 -7.897 -8.515 -7.330 1.00 0.81 H new ATOM 0 HD13 LEU A 784 -8.751 -7.574 -8.575 1.00 0.81 H new ATOM 0 HD21 LEU A 784 -6.472 -7.679 -10.641 1.00 0.75 H new ATOM 0 HD22 LEU A 784 -7.374 -6.200 -10.236 1.00 0.75 H new ATOM 0 HD23 LEU A 784 -5.600 -6.225 -10.101 1.00 0.75 H new ATOM 146 N VAL A 785 -4.910 -8.266 -5.424 1.00 0.25 N ATOM 147 CA VAL A 785 -3.883 -9.301 -5.387 1.00 0.30 C ATOM 148 C VAL A 785 -4.407 -10.627 -5.930 1.00 0.34 C ATOM 149 O VAL A 785 -5.598 -10.768 -6.211 1.00 0.55 O ATOM 150 CB VAL A 785 -3.358 -9.515 -3.954 1.00 0.39 C ATOM 151 CG1 VAL A 785 -2.784 -8.218 -3.397 1.00 1.11 C ATOM 152 CG2 VAL A 785 -4.461 -10.047 -3.051 1.00 1.18 C ATOM 0 H VAL A 785 -5.635 -8.363 -4.713 1.00 0.25 H new ATOM 0 HA VAL A 785 -3.066 -8.956 -6.021 1.00 0.30 H new ATOM 0 HB VAL A 785 -2.560 -10.257 -3.988 1.00 0.39 H new ATOM 0 HG11 VAL A 785 -2.418 -8.387 -2.384 1.00 1.11 H new ATOM 0 HG12 VAL A 785 -1.961 -7.883 -4.029 1.00 1.11 H new ATOM 0 HG13 VAL A 785 -3.562 -7.454 -3.379 1.00 1.11 H new ATOM 0 HG21 VAL A 785 -4.069 -10.191 -2.044 1.00 1.18 H new ATOM 0 HG22 VAL A 785 -5.283 -9.332 -3.022 1.00 1.18 H new ATOM 0 HG23 VAL A 785 -4.822 -10.999 -3.440 1.00 1.18 H new ATOM 162 N GLU A 786 -3.504 -11.593 -6.078 1.00 0.38 N ATOM 163 CA GLU A 786 -3.868 -12.908 -6.591 1.00 0.42 C ATOM 164 C GLU A 786 -3.343 -14.014 -5.676 1.00 0.46 C ATOM 165 O GLU A 786 -2.404 -13.803 -4.907 1.00 0.48 O ATOM 166 CB GLU A 786 -3.315 -13.089 -8.008 1.00 0.43 C ATOM 167 CG GLU A 786 -4.215 -13.912 -8.914 1.00 0.56 C ATOM 168 CD GLU A 786 -4.036 -13.567 -10.379 1.00 0.75 C ATOM 169 OE1 GLU A 786 -4.683 -12.608 -10.848 1.00 1.02 O ATOM 170 OE2 GLU A 786 -3.249 -14.259 -11.060 1.00 1.40 O ATOM 0 H GLU A 786 -2.515 -11.488 -5.850 1.00 0.38 H new ATOM 0 HA GLU A 786 -4.955 -12.977 -6.620 1.00 0.42 H new ATOM 0 HB2 GLU A 786 -3.162 -12.108 -8.457 1.00 0.43 H new ATOM 0 HB3 GLU A 786 -2.338 -13.568 -7.949 1.00 0.43 H new ATOM 0 HG2 GLU A 786 -4.004 -14.971 -8.765 1.00 0.56 H new ATOM 0 HG3 GLU A 786 -5.255 -13.751 -8.631 1.00 0.56 H new ATOM 177 N LYS A 787 -3.956 -15.191 -5.765 1.00 0.51 N ATOM 178 CA LYS A 787 -3.554 -16.330 -4.946 1.00 0.57 C ATOM 179 C LYS A 787 -2.178 -16.842 -5.361 1.00 0.60 C ATOM 180 O LYS A 787 -1.583 -17.680 -4.683 1.00 1.07 O ATOM 181 CB LYS A 787 -4.583 -17.457 -5.057 1.00 0.64 C ATOM 182 CG LYS A 787 -4.824 -17.922 -6.484 1.00 1.29 C ATOM 183 CD LYS A 787 -6.298 -18.176 -6.746 1.00 1.49 C ATOM 184 CE LYS A 787 -6.556 -19.624 -7.133 1.00 2.24 C ATOM 185 NZ LYS A 787 -7.025 -19.750 -8.540 1.00 2.85 N ATOM 0 H LYS A 787 -4.734 -15.381 -6.397 1.00 0.51 H new ATOM 0 HA LYS A 787 -3.501 -15.996 -3.910 1.00 0.57 H new ATOM 0 HB2 LYS A 787 -4.247 -18.304 -4.459 1.00 0.64 H new ATOM 0 HB3 LYS A 787 -5.527 -17.119 -4.629 1.00 0.64 H new ATOM 0 HG2 LYS A 787 -4.454 -17.169 -7.180 1.00 1.29 H new ATOM 0 HG3 LYS A 787 -4.258 -18.834 -6.671 1.00 1.29 H new ATOM 0 HD2 LYS A 787 -6.875 -17.929 -5.855 1.00 1.49 H new ATOM 0 HD3 LYS A 787 -6.645 -17.518 -7.543 1.00 1.49 H new ATOM 0 HE2 LYS A 787 -5.642 -20.203 -7.002 1.00 2.24 H new ATOM 0 HE3 LYS A 787 -7.302 -20.051 -6.463 1.00 2.24 H new ATOM 0 HZ1 LYS A 787 -7.189 -20.753 -8.763 1.00 2.85 H new ATOM 0 HZ2 LYS A 787 -7.911 -19.219 -8.659 1.00 2.85 H new ATOM 0 HZ3 LYS A 787 -6.303 -19.366 -9.182 1.00 2.85 H new ATOM 199 N VAL A 788 -1.681 -16.327 -6.479 1.00 0.29 N ATOM 200 CA VAL A 788 -0.376 -16.720 -6.996 1.00 0.29 C ATOM 201 C VAL A 788 0.704 -15.747 -6.534 1.00 0.26 C ATOM 202 O VAL A 788 1.882 -16.096 -6.453 1.00 0.29 O ATOM 203 CB VAL A 788 -0.386 -16.771 -8.539 1.00 0.32 C ATOM 204 CG1 VAL A 788 -0.908 -15.463 -9.112 1.00 0.31 C ATOM 205 CG2 VAL A 788 1.001 -17.080 -9.083 1.00 0.33 C ATOM 0 H VAL A 788 -2.165 -15.632 -7.048 1.00 0.29 H new ATOM 0 HA VAL A 788 -0.156 -17.714 -6.607 1.00 0.29 H new ATOM 0 HB VAL A 788 -1.055 -17.574 -8.847 1.00 0.32 H new ATOM 0 HG11 VAL A 788 -0.908 -15.517 -10.201 1.00 0.31 H new ATOM 0 HG12 VAL A 788 -1.924 -15.290 -8.757 1.00 0.31 H new ATOM 0 HG13 VAL A 788 -0.267 -14.643 -8.789 1.00 0.31 H new ATOM 0 HG21 VAL A 788 0.966 -17.110 -10.172 1.00 0.33 H new ATOM 0 HG22 VAL A 788 1.698 -16.305 -8.764 1.00 0.33 H new ATOM 0 HG23 VAL A 788 1.334 -18.046 -8.704 1.00 0.33 H new ATOM 215 N TRP A 789 0.287 -14.522 -6.235 1.00 0.21 N ATOM 216 CA TRP A 789 1.206 -13.484 -5.788 1.00 0.18 C ATOM 217 C TRP A 789 1.954 -13.894 -4.527 1.00 0.18 C ATOM 218 O TRP A 789 1.344 -14.215 -3.507 1.00 0.19 O ATOM 219 CB TRP A 789 0.449 -12.185 -5.522 1.00 0.18 C ATOM 220 CG TRP A 789 0.130 -11.424 -6.770 1.00 0.20 C ATOM 221 CD1 TRP A 789 0.122 -11.909 -8.046 1.00 0.22 C ATOM 222 CD2 TRP A 789 -0.221 -10.042 -6.862 1.00 0.22 C ATOM 223 NE1 TRP A 789 -0.214 -10.915 -8.924 1.00 0.25 N ATOM 224 CE2 TRP A 789 -0.431 -9.755 -8.224 1.00 0.25 C ATOM 225 CE3 TRP A 789 -0.381 -9.018 -5.926 1.00 0.24 C ATOM 226 CZ2 TRP A 789 -0.791 -8.486 -8.671 1.00 0.28 C ATOM 227 CZ3 TRP A 789 -0.738 -7.759 -6.368 1.00 0.28 C ATOM 228 CH2 TRP A 789 -0.940 -7.502 -7.731 1.00 0.30 C ATOM 0 H TRP A 789 -0.686 -14.223 -6.295 1.00 0.21 H new ATOM 0 HA TRP A 789 1.934 -13.334 -6.585 1.00 0.18 H new ATOM 0 HB2 TRP A 789 -0.478 -12.413 -4.996 1.00 0.18 H new ATOM 0 HB3 TRP A 789 1.043 -11.554 -4.861 1.00 0.18 H new ATOM 0 HD1 TRP A 789 0.348 -12.928 -8.322 1.00 0.22 H new ATOM 0 HE1 TRP A 789 -0.291 -11.019 -9.936 1.00 0.25 H new ATOM 0 HE3 TRP A 789 -0.228 -9.207 -4.874 1.00 0.24 H new ATOM 0 HZ2 TRP A 789 -0.947 -8.286 -9.721 1.00 0.28 H new ATOM 0 HZ3 TRP A 789 -0.863 -6.960 -5.652 1.00 0.28 H new ATOM 0 HH2 TRP A 789 -1.219 -6.507 -8.046 1.00 0.30 H new ATOM 239 N ASN A 790 3.277 -13.848 -4.597 1.00 0.18 N ATOM 240 CA ASN A 790 4.114 -14.180 -3.455 1.00 0.20 C ATOM 241 C ASN A 790 4.538 -12.891 -2.762 1.00 0.18 C ATOM 242 O ASN A 790 4.444 -11.818 -3.354 1.00 0.20 O ATOM 243 CB ASN A 790 5.327 -15.003 -3.900 1.00 0.24 C ATOM 244 CG ASN A 790 6.574 -14.170 -4.109 1.00 0.93 C ATOM 245 OD1 ASN A 790 7.457 -14.128 -3.253 1.00 1.89 O ATOM 246 ND2 ASN A 790 6.656 -13.516 -5.262 1.00 0.77 N ATOM 0 H ASN A 790 3.794 -13.583 -5.435 1.00 0.18 H new ATOM 0 HA ASN A 790 3.552 -14.791 -2.749 1.00 0.20 H new ATOM 0 HB2 ASN A 790 5.532 -15.769 -3.152 1.00 0.24 H new ATOM 0 HB3 ASN A 790 5.085 -15.521 -4.828 1.00 0.24 H new ATOM 0 HD21 ASN A 790 7.477 -12.948 -5.469 1.00 0.77 H new ATOM 0 HD22 ASN A 790 5.898 -13.582 -5.941 1.00 0.77 H new ATOM 253 N PHE A 791 4.975 -12.989 -1.510 1.00 0.20 N ATOM 254 CA PHE A 791 5.381 -11.803 -0.752 1.00 0.20 C ATOM 255 C PHE A 791 6.243 -10.878 -1.600 1.00 0.16 C ATOM 256 O PHE A 791 6.180 -9.657 -1.464 1.00 0.17 O ATOM 257 CB PHE A 791 6.131 -12.208 0.520 1.00 0.26 C ATOM 258 CG PHE A 791 6.668 -11.041 1.300 1.00 0.35 C ATOM 259 CD1 PHE A 791 5.807 -10.104 1.848 1.00 0.44 C ATOM 260 CD2 PHE A 791 8.032 -10.884 1.488 1.00 0.47 C ATOM 261 CE1 PHE A 791 6.295 -9.030 2.568 1.00 0.57 C ATOM 262 CE2 PHE A 791 8.527 -9.812 2.207 1.00 0.59 C ATOM 263 CZ PHE A 791 7.662 -8.881 2.740 1.00 0.63 C ATOM 0 H PHE A 791 5.058 -13.868 -1.000 1.00 0.20 H new ATOM 0 HA PHE A 791 4.478 -11.262 -0.469 1.00 0.20 H new ATOM 0 HB2 PHE A 791 5.461 -12.784 1.159 1.00 0.26 H new ATOM 0 HB3 PHE A 791 6.958 -12.865 0.250 1.00 0.26 H new ATOM 0 HD1 PHE A 791 4.741 -10.214 1.711 1.00 0.44 H new ATOM 0 HD2 PHE A 791 8.716 -11.607 1.068 1.00 0.47 H new ATOM 0 HE1 PHE A 791 5.613 -8.309 2.995 1.00 0.57 H new ATOM 0 HE2 PHE A 791 9.592 -9.704 2.351 1.00 0.59 H new ATOM 0 HZ PHE A 791 8.049 -8.036 3.291 1.00 0.63 H new ATOM 273 N ASP A 792 7.030 -11.464 -2.491 1.00 0.17 N ATOM 274 CA ASP A 792 7.881 -10.686 -3.376 1.00 0.17 C ATOM 275 C ASP A 792 7.022 -9.938 -4.386 1.00 0.16 C ATOM 276 O ASP A 792 7.100 -8.715 -4.488 1.00 0.19 O ATOM 277 CB ASP A 792 8.874 -11.593 -4.100 1.00 0.22 C ATOM 278 CG ASP A 792 9.931 -10.812 -4.855 1.00 1.17 C ATOM 279 OD1 ASP A 792 10.682 -10.051 -4.209 1.00 1.47 O ATOM 280 OD2 ASP A 792 10.009 -10.962 -6.092 1.00 2.05 O ATOM 0 H ASP A 792 7.096 -12.474 -2.619 1.00 0.17 H new ATOM 0 HA ASP A 792 8.444 -9.967 -2.780 1.00 0.17 H new ATOM 0 HB2 ASP A 792 9.359 -12.247 -3.375 1.00 0.22 H new ATOM 0 HB3 ASP A 792 8.334 -12.234 -4.797 1.00 0.22 H new ATOM 285 N ASP A 793 6.185 -10.678 -5.114 1.00 0.17 N ATOM 286 CA ASP A 793 5.297 -10.075 -6.101 1.00 0.18 C ATOM 287 C ASP A 793 4.383 -9.054 -5.436 1.00 0.17 C ATOM 288 O ASP A 793 3.881 -8.132 -6.081 1.00 0.24 O ATOM 289 CB ASP A 793 4.464 -11.151 -6.799 1.00 0.19 C ATOM 290 CG ASP A 793 5.053 -11.567 -8.133 1.00 0.56 C ATOM 291 OD1 ASP A 793 6.274 -11.824 -8.190 1.00 1.04 O ATOM 292 OD2 ASP A 793 4.292 -11.636 -9.122 1.00 1.07 O ATOM 0 H ASP A 793 6.105 -11.692 -5.037 1.00 0.17 H new ATOM 0 HA ASP A 793 5.906 -9.567 -6.848 1.00 0.18 H new ATOM 0 HB2 ASP A 793 4.388 -12.024 -6.151 1.00 0.19 H new ATOM 0 HB3 ASP A 793 3.451 -10.779 -6.953 1.00 0.19 H new ATOM 297 N LEU A 794 4.182 -9.225 -4.133 1.00 0.14 N ATOM 298 CA LEU A 794 3.341 -8.321 -3.358 1.00 0.15 C ATOM 299 C LEU A 794 4.057 -6.998 -3.128 1.00 0.15 C ATOM 300 O LEU A 794 3.531 -5.930 -3.438 1.00 0.17 O ATOM 301 CB LEU A 794 2.980 -8.949 -2.008 1.00 0.19 C ATOM 302 CG LEU A 794 1.962 -8.164 -1.181 1.00 0.26 C ATOM 303 CD1 LEU A 794 0.663 -7.983 -1.954 1.00 0.93 C ATOM 304 CD2 LEU A 794 1.705 -8.858 0.149 1.00 0.70 C ATOM 0 H LEU A 794 4.592 -9.985 -3.590 1.00 0.14 H new ATOM 0 HA LEU A 794 2.426 -8.140 -3.922 1.00 0.15 H new ATOM 0 HB2 LEU A 794 2.588 -9.951 -2.184 1.00 0.19 H new ATOM 0 HB3 LEU A 794 3.892 -9.062 -1.422 1.00 0.19 H new ATOM 0 HG LEU A 794 2.376 -7.176 -0.978 1.00 0.26 H new ATOM 0 HD11 LEU A 794 -0.047 -7.422 -1.346 1.00 0.93 H new ATOM 0 HD12 LEU A 794 0.862 -7.438 -2.877 1.00 0.93 H new ATOM 0 HD13 LEU A 794 0.243 -8.960 -2.193 1.00 0.93 H new ATOM 0 HD21 LEU A 794 0.978 -8.285 0.724 1.00 0.70 H new ATOM 0 HD22 LEU A 794 1.316 -9.860 -0.033 1.00 0.70 H new ATOM 0 HD23 LEU A 794 2.637 -8.927 0.709 1.00 0.70 H new ATOM 316 N ILE A 795 5.262 -7.086 -2.574 1.00 0.19 N ATOM 317 CA ILE A 795 6.063 -5.904 -2.289 1.00 0.22 C ATOM 318 C ILE A 795 6.313 -5.076 -3.543 1.00 0.21 C ATOM 319 O ILE A 795 6.420 -3.858 -3.469 1.00 0.23 O ATOM 320 CB ILE A 795 7.404 -6.287 -1.640 1.00 0.26 C ATOM 321 CG1 ILE A 795 7.171 -6.884 -0.248 1.00 0.30 C ATOM 322 CG2 ILE A 795 8.335 -5.081 -1.555 1.00 0.28 C ATOM 323 CD1 ILE A 795 6.423 -5.962 0.694 1.00 0.32 C ATOM 0 H ILE A 795 5.705 -7.967 -2.313 1.00 0.19 H new ATOM 0 HA ILE A 795 5.492 -5.296 -1.587 1.00 0.22 H new ATOM 0 HB ILE A 795 7.883 -7.039 -2.267 1.00 0.26 H new ATOM 0 HG12 ILE A 795 6.613 -7.815 -0.350 1.00 0.30 H new ATOM 0 HG13 ILE A 795 8.134 -7.137 0.195 1.00 0.30 H new ATOM 0 HG21 ILE A 795 9.276 -5.379 -1.092 1.00 0.28 H new ATOM 0 HG22 ILE A 795 8.529 -4.699 -2.558 1.00 0.28 H new ATOM 0 HG23 ILE A 795 7.867 -4.301 -0.954 1.00 0.28 H new ATOM 0 HD11 ILE A 795 6.296 -6.453 1.659 1.00 0.32 H new ATOM 0 HD12 ILE A 795 6.990 -5.041 0.828 1.00 0.32 H new ATOM 0 HD13 ILE A 795 5.445 -5.728 0.274 1.00 0.32 H new ATOM 335 N MET A 796 6.396 -5.731 -4.698 1.00 0.23 N ATOM 336 CA MET A 796 6.625 -5.018 -5.951 1.00 0.26 C ATOM 337 C MET A 796 5.412 -4.170 -6.309 1.00 0.23 C ATOM 338 O MET A 796 5.543 -2.980 -6.594 1.00 0.22 O ATOM 339 CB MET A 796 6.923 -5.996 -7.091 1.00 0.36 C ATOM 340 CG MET A 796 7.936 -7.069 -6.734 1.00 0.46 C ATOM 341 SD MET A 796 8.637 -7.872 -8.189 1.00 0.67 S ATOM 342 CE MET A 796 7.186 -8.690 -8.854 1.00 1.53 C ATOM 0 H MET A 796 6.309 -6.743 -4.792 1.00 0.23 H new ATOM 0 HA MET A 796 7.489 -4.368 -5.813 1.00 0.26 H new ATOM 0 HB2 MET A 796 5.993 -6.476 -7.397 1.00 0.36 H new ATOM 0 HB3 MET A 796 7.290 -5.435 -7.951 1.00 0.36 H new ATOM 0 HG2 MET A 796 8.739 -6.624 -6.147 1.00 0.46 H new ATOM 0 HG3 MET A 796 7.458 -7.819 -6.104 1.00 0.46 H new ATOM 0 HE1 MET A 796 7.292 -9.769 -8.740 1.00 1.53 H new ATOM 0 HE2 MET A 796 6.300 -8.354 -8.315 1.00 1.53 H new ATOM 0 HE3 MET A 796 7.083 -8.445 -9.911 1.00 1.53 H new ATOM 352 N ALA A 797 4.232 -4.785 -6.282 1.00 0.26 N ATOM 353 CA ALA A 797 2.998 -4.073 -6.594 1.00 0.30 C ATOM 354 C ALA A 797 2.868 -2.843 -5.706 1.00 0.28 C ATOM 355 O ALA A 797 2.680 -1.725 -6.192 1.00 0.30 O ATOM 356 CB ALA A 797 1.795 -4.988 -6.418 1.00 0.38 C ATOM 0 H ALA A 797 4.106 -5.770 -6.048 1.00 0.26 H new ATOM 0 HA ALA A 797 3.032 -3.752 -7.635 1.00 0.30 H new ATOM 0 HB1 ALA A 797 0.883 -4.440 -6.655 1.00 0.38 H new ATOM 0 HB2 ALA A 797 1.888 -5.844 -7.086 1.00 0.38 H new ATOM 0 HB3 ALA A 797 1.751 -5.337 -5.386 1.00 0.38 H new ATOM 362 N ILE A 798 2.987 -3.059 -4.400 1.00 0.27 N ATOM 363 CA ILE A 798 2.904 -1.977 -3.432 1.00 0.31 C ATOM 364 C ILE A 798 3.972 -0.928 -3.708 1.00 0.29 C ATOM 365 O ILE A 798 3.682 0.265 -3.798 1.00 0.33 O ATOM 366 CB ILE A 798 3.084 -2.500 -2.000 1.00 0.35 C ATOM 367 CG1 ILE A 798 1.911 -3.403 -1.613 1.00 0.40 C ATOM 368 CG2 ILE A 798 3.227 -1.336 -1.027 1.00 0.42 C ATOM 369 CD1 ILE A 798 2.025 -3.990 -0.222 1.00 0.50 C ATOM 0 H ILE A 798 3.142 -3.979 -3.988 1.00 0.27 H new ATOM 0 HA ILE A 798 1.915 -1.530 -3.529 1.00 0.31 H new ATOM 0 HB ILE A 798 3.997 -3.094 -1.952 1.00 0.35 H new ATOM 0 HG12 ILE A 798 0.986 -2.830 -1.681 1.00 0.40 H new ATOM 0 HG13 ILE A 798 1.837 -4.216 -2.335 1.00 0.40 H new ATOM 0 HG21 ILE A 798 3.354 -1.721 -0.015 1.00 0.42 H new ATOM 0 HG22 ILE A 798 4.097 -0.739 -1.300 1.00 0.42 H new ATOM 0 HG23 ILE A 798 2.332 -0.715 -1.069 1.00 0.42 H new ATOM 0 HD11 ILE A 798 1.157 -4.618 -0.020 1.00 0.50 H new ATOM 0 HD12 ILE A 798 2.932 -4.591 -0.154 1.00 0.50 H new ATOM 0 HD13 ILE A 798 2.068 -3.184 0.511 1.00 0.50 H new ATOM 381 N ASN A 799 5.210 -1.389 -3.833 1.00 0.25 N ATOM 382 CA ASN A 799 6.339 -0.507 -4.093 1.00 0.29 C ATOM 383 C ASN A 799 6.124 0.303 -5.367 1.00 0.27 C ATOM 384 O ASN A 799 6.697 1.378 -5.536 1.00 0.36 O ATOM 385 CB ASN A 799 7.631 -1.313 -4.204 1.00 0.30 C ATOM 386 CG ASN A 799 8.767 -0.696 -3.413 1.00 0.38 C ATOM 387 OD1 ASN A 799 9.241 0.394 -3.731 1.00 0.81 O ATOM 388 ND2 ASN A 799 9.210 -1.393 -2.371 1.00 0.78 N ATOM 0 H ASN A 799 5.458 -2.376 -3.758 1.00 0.25 H new ATOM 0 HA ASN A 799 6.420 0.185 -3.255 1.00 0.29 H new ATOM 0 HB2 ASN A 799 7.454 -2.328 -3.849 1.00 0.30 H new ATOM 0 HB3 ASN A 799 7.920 -1.388 -5.252 1.00 0.30 H new ATOM 0 HD21 ASN A 799 9.972 -1.028 -1.800 1.00 0.78 H new ATOM 0 HD22 ASN A 799 8.788 -2.293 -2.143 1.00 0.78 H new ATOM 395 N SER A 800 5.296 -0.224 -6.262 1.00 0.22 N ATOM 396 CA SER A 800 5.004 0.450 -7.522 1.00 0.25 C ATOM 397 C SER A 800 3.972 1.553 -7.315 1.00 0.28 C ATOM 398 O SER A 800 3.932 2.529 -8.064 1.00 0.33 O ATOM 399 CB SER A 800 4.494 -0.558 -8.553 1.00 0.28 C ATOM 400 OG SER A 800 5.544 -1.387 -9.018 1.00 0.98 O ATOM 0 H SER A 800 4.815 -1.115 -6.139 1.00 0.22 H new ATOM 0 HA SER A 800 5.924 0.902 -7.892 1.00 0.25 H new ATOM 0 HB2 SER A 800 3.711 -1.172 -8.109 1.00 0.28 H new ATOM 0 HB3 SER A 800 4.045 -0.028 -9.393 1.00 0.28 H new ATOM 0 HG SER A 800 5.755 -2.060 -8.338 1.00 0.98 H new ATOM 406 N LYS A 801 3.138 1.389 -6.293 1.00 0.30 N ATOM 407 CA LYS A 801 2.104 2.369 -5.985 1.00 0.37 C ATOM 408 C LYS A 801 2.544 3.300 -4.855 1.00 0.40 C ATOM 409 O LYS A 801 1.831 4.241 -4.504 1.00 0.49 O ATOM 410 CB LYS A 801 0.802 1.663 -5.601 1.00 0.42 C ATOM 411 CG LYS A 801 -0.368 2.007 -6.511 1.00 0.67 C ATOM 412 CD LYS A 801 -0.385 1.131 -7.754 1.00 1.05 C ATOM 413 CE LYS A 801 -1.765 0.544 -8.004 1.00 1.43 C ATOM 414 NZ LYS A 801 -2.799 1.602 -8.182 1.00 2.25 N ATOM 0 H LYS A 801 3.159 0.586 -5.664 1.00 0.30 H new ATOM 0 HA LYS A 801 1.936 2.971 -6.878 1.00 0.37 H new ATOM 0 HB2 LYS A 801 0.963 0.585 -5.622 1.00 0.42 H new ATOM 0 HB3 LYS A 801 0.544 1.927 -4.575 1.00 0.42 H new ATOM 0 HG2 LYS A 801 -1.303 1.883 -5.965 1.00 0.67 H new ATOM 0 HG3 LYS A 801 -0.306 3.055 -6.804 1.00 0.67 H new ATOM 0 HD2 LYS A 801 -0.077 1.719 -8.619 1.00 1.05 H new ATOM 0 HD3 LYS A 801 0.340 0.324 -7.642 1.00 1.05 H new ATOM 0 HE2 LYS A 801 -1.735 -0.086 -8.893 1.00 1.43 H new ATOM 0 HE3 LYS A 801 -2.043 -0.097 -7.168 1.00 1.43 H new ATOM 0 HZ1 LYS A 801 -3.662 1.180 -8.580 1.00 2.25 H new ATOM 0 HZ2 LYS A 801 -3.017 2.033 -7.261 1.00 2.25 H new ATOM 0 HZ3 LYS A 801 -2.440 2.332 -8.830 1.00 2.25 H new ATOM 428 N ILE A 802 3.719 3.034 -4.289 1.00 0.39 N ATOM 429 CA ILE A 802 4.245 3.853 -3.200 1.00 0.45 C ATOM 430 C ILE A 802 5.543 4.549 -3.602 1.00 0.50 C ATOM 431 O ILE A 802 5.892 5.595 -3.055 1.00 0.60 O ATOM 432 CB ILE A 802 4.497 3.016 -1.929 1.00 0.47 C ATOM 433 CG1 ILE A 802 5.619 2.009 -2.159 1.00 0.42 C ATOM 434 CG2 ILE A 802 3.224 2.310 -1.492 1.00 0.49 C ATOM 435 CD1 ILE A 802 6.682 2.032 -1.083 1.00 0.75 C ATOM 0 H ILE A 802 4.323 2.260 -4.565 1.00 0.39 H new ATOM 0 HA ILE A 802 3.486 4.605 -2.985 1.00 0.45 H new ATOM 0 HB ILE A 802 4.805 3.692 -1.131 1.00 0.47 H new ATOM 0 HG12 ILE A 802 5.192 1.008 -2.215 1.00 0.42 H new ATOM 0 HG13 ILE A 802 6.085 2.211 -3.123 1.00 0.42 H new ATOM 0 HG21 ILE A 802 3.422 1.725 -0.594 1.00 0.49 H new ATOM 0 HG22 ILE A 802 2.452 3.050 -1.280 1.00 0.49 H new ATOM 0 HG23 ILE A 802 2.883 1.648 -2.288 1.00 0.49 H new ATOM 0 HD11 ILE A 802 7.448 1.291 -1.312 1.00 0.75 H new ATOM 0 HD12 ILE A 802 7.136 3.022 -1.042 1.00 0.75 H new ATOM 0 HD13 ILE A 802 6.229 1.800 -0.119 1.00 0.75 H new ATOM 447 N SER A 803 6.256 3.961 -4.557 1.00 0.45 N ATOM 448 CA SER A 803 7.517 4.527 -5.026 1.00 0.53 C ATOM 449 C SER A 803 7.782 4.150 -6.481 1.00 0.61 C ATOM 450 O SER A 803 8.540 3.222 -6.765 1.00 1.19 O ATOM 451 CB SER A 803 8.672 4.044 -4.144 1.00 0.60 C ATOM 452 OG SER A 803 9.619 5.076 -3.932 1.00 1.53 O ATOM 0 H SER A 803 5.983 3.094 -5.021 1.00 0.45 H new ATOM 0 HA SER A 803 7.444 5.613 -4.962 1.00 0.53 H new ATOM 0 HB2 SER A 803 8.283 3.701 -3.185 1.00 0.60 H new ATOM 0 HB3 SER A 803 9.160 3.190 -4.614 1.00 0.60 H new ATOM 0 HG SER A 803 10.045 4.954 -3.058 1.00 1.53 H new ATOM 458 N ASN A 804 7.155 4.879 -7.402 1.00 0.84 N ATOM 459 CA ASN A 804 7.327 4.624 -8.830 1.00 0.93 C ATOM 460 C ASN A 804 6.686 5.725 -9.668 1.00 1.53 C ATOM 461 O ASN A 804 7.046 5.922 -10.829 1.00 2.42 O ATOM 462 CB ASN A 804 6.725 3.269 -9.206 1.00 1.40 C ATOM 463 CG ASN A 804 7.636 2.466 -10.115 1.00 2.04 C ATOM 464 OD1 ASN A 804 8.734 2.071 -9.721 1.00 2.43 O ATOM 465 ND2 ASN A 804 7.184 2.221 -11.339 1.00 2.83 N ATOM 0 H ASN A 804 6.524 5.650 -7.185 1.00 0.84 H new ATOM 0 HA ASN A 804 8.397 4.612 -9.039 1.00 0.93 H new ATOM 0 HB2 ASN A 804 6.526 2.698 -8.299 1.00 1.40 H new ATOM 0 HB3 ASN A 804 5.767 3.425 -9.701 1.00 1.40 H new ATOM 0 HD21 ASN A 804 7.753 1.686 -11.995 1.00 2.83 H new ATOM 0 HD22 ASN A 804 6.268 2.568 -11.623 1.00 2.83 H new ATOM 472 N THR A 805 5.736 6.442 -9.074 1.00 1.86 N ATOM 473 CA THR A 805 5.048 7.524 -9.771 1.00 2.72 C ATOM 474 C THR A 805 4.465 8.535 -8.789 1.00 3.19 C ATOM 475 O THR A 805 4.126 9.657 -9.168 1.00 3.83 O ATOM 476 CB THR A 805 3.917 6.986 -10.668 1.00 3.49 C ATOM 477 OG1 THR A 805 3.139 8.074 -11.180 1.00 3.73 O ATOM 478 CG2 THR A 805 3.017 6.034 -9.893 1.00 4.20 C ATOM 0 H THR A 805 5.426 6.294 -8.114 1.00 1.86 H new ATOM 0 HA THR A 805 5.793 8.018 -10.394 1.00 2.72 H new ATOM 0 HB THR A 805 4.369 6.440 -11.496 1.00 3.49 H new ATOM 0 HG1 THR A 805 3.343 8.888 -10.675 1.00 3.73 H new ATOM 0 HG21 THR A 805 2.226 5.667 -10.547 1.00 4.20 H new ATOM 0 HG22 THR A 805 3.606 5.192 -9.529 1.00 4.20 H new ATOM 0 HG23 THR A 805 2.574 6.560 -9.047 1.00 4.20 H new ATOM 486 N HIS A 806 4.348 8.132 -7.528 1.00 3.41 N ATOM 487 CA HIS A 806 3.802 9.006 -6.495 1.00 4.17 C ATOM 488 C HIS A 806 4.905 9.515 -5.572 1.00 4.02 C ATOM 489 O HIS A 806 5.762 8.748 -5.132 1.00 4.30 O ATOM 490 CB HIS A 806 2.739 8.268 -5.683 1.00 5.13 C ATOM 491 CG HIS A 806 1.362 8.377 -6.259 1.00 6.08 C ATOM 492 ND1 HIS A 806 0.872 9.536 -6.823 1.00 6.75 N ATOM 493 CD2 HIS A 806 0.368 7.463 -6.359 1.00 6.77 C ATOM 494 CE1 HIS A 806 -0.363 9.332 -7.242 1.00 7.67 C ATOM 495 NE2 HIS A 806 -0.693 8.082 -6.973 1.00 7.69 N ATOM 0 H HIS A 806 4.623 7.207 -7.197 1.00 3.41 H new ATOM 0 HA HIS A 806 3.342 9.864 -6.986 1.00 4.17 H new ATOM 0 HB2 HIS A 806 3.013 7.215 -5.614 1.00 5.13 H new ATOM 0 HB3 HIS A 806 2.731 8.663 -4.667 1.00 5.13 H new ATOM 0 HD2 HIS A 806 0.403 6.438 -6.019 1.00 6.77 H new ATOM 0 HE1 HIS A 806 -0.996 10.063 -7.723 1.00 7.67 H new ATOM 0 HE2 HIS A 806 -1.590 7.647 -7.187 1.00 7.69 H new ATOM 504 N ASN A 807 4.878 10.813 -5.282 1.00 4.10 N ATOM 505 CA ASN A 807 5.876 11.425 -4.413 1.00 4.41 C ATOM 506 C ASN A 807 5.266 11.808 -3.067 1.00 4.33 C ATOM 507 O ASN A 807 5.171 12.989 -2.731 1.00 4.37 O ATOM 508 CB ASN A 807 6.479 12.661 -5.086 1.00 4.84 C ATOM 509 CG ASN A 807 6.557 12.518 -6.593 1.00 5.63 C ATOM 510 OD1 ASN A 807 6.088 13.381 -7.334 1.00 6.02 O ATOM 511 ND2 ASN A 807 7.150 11.424 -7.055 1.00 6.22 N ATOM 0 H ASN A 807 4.175 11.461 -5.637 1.00 4.10 H new ATOM 0 HA ASN A 807 6.666 10.695 -4.237 1.00 4.41 H new ATOM 0 HB2 ASN A 807 5.879 13.536 -4.837 1.00 4.84 H new ATOM 0 HB3 ASN A 807 7.478 12.837 -4.688 1.00 4.84 H new ATOM 0 HD21 ASN A 807 7.231 11.274 -8.061 1.00 6.22 H new ATOM 0 HD22 ASN A 807 7.525 10.734 -6.404 1.00 6.22 H new ATOM 518 N ASN A 808 4.853 10.801 -2.304 1.00 4.61 N ATOM 519 CA ASN A 808 4.253 11.029 -0.994 1.00 4.89 C ATOM 520 C ASN A 808 5.201 10.594 0.119 1.00 4.54 C ATOM 521 O ASN A 808 4.881 10.709 1.302 1.00 4.85 O ATOM 522 CB ASN A 808 2.929 10.272 -0.882 1.00 5.45 C ATOM 523 CG ASN A 808 2.020 10.522 -2.069 1.00 6.15 C ATOM 524 OD1 ASN A 808 1.863 9.664 -2.939 1.00 6.37 O ATOM 525 ND2 ASN A 808 1.417 11.704 -2.113 1.00 6.83 N ATOM 0 H ASN A 808 4.923 9.819 -2.570 1.00 4.61 H new ATOM 0 HA ASN A 808 4.063 12.097 -0.886 1.00 4.89 H new ATOM 0 HB2 ASN A 808 3.130 9.204 -0.800 1.00 5.45 H new ATOM 0 HB3 ASN A 808 2.418 10.572 0.033 1.00 5.45 H new ATOM 0 HD21 ASN A 808 0.795 11.931 -2.889 1.00 6.83 H new ATOM 0 HD22 ASN A 808 1.576 12.385 -1.371 1.00 6.83 H new ATOM 532 N ASN A 809 6.371 10.101 -0.273 1.00 4.24 N ATOM 533 CA ASN A 809 7.375 9.651 0.685 1.00 4.01 C ATOM 534 C ASN A 809 8.779 9.962 0.177 1.00 3.02 C ATOM 535 O ASN A 809 8.947 10.706 -0.791 1.00 3.13 O ATOM 536 CB ASN A 809 7.228 8.150 0.940 1.00 4.74 C ATOM 537 CG ASN A 809 6.818 7.389 -0.304 1.00 5.63 C ATOM 538 OD1 ASN A 809 7.276 7.687 -1.407 1.00 5.91 O ATOM 539 ND2 ASN A 809 5.953 6.395 -0.131 1.00 6.41 N ATOM 0 H ASN A 809 6.648 10.003 -1.250 1.00 4.24 H new ATOM 0 HA ASN A 809 7.220 10.185 1.622 1.00 4.01 H new ATOM 0 HB2 ASN A 809 8.173 7.753 1.310 1.00 4.74 H new ATOM 0 HB3 ASN A 809 6.486 7.988 1.722 1.00 4.74 H new ATOM 0 HD21 ASN A 809 5.643 5.844 -0.931 1.00 6.41 H new ATOM 0 HD22 ASN A 809 5.599 6.183 0.802 1.00 6.41 H new ATOM 546 N ILE A 810 9.786 9.393 0.834 1.00 2.60 N ATOM 547 CA ILE A 810 11.173 9.617 0.443 1.00 2.14 C ATOM 548 C ILE A 810 11.795 8.353 -0.140 1.00 1.67 C ATOM 549 O ILE A 810 12.308 8.362 -1.260 1.00 2.29 O ATOM 550 CB ILE A 810 12.024 10.091 1.638 1.00 3.00 C ATOM 551 CG1 ILE A 810 11.296 11.200 2.399 1.00 3.79 C ATOM 552 CG2 ILE A 810 13.386 10.574 1.161 1.00 3.71 C ATOM 553 CD1 ILE A 810 11.635 11.246 3.874 1.00 4.78 C ATOM 0 H ILE A 810 9.667 8.775 1.637 1.00 2.60 H new ATOM 0 HA ILE A 810 11.163 10.396 -0.319 1.00 2.14 H new ATOM 0 HB ILE A 810 12.176 9.250 2.314 1.00 3.00 H new ATOM 0 HG12 ILE A 810 11.543 12.161 1.948 1.00 3.79 H new ATOM 0 HG13 ILE A 810 10.221 11.061 2.286 1.00 3.79 H new ATOM 0 HG21 ILE A 810 13.975 10.905 2.016 1.00 3.71 H new ATOM 0 HG22 ILE A 810 13.905 9.759 0.657 1.00 3.71 H new ATOM 0 HG23 ILE A 810 13.255 11.404 0.467 1.00 3.71 H new ATOM 0 HD11 ILE A 810 11.082 12.056 4.349 1.00 4.78 H new ATOM 0 HD12 ILE A 810 11.362 10.299 4.340 1.00 4.78 H new ATOM 0 HD13 ILE A 810 12.705 11.416 3.996 1.00 4.78 H new ATOM 565 N SER A 811 11.749 7.265 0.625 1.00 1.31 N ATOM 566 CA SER A 811 12.310 5.995 0.184 1.00 0.97 C ATOM 567 C SER A 811 11.300 4.861 0.358 1.00 0.83 C ATOM 568 O SER A 811 10.444 4.915 1.240 1.00 0.94 O ATOM 569 CB SER A 811 13.588 5.680 0.966 1.00 1.31 C ATOM 570 OG SER A 811 14.658 6.509 0.548 1.00 1.80 O ATOM 0 H SER A 811 11.328 7.240 1.554 1.00 1.31 H new ATOM 0 HA SER A 811 12.551 6.082 -0.875 1.00 0.97 H new ATOM 0 HB2 SER A 811 13.410 5.821 2.032 1.00 1.31 H new ATOM 0 HB3 SER A 811 13.857 4.633 0.823 1.00 1.31 H new ATOM 0 HG SER A 811 15.462 6.290 1.063 1.00 1.80 H new ATOM 576 N PRO A 812 11.389 3.812 -0.484 1.00 0.70 N ATOM 577 CA PRO A 812 10.478 2.663 -0.416 1.00 0.66 C ATOM 578 C PRO A 812 10.491 1.998 0.959 1.00 0.62 C ATOM 579 O PRO A 812 11.271 2.375 1.833 1.00 0.73 O ATOM 580 CB PRO A 812 11.026 1.702 -1.477 1.00 0.70 C ATOM 581 CG PRO A 812 11.800 2.566 -2.411 1.00 0.95 C ATOM 582 CD PRO A 812 12.379 3.664 -1.566 1.00 0.77 C ATOM 0 HA PRO A 812 9.442 2.957 -0.586 1.00 0.66 H new ATOM 0 HB2 PRO A 812 11.660 0.938 -1.028 1.00 0.70 H new ATOM 0 HB3 PRO A 812 10.219 1.183 -1.995 1.00 0.70 H new ATOM 0 HG2 PRO A 812 12.587 1.998 -2.908 1.00 0.95 H new ATOM 0 HG3 PRO A 812 11.157 2.971 -3.193 1.00 0.95 H new ATOM 0 HD2 PRO A 812 13.363 3.398 -1.179 1.00 0.77 H new ATOM 0 HD3 PRO A 812 12.498 4.588 -2.132 1.00 0.77 H new ATOM 590 N ILE A 813 9.624 1.006 1.142 1.00 0.62 N ATOM 591 CA ILE A 813 9.539 0.292 2.413 1.00 0.61 C ATOM 592 C ILE A 813 9.367 -1.207 2.195 1.00 0.59 C ATOM 593 O ILE A 813 8.925 -1.642 1.130 1.00 0.75 O ATOM 594 CB ILE A 813 8.374 0.813 3.278 1.00 0.70 C ATOM 595 CG1 ILE A 813 7.190 1.215 2.398 1.00 1.22 C ATOM 596 CG2 ILE A 813 8.831 1.988 4.132 1.00 1.05 C ATOM 597 CD1 ILE A 813 6.267 0.064 2.059 1.00 1.94 C ATOM 0 H ILE A 813 8.972 0.679 0.429 1.00 0.62 H new ATOM 0 HA ILE A 813 10.478 0.473 2.937 1.00 0.61 H new ATOM 0 HB ILE A 813 8.050 0.011 3.941 1.00 0.70 H new ATOM 0 HG12 ILE A 813 6.618 1.991 2.906 1.00 1.22 H new ATOM 0 HG13 ILE A 813 7.567 1.651 1.473 1.00 1.22 H new ATOM 0 HG21 ILE A 813 7.997 2.344 4.737 1.00 1.05 H new ATOM 0 HG22 ILE A 813 9.643 1.669 4.786 1.00 1.05 H new ATOM 0 HG23 ILE A 813 9.181 2.793 3.486 1.00 1.05 H new ATOM 0 HD11 ILE A 813 5.451 0.424 1.433 1.00 1.94 H new ATOM 0 HD12 ILE A 813 6.825 -0.704 1.522 1.00 1.94 H new ATOM 0 HD13 ILE A 813 5.860 -0.359 2.978 1.00 1.94 H new ATOM 609 N THR A 814 9.721 -1.994 3.208 1.00 0.49 N ATOM 610 CA THR A 814 9.609 -3.446 3.126 1.00 0.49 C ATOM 611 C THR A 814 8.596 -3.979 4.136 1.00 0.47 C ATOM 612 O THR A 814 7.749 -4.807 3.800 1.00 0.54 O ATOM 613 CB THR A 814 10.966 -4.131 3.368 1.00 0.53 C ATOM 614 OG1 THR A 814 11.346 -4.000 4.744 1.00 1.16 O ATOM 615 CG2 THR A 814 12.044 -3.525 2.481 1.00 1.07 C ATOM 0 H THR A 814 10.088 -1.649 4.095 1.00 0.49 H new ATOM 0 HA THR A 814 9.269 -3.678 2.117 1.00 0.49 H new ATOM 0 HB THR A 814 10.862 -5.187 3.120 1.00 0.53 H new ATOM 0 HG1 THR A 814 12.210 -4.440 4.888 1.00 1.16 H new ATOM 0 HG21 THR A 814 12.994 -4.025 2.670 1.00 1.07 H new ATOM 0 HG22 THR A 814 11.768 -3.653 1.434 1.00 1.07 H new ATOM 0 HG23 THR A 814 12.143 -2.462 2.703 1.00 1.07 H new ATOM 623 N LYS A 815 8.689 -3.499 5.372 1.00 0.42 N ATOM 624 CA LYS A 815 7.780 -3.928 6.431 1.00 0.42 C ATOM 625 C LYS A 815 6.452 -3.184 6.336 1.00 0.40 C ATOM 626 O LYS A 815 6.421 -1.985 6.061 1.00 0.48 O ATOM 627 CB LYS A 815 8.413 -3.691 7.802 1.00 0.49 C ATOM 628 CG LYS A 815 9.291 -4.837 8.271 1.00 0.89 C ATOM 629 CD LYS A 815 8.554 -5.741 9.246 1.00 1.30 C ATOM 630 CE LYS A 815 9.522 -6.586 10.059 1.00 1.97 C ATOM 631 NZ LYS A 815 9.289 -8.043 9.856 1.00 2.69 N ATOM 0 H LYS A 815 9.384 -2.813 5.666 1.00 0.42 H new ATOM 0 HA LYS A 815 7.591 -4.994 6.307 1.00 0.42 H new ATOM 0 HB2 LYS A 815 9.009 -2.779 7.765 1.00 0.49 H new ATOM 0 HB3 LYS A 815 7.623 -3.526 8.534 1.00 0.49 H new ATOM 0 HG2 LYS A 815 9.620 -5.420 7.411 1.00 0.89 H new ATOM 0 HG3 LYS A 815 10.186 -4.439 8.748 1.00 0.89 H new ATOM 0 HD2 LYS A 815 7.945 -5.135 9.917 1.00 1.30 H new ATOM 0 HD3 LYS A 815 7.873 -6.392 8.698 1.00 1.30 H new ATOM 0 HE2 LYS A 815 10.546 -6.339 9.777 1.00 1.97 H new ATOM 0 HE3 LYS A 815 9.415 -6.345 11.117 1.00 1.97 H new ATOM 0 HZ1 LYS A 815 9.968 -8.586 10.427 1.00 2.69 H new ATOM 0 HZ2 LYS A 815 8.320 -8.284 10.149 1.00 2.69 H new ATOM 0 HZ3 LYS A 815 9.415 -8.278 8.851 1.00 2.69 H new ATOM 645 N ILE A 816 5.355 -3.904 6.563 1.00 0.36 N ATOM 646 CA ILE A 816 4.026 -3.310 6.499 1.00 0.38 C ATOM 647 C ILE A 816 3.036 -4.061 7.384 1.00 0.33 C ATOM 648 O ILE A 816 3.365 -5.091 7.971 1.00 0.37 O ATOM 649 CB ILE A 816 3.483 -3.298 5.057 1.00 0.41 C ATOM 650 CG1 ILE A 816 3.935 -4.550 4.309 1.00 0.59 C ATOM 651 CG2 ILE A 816 3.930 -2.039 4.327 1.00 0.84 C ATOM 652 CD1 ILE A 816 2.797 -5.319 3.673 1.00 0.53 C ATOM 0 H ILE A 816 5.363 -4.898 6.792 1.00 0.36 H new ATOM 0 HA ILE A 816 4.128 -2.286 6.857 1.00 0.38 H new ATOM 0 HB ILE A 816 2.394 -3.297 5.096 1.00 0.41 H new ATOM 0 HG12 ILE A 816 4.647 -4.264 3.535 1.00 0.59 H new ATOM 0 HG13 ILE A 816 4.464 -5.206 5.001 1.00 0.59 H new ATOM 0 HG21 ILE A 816 3.537 -2.049 3.310 1.00 0.84 H new ATOM 0 HG22 ILE A 816 3.555 -1.161 4.853 1.00 0.84 H new ATOM 0 HG23 ILE A 816 5.019 -2.005 4.294 1.00 0.84 H new ATOM 0 HD11 ILE A 816 3.192 -6.195 3.159 1.00 0.53 H new ATOM 0 HD12 ILE A 816 2.096 -5.636 4.445 1.00 0.53 H new ATOM 0 HD13 ILE A 816 2.282 -4.680 2.956 1.00 0.53 H new ATOM 664 N LYS A 817 1.818 -3.535 7.465 1.00 0.32 N ATOM 665 CA LYS A 817 0.763 -4.147 8.264 1.00 0.31 C ATOM 666 C LYS A 817 -0.513 -4.269 7.444 1.00 0.32 C ATOM 667 O LYS A 817 -0.992 -3.288 6.879 1.00 0.59 O ATOM 668 CB LYS A 817 0.492 -3.323 9.523 1.00 0.37 C ATOM 669 CG LYS A 817 1.623 -3.369 10.537 1.00 0.39 C ATOM 670 CD LYS A 817 1.160 -3.951 11.862 1.00 0.38 C ATOM 671 CE LYS A 817 2.091 -3.560 12.998 1.00 0.50 C ATOM 672 NZ LYS A 817 1.413 -3.630 14.322 1.00 0.85 N ATOM 0 H LYS A 817 1.536 -2.681 6.984 1.00 0.32 H new ATOM 0 HA LYS A 817 1.094 -5.142 8.562 1.00 0.31 H new ATOM 0 HB2 LYS A 817 0.314 -2.286 9.237 1.00 0.37 H new ATOM 0 HB3 LYS A 817 -0.422 -3.685 9.994 1.00 0.37 H new ATOM 0 HG2 LYS A 817 2.443 -3.969 10.142 1.00 0.39 H new ATOM 0 HG3 LYS A 817 2.011 -2.363 10.696 1.00 0.39 H new ATOM 0 HD2 LYS A 817 0.151 -3.602 12.081 1.00 0.38 H new ATOM 0 HD3 LYS A 817 1.113 -5.037 11.787 1.00 0.38 H new ATOM 0 HE2 LYS A 817 2.959 -4.220 12.999 1.00 0.50 H new ATOM 0 HE3 LYS A 817 2.460 -2.548 12.832 1.00 0.50 H new ATOM 0 HZ1 LYS A 817 2.082 -3.356 15.070 1.00 0.85 H new ATOM 0 HZ2 LYS A 817 0.600 -2.982 14.330 1.00 0.85 H new ATOM 0 HZ3 LYS A 817 1.083 -4.601 14.492 1.00 0.85 H new ATOM 686 N TYR A 818 -1.064 -5.473 7.377 1.00 0.23 N ATOM 687 CA TYR A 818 -2.286 -5.698 6.613 1.00 0.22 C ATOM 688 C TYR A 818 -3.513 -5.655 7.517 1.00 0.23 C ATOM 689 O TYR A 818 -3.397 -5.718 8.740 1.00 0.31 O ATOM 690 CB TYR A 818 -2.214 -7.030 5.860 1.00 0.26 C ATOM 691 CG TYR A 818 -2.383 -8.254 6.735 1.00 0.30 C ATOM 692 CD1 TYR A 818 -1.402 -8.615 7.651 1.00 0.46 C ATOM 693 CD2 TYR A 818 -3.525 -9.043 6.655 1.00 0.41 C ATOM 694 CE1 TYR A 818 -1.550 -9.725 8.458 1.00 0.58 C ATOM 695 CE2 TYR A 818 -3.683 -10.154 7.461 1.00 0.51 C ATOM 696 CZ TYR A 818 -2.694 -10.513 8.328 1.00 0.56 C ATOM 697 OH TYR A 818 -2.846 -11.597 9.164 1.00 0.71 O ATOM 0 H TYR A 818 -0.690 -6.303 7.837 1.00 0.23 H new ATOM 0 HA TYR A 818 -2.380 -4.895 5.882 1.00 0.22 H new ATOM 0 HB2 TYR A 818 -2.985 -7.040 5.090 1.00 0.26 H new ATOM 0 HB3 TYR A 818 -1.253 -7.093 5.350 1.00 0.26 H new ATOM 0 HD1 TYR A 818 -0.507 -8.016 7.733 1.00 0.46 H new ATOM 0 HD2 TYR A 818 -4.302 -8.783 5.951 1.00 0.41 H new ATOM 0 HE1 TYR A 818 -0.790 -9.980 9.181 1.00 0.58 H new ATOM 0 HE2 TYR A 818 -4.590 -10.738 7.404 1.00 0.51 H new ATOM 0 HH TYR A 818 -3.799 -11.748 9.333 1.00 0.71 H new ATOM 707 N GLN A 819 -4.687 -5.542 6.907 1.00 0.27 N ATOM 708 CA GLN A 819 -5.935 -5.487 7.650 1.00 0.34 C ATOM 709 C GLN A 819 -6.659 -6.822 7.578 1.00 0.40 C ATOM 710 O GLN A 819 -7.113 -7.243 6.513 1.00 0.45 O ATOM 711 CB GLN A 819 -6.834 -4.374 7.105 1.00 0.44 C ATOM 712 CG GLN A 819 -8.228 -4.362 7.716 1.00 0.56 C ATOM 713 CD GLN A 819 -8.402 -3.272 8.756 1.00 1.14 C ATOM 714 OE1 GLN A 819 -8.040 -2.118 8.531 1.00 1.91 O ATOM 715 NE2 GLN A 819 -8.960 -3.637 9.906 1.00 1.44 N ATOM 0 H GLN A 819 -4.798 -5.487 5.895 1.00 0.27 H new ATOM 0 HA GLN A 819 -5.702 -5.272 8.693 1.00 0.34 H new ATOM 0 HB2 GLN A 819 -6.358 -3.411 7.289 1.00 0.44 H new ATOM 0 HB3 GLN A 819 -6.921 -4.485 6.024 1.00 0.44 H new ATOM 0 HG2 GLN A 819 -8.966 -4.225 6.925 1.00 0.56 H new ATOM 0 HG3 GLN A 819 -8.428 -5.331 8.174 1.00 0.56 H new ATOM 0 HE21 GLN A 819 -9.245 -4.606 10.050 1.00 1.44 H new ATOM 0 HE22 GLN A 819 -9.103 -2.948 10.645 1.00 1.44 H new ATOM 724 N ASP A 820 -6.756 -7.481 8.721 1.00 0.43 N ATOM 725 CA ASP A 820 -7.422 -8.777 8.808 1.00 0.53 C ATOM 726 C ASP A 820 -8.937 -8.610 8.840 1.00 0.62 C ATOM 727 O ASP A 820 -9.446 -7.498 8.971 1.00 0.65 O ATOM 728 CB ASP A 820 -6.954 -9.531 10.054 1.00 0.58 C ATOM 729 CG ASP A 820 -6.912 -11.031 9.840 1.00 1.13 C ATOM 730 OD1 ASP A 820 -5.921 -11.519 9.257 1.00 1.80 O ATOM 731 OD2 ASP A 820 -7.868 -11.718 10.256 1.00 1.34 O ATOM 0 H ASP A 820 -6.381 -7.141 9.607 1.00 0.43 H new ATOM 0 HA ASP A 820 -7.157 -9.353 7.922 1.00 0.53 H new ATOM 0 HB2 ASP A 820 -5.962 -9.179 10.337 1.00 0.58 H new ATOM 0 HB3 ASP A 820 -7.622 -9.304 10.885 1.00 0.58 H new ATOM 736 N GLU A 821 -9.652 -9.725 8.717 1.00 0.71 N ATOM 737 CA GLU A 821 -11.111 -9.704 8.727 1.00 0.82 C ATOM 738 C GLU A 821 -11.652 -9.552 10.145 1.00 0.83 C ATOM 739 O GLU A 821 -12.853 -9.692 10.379 1.00 0.97 O ATOM 740 CB GLU A 821 -11.662 -10.984 8.089 1.00 0.96 C ATOM 741 CG GLU A 821 -11.228 -12.254 8.804 1.00 1.10 C ATOM 742 CD GLU A 821 -12.342 -13.278 8.901 1.00 1.30 C ATOM 743 OE1 GLU A 821 -12.674 -13.895 7.867 1.00 1.62 O ATOM 744 OE2 GLU A 821 -12.881 -13.463 10.012 1.00 1.53 O ATOM 0 H GLU A 821 -9.245 -10.654 8.609 1.00 0.71 H new ATOM 0 HA GLU A 821 -11.439 -8.843 8.145 1.00 0.82 H new ATOM 0 HB2 GLU A 821 -12.751 -10.936 8.079 1.00 0.96 H new ATOM 0 HB3 GLU A 821 -11.336 -11.032 7.050 1.00 0.96 H new ATOM 0 HG2 GLU A 821 -10.381 -12.693 8.276 1.00 1.10 H new ATOM 0 HG3 GLU A 821 -10.883 -12.002 9.807 1.00 1.10 H new ATOM 751 N ASP A 822 -10.760 -9.264 11.088 1.00 0.79 N ATOM 752 CA ASP A 822 -11.151 -9.092 12.483 1.00 0.81 C ATOM 753 C ASP A 822 -11.129 -7.619 12.880 1.00 0.73 C ATOM 754 O ASP A 822 -11.311 -7.278 14.049 1.00 0.78 O ATOM 755 CB ASP A 822 -10.220 -9.890 13.396 1.00 0.86 C ATOM 756 CG ASP A 822 -10.364 -11.387 13.205 1.00 1.20 C ATOM 757 OD1 ASP A 822 -11.262 -11.982 13.838 1.00 1.65 O ATOM 758 OD2 ASP A 822 -9.581 -11.963 12.422 1.00 1.56 O ATOM 0 H ASP A 822 -9.762 -9.145 10.912 1.00 0.79 H new ATOM 0 HA ASP A 822 -12.169 -9.464 12.596 1.00 0.81 H new ATOM 0 HB2 ASP A 822 -9.188 -9.600 13.201 1.00 0.86 H new ATOM 0 HB3 ASP A 822 -10.431 -9.637 14.435 1.00 0.86 H new ATOM 763 N GLY A 823 -10.905 -6.749 11.899 1.00 0.68 N ATOM 764 CA GLY A 823 -10.861 -5.324 12.166 1.00 0.70 C ATOM 765 C GLY A 823 -9.668 -4.930 13.016 1.00 0.67 C ATOM 766 O GLY A 823 -9.829 -4.345 14.087 1.00 0.88 O ATOM 0 H GLY A 823 -10.753 -7.007 10.924 1.00 0.68 H new ATOM 0 HA2 GLY A 823 -10.825 -4.781 11.221 1.00 0.70 H new ATOM 0 HA3 GLY A 823 -11.779 -5.024 12.672 1.00 0.70 H new ATOM 770 N ASP A 824 -8.471 -5.254 12.536 1.00 0.54 N ATOM 771 CA ASP A 824 -7.246 -4.933 13.255 1.00 0.57 C ATOM 772 C ASP A 824 -6.024 -5.197 12.381 1.00 0.55 C ATOM 773 O ASP A 824 -5.900 -6.260 11.769 1.00 0.93 O ATOM 774 CB ASP A 824 -7.151 -5.754 14.544 1.00 0.65 C ATOM 775 CG ASP A 824 -6.856 -4.894 15.758 1.00 1.15 C ATOM 776 OD1 ASP A 824 -6.212 -3.836 15.593 1.00 1.86 O ATOM 777 OD2 ASP A 824 -7.270 -5.277 16.872 1.00 1.48 O ATOM 0 H ASP A 824 -8.325 -5.739 11.651 1.00 0.54 H new ATOM 0 HA ASP A 824 -7.271 -3.874 13.511 1.00 0.57 H new ATOM 0 HB2 ASP A 824 -8.088 -6.289 14.700 1.00 0.65 H new ATOM 0 HB3 ASP A 824 -6.369 -6.505 14.436 1.00 0.65 H new ATOM 782 N PHE A 825 -5.128 -4.219 12.327 1.00 0.42 N ATOM 783 CA PHE A 825 -3.914 -4.337 11.529 1.00 0.37 C ATOM 784 C PHE A 825 -2.934 -5.314 12.169 1.00 0.38 C ATOM 785 O PHE A 825 -2.653 -5.237 13.364 1.00 0.44 O ATOM 786 CB PHE A 825 -3.252 -2.971 11.359 1.00 0.39 C ATOM 787 CG PHE A 825 -3.871 -2.139 10.271 1.00 0.41 C ATOM 788 CD1 PHE A 825 -3.608 -2.415 8.939 1.00 0.38 C ATOM 789 CD2 PHE A 825 -4.717 -1.088 10.580 1.00 0.59 C ATOM 790 CE1 PHE A 825 -4.176 -1.654 7.935 1.00 0.43 C ATOM 791 CE2 PHE A 825 -5.289 -0.323 9.582 1.00 0.64 C ATOM 792 CZ PHE A 825 -5.019 -0.607 8.256 1.00 0.52 C ATOM 0 H PHE A 825 -5.219 -3.335 12.827 1.00 0.42 H new ATOM 0 HA PHE A 825 -4.193 -4.720 10.548 1.00 0.37 H new ATOM 0 HB2 PHE A 825 -3.312 -2.427 12.301 1.00 0.39 H new ATOM 0 HB3 PHE A 825 -2.194 -3.113 11.140 1.00 0.39 H new ATOM 0 HD1 PHE A 825 -2.952 -3.234 8.683 1.00 0.38 H new ATOM 0 HD2 PHE A 825 -4.933 -0.863 11.614 1.00 0.59 H new ATOM 0 HE1 PHE A 825 -3.961 -1.877 6.900 1.00 0.43 H new ATOM 0 HE2 PHE A 825 -5.946 0.495 9.837 1.00 0.64 H new ATOM 0 HZ PHE A 825 -5.466 -0.012 7.473 1.00 0.52 H new ATOM 802 N VAL A 826 -2.425 -6.234 11.360 1.00 0.38 N ATOM 803 CA VAL A 826 -1.487 -7.235 11.825 1.00 0.45 C ATOM 804 C VAL A 826 -0.126 -7.059 11.165 1.00 0.36 C ATOM 805 O VAL A 826 0.007 -6.334 10.180 1.00 0.31 O ATOM 806 CB VAL A 826 -2.001 -8.649 11.525 1.00 0.54 C ATOM 807 CG1 VAL A 826 -1.712 -9.571 12.685 1.00 0.97 C ATOM 808 CG2 VAL A 826 -3.489 -8.632 11.203 1.00 0.79 C ATOM 0 H VAL A 826 -2.652 -6.303 10.368 1.00 0.38 H new ATOM 0 HA VAL A 826 -1.386 -7.105 12.902 1.00 0.45 H new ATOM 0 HB VAL A 826 -1.475 -9.025 10.647 1.00 0.54 H new ATOM 0 HG11 VAL A 826 -2.083 -10.570 12.457 1.00 0.97 H new ATOM 0 HG12 VAL A 826 -0.636 -9.614 12.857 1.00 0.97 H new ATOM 0 HG13 VAL A 826 -2.208 -9.196 13.580 1.00 0.97 H new ATOM 0 HG21 VAL A 826 -3.828 -9.647 10.994 1.00 0.79 H new ATOM 0 HG22 VAL A 826 -4.041 -8.233 12.054 1.00 0.79 H new ATOM 0 HG23 VAL A 826 -3.665 -8.004 10.330 1.00 0.79 H new ATOM 818 N VAL A 827 0.880 -7.734 11.710 1.00 0.37 N ATOM 819 CA VAL A 827 2.231 -7.656 11.168 1.00 0.33 C ATOM 820 C VAL A 827 2.526 -8.863 10.287 1.00 0.30 C ATOM 821 O VAL A 827 2.776 -9.962 10.783 1.00 0.35 O ATOM 822 CB VAL A 827 3.292 -7.577 12.282 1.00 0.41 C ATOM 823 CG1 VAL A 827 4.446 -6.684 11.860 1.00 0.52 C ATOM 824 CG2 VAL A 827 2.674 -7.080 13.583 1.00 0.56 C ATOM 0 H VAL A 827 0.786 -8.340 12.525 1.00 0.37 H new ATOM 0 HA VAL A 827 2.282 -6.743 10.575 1.00 0.33 H new ATOM 0 HB VAL A 827 3.681 -8.581 12.453 1.00 0.41 H new ATOM 0 HG11 VAL A 827 5.185 -6.641 12.660 1.00 0.52 H new ATOM 0 HG12 VAL A 827 4.909 -7.089 10.960 1.00 0.52 H new ATOM 0 HG13 VAL A 827 4.074 -5.680 11.656 1.00 0.52 H new ATOM 0 HG21 VAL A 827 3.442 -7.032 14.355 1.00 0.56 H new ATOM 0 HG22 VAL A 827 2.252 -6.087 13.429 1.00 0.56 H new ATOM 0 HG23 VAL A 827 1.886 -7.765 13.896 1.00 0.56 H new ATOM 834 N LEU A 828 2.491 -8.652 8.975 1.00 0.26 N ATOM 835 CA LEU A 828 2.747 -9.724 8.021 1.00 0.28 C ATOM 836 C LEU A 828 4.244 -9.977 7.875 1.00 0.46 C ATOM 837 O LEU A 828 4.999 -9.092 7.473 1.00 0.60 O ATOM 838 CB LEU A 828 2.135 -9.380 6.661 1.00 0.31 C ATOM 839 CG LEU A 828 2.433 -10.380 5.542 1.00 0.45 C ATOM 840 CD1 LEU A 828 1.169 -10.706 4.764 1.00 0.66 C ATOM 841 CD2 LEU A 828 3.507 -9.832 4.611 1.00 0.81 C ATOM 0 H LEU A 828 2.288 -7.748 8.549 1.00 0.26 H new ATOM 0 HA LEU A 828 2.282 -10.634 8.399 1.00 0.28 H new ATOM 0 HB2 LEU A 828 1.054 -9.300 6.777 1.00 0.31 H new ATOM 0 HB3 LEU A 828 2.497 -8.398 6.355 1.00 0.31 H new ATOM 0 HG LEU A 828 2.803 -11.300 5.993 1.00 0.45 H new ATOM 0 HD11 LEU A 828 1.402 -11.419 3.973 1.00 0.66 H new ATOM 0 HD12 LEU A 828 0.429 -11.140 5.437 1.00 0.66 H new ATOM 0 HD13 LEU A 828 0.767 -9.793 4.323 1.00 0.66 H new ATOM 0 HD21 LEU A 828 3.707 -10.556 3.821 1.00 0.81 H new ATOM 0 HD22 LEU A 828 3.163 -8.897 4.169 1.00 0.81 H new ATOM 0 HD23 LEU A 828 4.421 -9.651 5.177 1.00 0.81 H new ATOM 853 N GLY A 829 4.663 -11.194 8.210 1.00 0.58 N ATOM 854 CA GLY A 829 6.066 -11.550 8.117 1.00 0.81 C ATOM 855 C GLY A 829 6.577 -11.554 6.690 1.00 0.49 C ATOM 856 O GLY A 829 7.419 -10.733 6.324 1.00 0.45 O ATOM 0 H GLY A 829 4.054 -11.941 8.545 1.00 0.58 H new ATOM 0 HA2 GLY A 829 6.654 -10.847 8.707 1.00 0.81 H new ATOM 0 HA3 GLY A 829 6.216 -12.537 8.555 1.00 0.81 H new ATOM 860 N SER A 830 6.070 -12.484 5.883 1.00 0.35 N ATOM 861 CA SER A 830 6.484 -12.595 4.489 1.00 0.23 C ATOM 862 C SER A 830 5.541 -13.522 3.724 1.00 0.19 C ATOM 863 O SER A 830 4.322 -13.426 3.867 1.00 0.20 O ATOM 864 CB SER A 830 7.926 -13.106 4.406 1.00 0.45 C ATOM 865 OG SER A 830 8.853 -12.036 4.455 1.00 1.31 O ATOM 0 H SER A 830 5.373 -13.170 6.172 1.00 0.35 H new ATOM 0 HA SER A 830 6.438 -11.607 4.031 1.00 0.23 H new ATOM 0 HB2 SER A 830 8.118 -13.795 5.229 1.00 0.45 H new ATOM 0 HB3 SER A 830 8.063 -13.667 3.482 1.00 0.45 H new ATOM 0 HG SER A 830 8.721 -11.453 3.679 1.00 1.31 H new ATOM 871 N ASP A 831 6.105 -14.419 2.917 1.00 0.18 N ATOM 872 CA ASP A 831 5.303 -15.358 2.141 1.00 0.18 C ATOM 873 C ASP A 831 4.415 -16.199 3.052 1.00 0.17 C ATOM 874 O ASP A 831 3.399 -16.740 2.617 1.00 0.22 O ATOM 875 CB ASP A 831 6.206 -16.270 1.310 1.00 0.23 C ATOM 876 CG ASP A 831 7.409 -15.539 0.748 1.00 1.33 C ATOM 877 OD1 ASP A 831 8.422 -15.416 1.470 1.00 1.77 O ATOM 878 OD2 ASP A 831 7.341 -15.089 -0.416 1.00 2.20 O ATOM 0 H ASP A 831 7.112 -14.514 2.785 1.00 0.18 H new ATOM 0 HA ASP A 831 4.665 -14.782 1.471 1.00 0.18 H new ATOM 0 HB2 ASP A 831 6.546 -17.101 1.928 1.00 0.23 H new ATOM 0 HB3 ASP A 831 5.629 -16.698 0.490 1.00 0.23 H new ATOM 883 N GLU A 832 4.806 -16.308 4.318 1.00 0.18 N ATOM 884 CA GLU A 832 4.044 -17.086 5.289 1.00 0.21 C ATOM 885 C GLU A 832 2.702 -16.423 5.584 1.00 0.19 C ATOM 886 O GLU A 832 1.652 -16.930 5.188 1.00 0.19 O ATOM 887 CB GLU A 832 4.843 -17.254 6.584 1.00 0.26 C ATOM 888 CG GLU A 832 4.384 -18.426 7.436 1.00 0.92 C ATOM 889 CD GLU A 832 4.839 -18.311 8.877 1.00 1.41 C ATOM 890 OE1 GLU A 832 5.941 -18.808 9.194 1.00 2.21 O ATOM 891 OE2 GLU A 832 4.093 -17.726 9.691 1.00 1.63 O ATOM 0 H GLU A 832 5.645 -15.868 4.695 1.00 0.18 H new ATOM 0 HA GLU A 832 3.855 -18.070 4.860 1.00 0.21 H new ATOM 0 HB2 GLU A 832 5.896 -17.386 6.336 1.00 0.26 H new ATOM 0 HB3 GLU A 832 4.766 -16.338 7.170 1.00 0.26 H new ATOM 0 HG2 GLU A 832 3.296 -18.488 7.406 1.00 0.92 H new ATOM 0 HG3 GLU A 832 4.768 -19.353 7.010 1.00 0.92 H new ATOM 898 N ASP A 833 2.744 -15.286 6.273 1.00 0.19 N ATOM 899 CA ASP A 833 1.529 -14.552 6.607 1.00 0.19 C ATOM 900 C ASP A 833 0.803 -14.119 5.342 1.00 0.18 C ATOM 901 O ASP A 833 -0.361 -13.726 5.387 1.00 0.18 O ATOM 902 CB ASP A 833 1.860 -13.331 7.467 1.00 0.22 C ATOM 903 CG ASP A 833 1.586 -13.569 8.939 1.00 0.41 C ATOM 904 OD1 ASP A 833 2.148 -14.535 9.498 1.00 0.73 O ATOM 905 OD2 ASP A 833 0.812 -12.789 9.533 1.00 0.73 O ATOM 0 H ASP A 833 3.605 -14.854 6.610 1.00 0.19 H new ATOM 0 HA ASP A 833 0.876 -15.213 7.176 1.00 0.19 H new ATOM 0 HB2 ASP A 833 2.910 -13.070 7.333 1.00 0.22 H new ATOM 0 HB3 ASP A 833 1.273 -12.479 7.124 1.00 0.22 H new ATOM 910 N TRP A 834 1.497 -14.207 4.215 1.00 0.17 N ATOM 911 CA TRP A 834 0.909 -13.838 2.934 1.00 0.17 C ATOM 912 C TRP A 834 0.037 -14.973 2.417 1.00 0.17 C ATOM 913 O TRP A 834 -1.086 -14.750 1.969 1.00 0.19 O ATOM 914 CB TRP A 834 2.003 -13.497 1.920 1.00 0.19 C ATOM 915 CG TRP A 834 1.503 -12.888 0.637 1.00 0.17 C ATOM 916 CD1 TRP A 834 2.136 -12.931 -0.571 1.00 0.17 C ATOM 917 CD2 TRP A 834 0.289 -12.145 0.423 1.00 0.19 C ATOM 918 NE1 TRP A 834 1.404 -12.262 -1.519 1.00 0.17 N ATOM 919 CE2 TRP A 834 0.264 -11.775 -0.938 1.00 0.19 C ATOM 920 CE3 TRP A 834 -0.779 -11.758 1.241 1.00 0.23 C ATOM 921 CZ2 TRP A 834 -0.780 -11.040 -1.492 1.00 0.23 C ATOM 922 CZ3 TRP A 834 -1.814 -11.029 0.688 1.00 0.26 C ATOM 923 CH2 TRP A 834 -1.809 -10.678 -0.667 1.00 0.26 C ATOM 0 H TRP A 834 2.463 -14.529 4.161 1.00 0.17 H new ATOM 0 HA TRP A 834 0.287 -12.954 3.074 1.00 0.17 H new ATOM 0 HB2 TRP A 834 2.707 -12.806 2.384 1.00 0.19 H new ATOM 0 HB3 TRP A 834 2.557 -14.406 1.684 1.00 0.19 H new ATOM 0 HD1 TRP A 834 3.080 -13.422 -0.755 1.00 0.17 H new ATOM 0 HE1 TRP A 834 1.666 -12.146 -2.498 1.00 0.17 H new ATOM 0 HE3 TRP A 834 -0.794 -12.025 2.287 1.00 0.23 H new ATOM 0 HZ2 TRP A 834 -0.778 -10.765 -2.536 1.00 0.23 H new ATOM 0 HZ3 TRP A 834 -2.641 -10.725 1.312 1.00 0.26 H new ATOM 0 HH2 TRP A 834 -2.635 -10.110 -1.069 1.00 0.26 H new ATOM 934 N ASN A 835 0.554 -16.192 2.504 1.00 0.18 N ATOM 935 CA ASN A 835 -0.183 -17.368 2.064 1.00 0.20 C ATOM 936 C ASN A 835 -1.374 -17.612 2.982 1.00 0.20 C ATOM 937 O ASN A 835 -2.408 -18.129 2.558 1.00 0.23 O ATOM 938 CB ASN A 835 0.726 -18.599 2.053 1.00 0.23 C ATOM 939 CG ASN A 835 1.453 -18.767 0.735 1.00 1.38 C ATOM 940 OD1 ASN A 835 0.832 -18.945 -0.313 1.00 1.90 O ATOM 941 ND2 ASN A 835 2.779 -18.711 0.782 1.00 1.98 N ATOM 0 H ASN A 835 1.483 -16.391 2.876 1.00 0.18 H new ATOM 0 HA ASN A 835 -0.543 -17.191 1.050 1.00 0.20 H new ATOM 0 HB2 ASN A 835 1.455 -18.516 2.859 1.00 0.23 H new ATOM 0 HB3 ASN A 835 0.130 -19.490 2.252 1.00 0.23 H new ATOM 0 HD21 ASN A 835 3.325 -18.817 -0.073 1.00 1.98 H new ATOM 0 HD22 ASN A 835 3.252 -18.562 1.673 1.00 1.98 H new ATOM 948 N VAL A 836 -1.220 -17.222 4.243 1.00 0.20 N ATOM 949 CA VAL A 836 -2.279 -17.379 5.229 1.00 0.22 C ATOM 950 C VAL A 836 -3.353 -16.319 5.025 1.00 0.22 C ATOM 951 O VAL A 836 -4.527 -16.638 4.840 1.00 0.27 O ATOM 952 CB VAL A 836 -1.732 -17.276 6.667 1.00 0.24 C ATOM 953 CG1 VAL A 836 -2.854 -17.437 7.683 1.00 0.67 C ATOM 954 CG2 VAL A 836 -0.644 -18.314 6.897 1.00 0.62 C ATOM 0 H VAL A 836 -0.368 -16.794 4.606 1.00 0.20 H new ATOM 0 HA VAL A 836 -2.709 -18.371 5.091 1.00 0.22 H new ATOM 0 HB VAL A 836 -1.296 -16.286 6.799 1.00 0.24 H new ATOM 0 HG11 VAL A 836 -2.446 -17.361 8.691 1.00 0.67 H new ATOM 0 HG12 VAL A 836 -3.597 -16.654 7.532 1.00 0.67 H new ATOM 0 HG13 VAL A 836 -3.324 -18.412 7.555 1.00 0.67 H new ATOM 0 HG21 VAL A 836 -0.269 -18.228 7.917 1.00 0.62 H new ATOM 0 HG22 VAL A 836 -1.055 -19.312 6.745 1.00 0.62 H new ATOM 0 HG23 VAL A 836 0.172 -18.147 6.194 1.00 0.62 H new ATOM 964 N ALA A 837 -2.937 -15.055 5.047 1.00 0.20 N ATOM 965 CA ALA A 837 -3.866 -13.948 4.851 1.00 0.20 C ATOM 966 C ALA A 837 -4.574 -14.073 3.506 1.00 0.20 C ATOM 967 O ALA A 837 -5.700 -13.604 3.341 1.00 0.21 O ATOM 968 CB ALA A 837 -3.138 -12.617 4.945 1.00 0.22 C ATOM 0 H ALA A 837 -1.968 -14.774 5.198 1.00 0.20 H new ATOM 0 HA ALA A 837 -4.616 -13.988 5.641 1.00 0.20 H new ATOM 0 HB1 ALA A 837 -3.847 -11.803 4.796 1.00 0.22 H new ATOM 0 HB2 ALA A 837 -2.678 -12.522 5.929 1.00 0.22 H new ATOM 0 HB3 ALA A 837 -2.365 -12.570 4.178 1.00 0.22 H new ATOM 974 N LYS A 838 -3.909 -14.717 2.550 1.00 0.21 N ATOM 975 CA LYS A 838 -4.481 -14.912 1.223 1.00 0.24 C ATOM 976 C LYS A 838 -5.647 -15.891 1.292 1.00 0.24 C ATOM 977 O LYS A 838 -6.708 -15.649 0.718 1.00 0.26 O ATOM 978 CB LYS A 838 -3.421 -15.423 0.247 1.00 0.28 C ATOM 979 CG LYS A 838 -2.756 -14.318 -0.562 1.00 0.38 C ATOM 980 CD LYS A 838 -1.810 -14.880 -1.613 1.00 0.49 C ATOM 981 CE LYS A 838 -0.590 -15.532 -0.980 1.00 0.68 C ATOM 982 NZ LYS A 838 0.126 -16.417 -1.938 1.00 0.85 N ATOM 0 H LYS A 838 -2.976 -15.111 2.670 1.00 0.21 H new ATOM 0 HA LYS A 838 -4.847 -13.951 0.862 1.00 0.24 H new ATOM 0 HB2 LYS A 838 -2.657 -15.964 0.804 1.00 0.28 H new ATOM 0 HB3 LYS A 838 -3.882 -16.136 -0.437 1.00 0.28 H new ATOM 0 HG2 LYS A 838 -3.521 -13.712 -1.048 1.00 0.38 H new ATOM 0 HG3 LYS A 838 -2.205 -13.658 0.108 1.00 0.38 H new ATOM 0 HD2 LYS A 838 -2.338 -15.612 -2.224 1.00 0.49 H new ATOM 0 HD3 LYS A 838 -1.490 -14.080 -2.280 1.00 0.49 H new ATOM 0 HE2 LYS A 838 0.090 -14.759 -0.622 1.00 0.68 H new ATOM 0 HE3 LYS A 838 -0.899 -16.113 -0.111 1.00 0.68 H new ATOM 0 HZ1 LYS A 838 0.558 -17.210 -1.422 1.00 0.85 H new ATOM 0 HZ2 LYS A 838 -0.547 -16.786 -2.640 1.00 0.85 H new ATOM 0 HZ3 LYS A 838 0.869 -15.874 -2.423 1.00 0.85 H new ATOM 996 N GLU A 839 -5.445 -16.992 2.013 1.00 0.26 N ATOM 997 CA GLU A 839 -6.484 -18.000 2.174 1.00 0.29 C ATOM 998 C GLU A 839 -7.712 -17.385 2.837 1.00 0.27 C ATOM 999 O GLU A 839 -8.835 -17.851 2.649 1.00 0.31 O ATOM 1000 CB GLU A 839 -5.966 -19.172 3.014 1.00 0.34 C ATOM 1001 CG GLU A 839 -5.818 -20.466 2.230 1.00 0.71 C ATOM 1002 CD GLU A 839 -5.746 -21.685 3.128 1.00 1.28 C ATOM 1003 OE1 GLU A 839 -4.743 -21.827 3.858 1.00 1.95 O ATOM 1004 OE2 GLU A 839 -6.693 -22.499 3.100 1.00 1.82 O ATOM 0 H GLU A 839 -4.571 -17.206 2.494 1.00 0.26 H new ATOM 0 HA GLU A 839 -6.762 -18.373 1.188 1.00 0.29 H new ATOM 0 HB2 GLU A 839 -5.000 -18.903 3.440 1.00 0.34 H new ATOM 0 HB3 GLU A 839 -6.647 -19.339 3.848 1.00 0.34 H new ATOM 0 HG2 GLU A 839 -6.661 -20.571 1.547 1.00 0.71 H new ATOM 0 HG3 GLU A 839 -4.917 -20.415 1.619 1.00 0.71 H new ATOM 1011 N MET A 840 -7.480 -16.325 3.608 1.00 0.25 N ATOM 1012 CA MET A 840 -8.557 -15.624 4.298 1.00 0.24 C ATOM 1013 C MET A 840 -9.362 -14.784 3.309 1.00 0.24 C ATOM 1014 O MET A 840 -10.579 -14.650 3.439 1.00 0.27 O ATOM 1015 CB MET A 840 -7.980 -14.738 5.410 1.00 0.24 C ATOM 1016 CG MET A 840 -8.884 -13.581 5.811 1.00 0.26 C ATOM 1017 SD MET A 840 -8.043 -12.376 6.857 1.00 0.30 S ATOM 1018 CE MET A 840 -7.201 -11.385 5.625 1.00 0.27 C ATOM 0 H MET A 840 -6.552 -15.933 3.770 1.00 0.25 H new ATOM 0 HA MET A 840 -9.224 -16.359 4.748 1.00 0.24 H new ATOM 0 HB2 MET A 840 -7.785 -15.355 6.288 1.00 0.24 H new ATOM 0 HB3 MET A 840 -7.020 -14.339 5.081 1.00 0.24 H new ATOM 0 HG2 MET A 840 -9.252 -13.084 4.913 1.00 0.26 H new ATOM 0 HG3 MET A 840 -9.754 -13.971 6.339 1.00 0.26 H new ATOM 0 HE1 MET A 840 -6.209 -11.117 5.990 1.00 0.27 H new ATOM 0 HE2 MET A 840 -7.106 -11.956 4.702 1.00 0.27 H new ATOM 0 HE3 MET A 840 -7.775 -10.478 5.433 1.00 0.27 H new ATOM 1028 N LEU A 841 -8.672 -14.228 2.318 1.00 0.22 N ATOM 1029 CA LEU A 841 -9.317 -13.408 1.301 1.00 0.24 C ATOM 1030 C LEU A 841 -10.250 -14.252 0.443 1.00 0.24 C ATOM 1031 O LEU A 841 -11.439 -13.956 0.326 1.00 0.28 O ATOM 1032 CB LEU A 841 -8.265 -12.739 0.414 1.00 0.26 C ATOM 1033 CG LEU A 841 -7.583 -11.517 1.028 1.00 0.32 C ATOM 1034 CD1 LEU A 841 -6.242 -11.264 0.359 1.00 0.47 C ATOM 1035 CD2 LEU A 841 -8.478 -10.291 0.911 1.00 0.38 C ATOM 0 H LEU A 841 -7.664 -14.331 2.198 1.00 0.22 H new ATOM 0 HA LEU A 841 -9.903 -12.639 1.805 1.00 0.24 H new ATOM 0 HB2 LEU A 841 -7.501 -13.475 0.164 1.00 0.26 H new ATOM 0 HB3 LEU A 841 -8.738 -12.440 -0.522 1.00 0.26 H new ATOM 0 HG LEU A 841 -7.408 -11.715 2.086 1.00 0.32 H new ATOM 0 HD11 LEU A 841 -5.770 -10.390 0.809 1.00 0.47 H new ATOM 0 HD12 LEU A 841 -5.598 -12.133 0.494 1.00 0.47 H new ATOM 0 HD13 LEU A 841 -6.394 -11.087 -0.706 1.00 0.47 H new ATOM 0 HD21 LEU A 841 -7.976 -9.431 1.353 1.00 0.38 H new ATOM 0 HD22 LEU A 841 -8.684 -10.090 -0.140 1.00 0.38 H new ATOM 0 HD23 LEU A 841 -9.416 -10.474 1.436 1.00 0.38 H new ATOM 1047 N ALA A 842 -9.701 -15.306 -0.153 1.00 0.30 N ATOM 1048 CA ALA A 842 -10.481 -16.198 -1.000 1.00 0.35 C ATOM 1049 C ALA A 842 -11.602 -16.863 -0.215 1.00 0.36 C ATOM 1050 O ALA A 842 -12.582 -17.336 -0.793 1.00 0.49 O ATOM 1051 CB ALA A 842 -9.582 -17.251 -1.622 1.00 0.49 C ATOM 0 H ALA A 842 -8.718 -15.562 -0.064 1.00 0.30 H new ATOM 0 HA ALA A 842 -10.932 -15.601 -1.793 1.00 0.35 H new ATOM 0 HB1 ALA A 842 -10.177 -17.911 -2.253 1.00 0.49 H new ATOM 0 HB2 ALA A 842 -8.816 -16.765 -2.227 1.00 0.49 H new ATOM 0 HB3 ALA A 842 -9.106 -17.834 -0.834 1.00 0.49 H new ATOM 1057 N GLU A 843 -11.460 -16.888 1.106 1.00 0.34 N ATOM 1058 CA GLU A 843 -12.468 -17.487 1.973 1.00 0.42 C ATOM 1059 C GLU A 843 -13.757 -16.672 1.932 1.00 0.53 C ATOM 1060 O GLU A 843 -14.724 -16.983 2.628 1.00 0.69 O ATOM 1061 CB GLU A 843 -11.950 -17.575 3.411 1.00 0.45 C ATOM 1062 CG GLU A 843 -12.244 -18.908 4.083 1.00 0.57 C ATOM 1063 CD GLU A 843 -10.994 -19.739 4.300 1.00 1.05 C ATOM 1064 OE1 GLU A 843 -10.194 -19.387 5.192 1.00 1.36 O ATOM 1065 OE2 GLU A 843 -10.817 -20.743 3.578 1.00 1.68 O ATOM 0 H GLU A 843 -10.656 -16.500 1.600 1.00 0.34 H new ATOM 0 HA GLU A 843 -12.678 -18.494 1.612 1.00 0.42 H new ATOM 0 HB2 GLU A 843 -10.873 -17.407 3.411 1.00 0.45 H new ATOM 0 HB3 GLU A 843 -12.398 -16.774 3.999 1.00 0.45 H new ATOM 0 HG2 GLU A 843 -12.728 -18.728 5.043 1.00 0.57 H new ATOM 0 HG3 GLU A 843 -12.949 -19.471 3.472 1.00 0.57 H new ATOM 1072 N ASN A 844 -13.757 -15.626 1.111 1.00 0.54 N ATOM 1073 CA ASN A 844 -14.919 -14.758 0.968 1.00 0.77 C ATOM 1074 C ASN A 844 -14.931 -14.092 -0.404 1.00 0.81 C ATOM 1075 O ASN A 844 -15.543 -13.038 -0.587 1.00 1.48 O ATOM 1076 CB ASN A 844 -14.923 -13.691 2.064 1.00 0.89 C ATOM 1077 CG ASN A 844 -15.396 -14.235 3.399 1.00 1.06 C ATOM 1078 OD1 ASN A 844 -16.594 -14.415 3.618 1.00 1.96 O ATOM 1079 ND2 ASN A 844 -14.456 -14.496 4.298 1.00 1.05 N ATOM 0 H ASN A 844 -12.961 -15.359 0.532 1.00 0.54 H new ATOM 0 HA ASN A 844 -15.815 -15.371 1.065 1.00 0.77 H new ATOM 0 HB2 ASN A 844 -13.918 -13.285 2.176 1.00 0.89 H new ATOM 0 HB3 ASN A 844 -15.568 -12.866 1.762 1.00 0.89 H new ATOM 0 HD21 ASN A 844 -14.714 -14.861 5.215 1.00 1.05 H new ATOM 0 HD22 ASN A 844 -13.475 -14.331 4.073 1.00 1.05 H new ATOM 1086 N ASN A 845 -14.249 -14.715 -1.363 1.00 0.49 N ATOM 1087 CA ASN A 845 -14.174 -14.189 -2.723 1.00 0.56 C ATOM 1088 C ASN A 845 -13.559 -12.791 -2.737 1.00 0.48 C ATOM 1089 O ASN A 845 -13.760 -12.024 -3.680 1.00 0.57 O ATOM 1090 CB ASN A 845 -15.563 -14.156 -3.362 1.00 0.73 C ATOM 1091 CG ASN A 845 -15.559 -14.676 -4.785 1.00 1.33 C ATOM 1092 OD1 ASN A 845 -15.182 -15.820 -5.038 1.00 1.99 O ATOM 1093 ND2 ASN A 845 -15.977 -13.836 -5.724 1.00 1.97 N ATOM 0 H ASN A 845 -13.739 -15.587 -1.222 1.00 0.49 H new ATOM 0 HA ASN A 845 -13.533 -14.853 -3.303 1.00 0.56 H new ATOM 0 HB2 ASN A 845 -16.250 -14.753 -2.762 1.00 0.73 H new ATOM 0 HB3 ASN A 845 -15.939 -13.133 -3.353 1.00 0.73 H new ATOM 0 HD21 ASN A 845 -15.994 -14.130 -6.700 1.00 1.97 H new ATOM 0 HD22 ASN A 845 -16.281 -12.896 -5.469 1.00 1.97 H new ATOM 1100 N GLU A 846 -12.813 -12.468 -1.686 1.00 0.35 N ATOM 1101 CA GLU A 846 -12.168 -11.164 -1.576 1.00 0.31 C ATOM 1102 C GLU A 846 -10.852 -11.142 -2.347 1.00 0.30 C ATOM 1103 O GLU A 846 -10.114 -12.128 -2.363 1.00 0.49 O ATOM 1104 CB GLU A 846 -11.921 -10.815 -0.109 1.00 0.33 C ATOM 1105 CG GLU A 846 -12.846 -9.734 0.423 1.00 0.44 C ATOM 1106 CD GLU A 846 -13.315 -10.011 1.838 1.00 1.38 C ATOM 1107 OE1 GLU A 846 -12.481 -10.428 2.670 1.00 2.30 O ATOM 1108 OE2 GLU A 846 -14.516 -9.810 2.116 1.00 1.69 O ATOM 0 H GLU A 846 -12.640 -13.091 -0.898 1.00 0.35 H new ATOM 0 HA GLU A 846 -12.835 -10.419 -2.010 1.00 0.31 H new ATOM 0 HB2 GLU A 846 -12.042 -11.714 0.495 1.00 0.33 H new ATOM 0 HB3 GLU A 846 -10.888 -10.488 0.009 1.00 0.33 H new ATOM 0 HG2 GLU A 846 -12.330 -8.774 0.397 1.00 0.44 H new ATOM 0 HG3 GLU A 846 -13.713 -9.648 -0.233 1.00 0.44 H new ATOM 1115 N LYS A 847 -10.565 -10.013 -2.986 1.00 0.27 N ATOM 1116 CA LYS A 847 -9.337 -9.859 -3.760 1.00 0.31 C ATOM 1117 C LYS A 847 -8.635 -8.550 -3.418 1.00 0.36 C ATOM 1118 O LYS A 847 -7.620 -8.202 -4.023 1.00 0.67 O ATOM 1119 CB LYS A 847 -9.640 -9.910 -5.260 1.00 0.38 C ATOM 1120 CG LYS A 847 -11.088 -9.594 -5.602 1.00 0.69 C ATOM 1121 CD LYS A 847 -11.198 -8.378 -6.506 1.00 0.97 C ATOM 1122 CE LYS A 847 -12.258 -8.574 -7.578 1.00 1.32 C ATOM 1123 NZ LYS A 847 -13.081 -7.350 -7.775 1.00 1.98 N ATOM 0 H LYS A 847 -11.167 -9.189 -2.984 1.00 0.27 H new ATOM 0 HA LYS A 847 -8.674 -10.685 -3.502 1.00 0.31 H new ATOM 0 HB2 LYS A 847 -8.991 -9.203 -5.777 1.00 0.38 H new ATOM 0 HB3 LYS A 847 -9.395 -10.903 -5.638 1.00 0.38 H new ATOM 0 HG2 LYS A 847 -11.542 -10.455 -6.093 1.00 0.69 H new ATOM 0 HG3 LYS A 847 -11.649 -9.417 -4.684 1.00 0.69 H new ATOM 0 HD2 LYS A 847 -11.442 -7.500 -5.908 1.00 0.97 H new ATOM 0 HD3 LYS A 847 -10.234 -8.185 -6.977 1.00 0.97 H new ATOM 0 HE2 LYS A 847 -11.778 -8.844 -8.519 1.00 1.32 H new ATOM 0 HE3 LYS A 847 -12.905 -9.406 -7.301 1.00 1.32 H new ATOM 0 HZ1 LYS A 847 -13.792 -7.525 -8.514 1.00 1.98 H new ATOM 0 HZ2 LYS A 847 -13.560 -7.107 -6.884 1.00 1.98 H new ATOM 0 HZ3 LYS A 847 -12.467 -6.562 -8.065 1.00 1.98 H new ATOM 1137 N PHE A 848 -9.183 -7.825 -2.446 1.00 0.32 N ATOM 1138 CA PHE A 848 -8.608 -6.553 -2.024 1.00 0.37 C ATOM 1139 C PHE A 848 -7.865 -6.703 -0.700 1.00 0.30 C ATOM 1140 O PHE A 848 -8.422 -7.189 0.284 1.00 0.39 O ATOM 1141 CB PHE A 848 -9.699 -5.492 -1.889 1.00 0.50 C ATOM 1142 CG PHE A 848 -9.910 -4.684 -3.137 1.00 0.52 C ATOM 1143 CD1 PHE A 848 -10.230 -5.300 -4.336 1.00 0.82 C ATOM 1144 CD2 PHE A 848 -9.788 -3.302 -3.111 1.00 0.92 C ATOM 1145 CE1 PHE A 848 -10.426 -4.557 -5.485 1.00 1.02 C ATOM 1146 CE2 PHE A 848 -9.982 -2.554 -4.257 1.00 1.09 C ATOM 1147 CZ PHE A 848 -10.301 -3.182 -5.445 1.00 0.98 C ATOM 0 H PHE A 848 -10.024 -8.097 -1.937 1.00 0.32 H new ATOM 0 HA PHE A 848 -7.897 -6.237 -2.787 1.00 0.37 H new ATOM 0 HB2 PHE A 848 -10.636 -5.979 -1.619 1.00 0.50 H new ATOM 0 HB3 PHE A 848 -9.441 -4.820 -1.070 1.00 0.50 H new ATOM 0 HD1 PHE A 848 -10.328 -6.375 -4.373 1.00 0.82 H new ATOM 0 HD2 PHE A 848 -9.539 -2.805 -2.185 1.00 0.92 H new ATOM 0 HE1 PHE A 848 -10.676 -5.051 -6.412 1.00 1.02 H new ATOM 0 HE2 PHE A 848 -9.884 -1.479 -4.223 1.00 1.09 H new ATOM 0 HZ PHE A 848 -10.452 -2.599 -6.341 1.00 0.98 H new ATOM 1157 N LEU A 849 -6.604 -6.284 -0.686 1.00 0.27 N ATOM 1158 CA LEU A 849 -5.782 -6.373 0.515 1.00 0.23 C ATOM 1159 C LEU A 849 -5.322 -4.991 0.970 1.00 0.24 C ATOM 1160 O LEU A 849 -4.761 -4.222 0.186 1.00 0.32 O ATOM 1161 CB LEU A 849 -4.570 -7.277 0.257 1.00 0.26 C ATOM 1162 CG LEU A 849 -4.057 -8.074 1.464 1.00 0.31 C ATOM 1163 CD1 LEU A 849 -3.131 -7.218 2.315 1.00 0.53 C ATOM 1164 CD2 LEU A 849 -5.213 -8.605 2.303 1.00 0.74 C ATOM 0 H LEU A 849 -6.129 -5.879 -1.493 1.00 0.27 H new ATOM 0 HA LEU A 849 -6.388 -6.806 1.311 1.00 0.23 H new ATOM 0 HB2 LEU A 849 -4.828 -7.980 -0.535 1.00 0.26 H new ATOM 0 HB3 LEU A 849 -3.754 -6.659 -0.119 1.00 0.26 H new ATOM 0 HG LEU A 849 -3.493 -8.928 1.088 1.00 0.31 H new ATOM 0 HD11 LEU A 849 -2.777 -7.800 3.166 1.00 0.53 H new ATOM 0 HD12 LEU A 849 -2.279 -6.897 1.716 1.00 0.53 H new ATOM 0 HD13 LEU A 849 -3.672 -6.343 2.674 1.00 0.53 H new ATOM 0 HD21 LEU A 849 -4.820 -9.166 3.151 1.00 0.74 H new ATOM 0 HD22 LEU A 849 -5.812 -7.770 2.666 1.00 0.74 H new ATOM 0 HD23 LEU A 849 -5.835 -9.260 1.693 1.00 0.74 H new ATOM 1176 N ASN A 850 -5.566 -4.685 2.244 1.00 0.23 N ATOM 1177 CA ASN A 850 -5.182 -3.397 2.819 1.00 0.29 C ATOM 1178 C ASN A 850 -3.739 -3.436 3.316 1.00 0.30 C ATOM 1179 O ASN A 850 -3.207 -4.506 3.610 1.00 0.43 O ATOM 1180 CB ASN A 850 -6.118 -3.039 3.974 1.00 0.37 C ATOM 1181 CG ASN A 850 -7.289 -2.185 3.528 1.00 0.64 C ATOM 1182 OD1 ASN A 850 -7.143 -1.308 2.677 1.00 1.52 O ATOM 1183 ND2 ASN A 850 -8.459 -2.436 4.104 1.00 0.92 N ATOM 0 H ASN A 850 -6.030 -5.314 2.899 1.00 0.23 H new ATOM 0 HA ASN A 850 -5.262 -2.637 2.042 1.00 0.29 H new ATOM 0 HB2 ASN A 850 -6.493 -3.955 4.431 1.00 0.37 H new ATOM 0 HB3 ASN A 850 -5.556 -2.507 4.742 1.00 0.37 H new ATOM 0 HD21 ASN A 850 -9.282 -1.892 3.845 1.00 0.92 H new ATOM 0 HD22 ASN A 850 -8.535 -3.173 4.805 1.00 0.92 H new ATOM 1190 N ILE A 851 -3.104 -2.268 3.404 1.00 0.31 N ATOM 1191 CA ILE A 851 -1.721 -2.197 3.863 1.00 0.36 C ATOM 1192 C ILE A 851 -1.539 -1.148 4.957 1.00 0.53 C ATOM 1193 O ILE A 851 -2.449 -0.368 5.239 1.00 0.71 O ATOM 1194 CB ILE A 851 -0.758 -1.908 2.705 1.00 0.41 C ATOM 1195 CG1 ILE A 851 -1.261 -2.602 1.455 1.00 0.54 C ATOM 1196 CG2 ILE A 851 0.647 -2.379 3.033 1.00 0.53 C ATOM 1197 CD1 ILE A 851 -0.836 -1.937 0.165 1.00 1.04 C ATOM 0 H ILE A 851 -3.521 -1.368 3.166 1.00 0.31 H new ATOM 0 HA ILE A 851 -1.483 -3.175 4.281 1.00 0.36 H new ATOM 0 HB ILE A 851 -0.720 -0.831 2.540 1.00 0.41 H new ATOM 0 HG12 ILE A 851 -0.903 -3.632 1.455 1.00 0.54 H new ATOM 0 HG13 ILE A 851 -2.350 -2.643 1.488 1.00 0.54 H new ATOM 0 HG21 ILE A 851 1.309 -2.162 2.195 1.00 0.53 H new ATOM 0 HG22 ILE A 851 1.006 -1.861 3.922 1.00 0.53 H new ATOM 0 HG23 ILE A 851 0.637 -3.453 3.218 1.00 0.53 H new ATOM 0 HD11 ILE A 851 -1.237 -2.495 -0.681 1.00 1.04 H new ATOM 0 HD12 ILE A 851 -1.217 -0.916 0.139 1.00 1.04 H new ATOM 0 HD13 ILE A 851 0.252 -1.920 0.106 1.00 1.04 H new ATOM 1209 N ARG A 852 -0.357 -1.152 5.578 1.00 0.59 N ATOM 1210 CA ARG A 852 -0.022 -0.222 6.658 1.00 0.80 C ATOM 1211 C ARG A 852 -0.600 1.172 6.416 1.00 0.83 C ATOM 1212 O ARG A 852 -1.662 1.510 6.938 1.00 1.70 O ATOM 1213 CB ARG A 852 1.496 -0.132 6.816 1.00 1.22 C ATOM 1214 CG ARG A 852 1.992 -0.537 8.195 1.00 2.24 C ATOM 1215 CD ARG A 852 3.384 0.009 8.469 1.00 3.05 C ATOM 1216 NE ARG A 852 3.359 1.113 9.424 1.00 3.71 N ATOM 1217 CZ ARG A 852 4.114 2.201 9.311 1.00 4.39 C ATOM 1218 NH1 ARG A 852 4.947 2.331 8.287 1.00 4.68 N ATOM 1219 NH2 ARG A 852 4.035 3.161 10.222 1.00 5.09 N ATOM 0 H ARG A 852 0.395 -1.801 5.346 1.00 0.59 H new ATOM 0 HA ARG A 852 -0.468 -0.610 7.574 1.00 0.80 H new ATOM 0 HB2 ARG A 852 1.969 -0.769 6.068 1.00 1.22 H new ATOM 0 HB3 ARG A 852 1.814 0.890 6.611 1.00 1.22 H new ATOM 0 HG2 ARG A 852 1.300 -0.170 8.954 1.00 2.24 H new ATOM 0 HG3 ARG A 852 2.004 -1.624 8.274 1.00 2.24 H new ATOM 0 HD2 ARG A 852 4.018 -0.790 8.854 1.00 3.05 H new ATOM 0 HD3 ARG A 852 3.831 0.348 7.534 1.00 3.05 H new ATOM 0 HE ARG A 852 2.727 1.046 10.222 1.00 3.71 H new ATOM 0 HH11 ARG A 852 5.009 1.595 7.584 1.00 4.68 H new ATOM 0 HH12 ARG A 852 5.525 3.167 8.203 1.00 4.68 H new ATOM 0 HH21 ARG A 852 3.395 3.065 11.010 1.00 5.09 H new ATOM 0 HH22 ARG A 852 4.615 3.996 10.135 1.00 5.09 H new ATOM 1233 N LEU A 853 0.113 1.978 5.630 1.00 0.91 N ATOM 1234 CA LEU A 853 -0.324 3.338 5.331 1.00 1.58 C ATOM 1235 C LEU A 853 -0.557 4.124 6.619 1.00 2.01 C ATOM 1236 O LEU A 853 -1.474 4.941 6.705 1.00 2.60 O ATOM 1237 CB LEU A 853 -1.604 3.316 4.489 1.00 1.88 C ATOM 1238 CG LEU A 853 -1.565 4.163 3.212 1.00 1.74 C ATOM 1239 CD1 LEU A 853 -1.320 5.627 3.543 1.00 1.95 C ATOM 1240 CD2 LEU A 853 -0.496 3.642 2.261 1.00 2.38 C ATOM 0 H LEU A 853 0.994 1.712 5.190 1.00 0.91 H new ATOM 0 HA LEU A 853 0.463 3.831 4.761 1.00 1.58 H new ATOM 0 HB2 LEU A 853 -1.820 2.284 4.214 1.00 1.88 H new ATOM 0 HB3 LEU A 853 -2.432 3.661 5.108 1.00 1.88 H new ATOM 0 HG LEU A 853 -2.534 4.084 2.719 1.00 1.74 H new ATOM 0 HD11 LEU A 853 -1.296 6.209 2.622 1.00 1.95 H new ATOM 0 HD12 LEU A 853 -2.122 5.994 4.184 1.00 1.95 H new ATOM 0 HD13 LEU A 853 -0.366 5.728 4.061 1.00 1.95 H new ATOM 0 HD21 LEU A 853 -0.481 4.254 1.359 1.00 2.38 H new ATOM 0 HD22 LEU A 853 0.478 3.689 2.748 1.00 2.38 H new ATOM 0 HD23 LEU A 853 -0.719 2.609 1.994 1.00 2.38 H new ATOM 1252 N TYR A 854 0.281 3.867 7.620 1.00 1.85 N ATOM 1253 CA TYR A 854 0.171 4.543 8.907 1.00 2.27 C ATOM 1254 C TYR A 854 0.787 5.939 8.844 1.00 2.81 C ATOM 1255 O TYR A 854 1.401 6.266 7.807 1.00 3.39 O ATOM 1256 CB TYR A 854 0.863 3.722 9.998 1.00 2.12 C ATOM 1257 CG TYR A 854 -0.027 2.680 10.638 1.00 1.65 C ATOM 1258 CD1 TYR A 854 -1.133 3.045 11.392 1.00 1.81 C ATOM 1259 CD2 TYR A 854 0.248 1.325 10.490 1.00 1.32 C ATOM 1260 CE1 TYR A 854 -1.941 2.092 11.982 1.00 1.84 C ATOM 1261 CE2 TYR A 854 -0.557 0.364 11.074 1.00 1.08 C ATOM 1262 CZ TYR A 854 -1.650 0.754 11.820 1.00 1.48 C ATOM 1263 OH TYR A 854 -2.452 -0.197 12.406 1.00 1.82 O ATOM 1264 OXT TYR A 854 0.649 6.691 9.830 1.00 3.18 O ATOM 0 H TYR A 854 1.045 3.194 7.563 1.00 1.85 H new ATOM 0 HA TYR A 854 -0.888 4.641 9.147 1.00 2.27 H new ATOM 0 HB2 TYR A 854 1.735 3.227 9.569 1.00 2.12 H new ATOM 0 HB3 TYR A 854 1.228 4.398 10.771 1.00 2.12 H new ATOM 0 HD1 TYR A 854 -1.366 4.092 11.520 1.00 1.81 H new ATOM 0 HD2 TYR A 854 1.105 1.018 9.909 1.00 1.32 H new ATOM 0 HE1 TYR A 854 -2.797 2.394 12.568 1.00 1.84 H new ATOM 0 HE2 TYR A 854 -0.332 -0.685 10.947 1.00 1.08 H new ATOM 0 HH TYR A 854 -3.243 -0.347 11.847 1.00 1.82 H new TER 1274 TYR A 854