USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=15 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 782 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 850 ASN : amide:sc= -2.32 X(o=-2.3,f=-2.6) USER MOD Set 2.1: A 817 LYS NZ :NH3+ -114:sc= 0.138 (180deg=0) USER MOD Set 2.2: A 854 TYR OH : rot 180:sc= -0.155 USER MOD Set 3.1: A 808 ASN : amide:sc= 0.0167 K(o=-0.97,f=-3!) USER MOD Set 3.2: A 809 ASN :FLIP amide:sc= -0.987 F(o=-1.9!,f=-0.97) USER MOD Single : A 777 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 779 SER OG : rot 180:sc= 0.0569 USER MOD Single : A 787 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 ASN :FLIP amide:sc= -6.89! C(o=-7.6!,f=-6.9!) USER MOD Single : A 796 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 799 ASN :FLIP amide:sc= -1.21 F(o=-2.5!,f=-1.2) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD Single : A 801 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 803 SER OG : rot 180:sc= 0 USER MOD Single : A 804 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 805 THR OG1 : rot 180:sc= 0 USER MOD Single : A 806 HIS : no HD1:sc= -0.241 X(o=-0.24,f=-0.48) USER MOD Single : A 807 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 811 SER OG : rot 180:sc= 0 USER MOD Single : A 814 THR OG1 : rot 180:sc= 0 USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 TYR OH : rot 129:sc= 0.405 USER MOD Single : A 819 GLN : amide:sc= -2.18! C(o=-2.2!,f=-2.4!) USER MOD Single : A 830 SER OG : rot -23:sc= 0.154 USER MOD Single : A 835 ASN : amide:sc= -0.633 X(o=-0.63,f=-0.6) USER MOD Single : A 838 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Single : A 840 MET CE :methyl -142:sc= -0.422 (180deg=-1.42) USER MOD Single : A 844 ASN : amide:sc= -0.834 K(o=-0.83,f=-4.9!) USER MOD Single : A 845 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 775 -3.747 7.247 -4.952 1.00 9.10 N ATOM 2 CA GLY A 775 -4.017 5.988 -4.205 1.00 8.80 C ATOM 3 C GLY A 775 -4.329 6.236 -2.743 1.00 8.11 C ATOM 4 O GLY A 775 -3.431 6.226 -1.900 1.00 8.12 O ATOM 0 HA2 GLY A 775 -4.855 5.467 -4.669 1.00 8.80 H new ATOM 0 HA3 GLY A 775 -3.151 5.331 -4.282 1.00 8.80 H new ATOM 10 N ALA A 776 -5.606 6.463 -2.444 1.00 7.81 N ATOM 11 CA ALA A 776 -6.048 6.718 -1.076 1.00 7.43 C ATOM 12 C ALA A 776 -5.352 7.944 -0.488 1.00 6.66 C ATOM 13 O ALA A 776 -4.568 8.610 -1.162 1.00 6.79 O ATOM 14 CB ALA A 776 -5.802 5.496 -0.201 1.00 8.12 C ATOM 0 H ALA A 776 -6.356 6.475 -3.135 1.00 7.81 H new ATOM 0 HA ALA A 776 -7.119 6.921 -1.102 1.00 7.43 H new ATOM 0 HB1 ALA A 776 -6.137 5.703 0.815 1.00 8.12 H new ATOM 0 HB2 ALA A 776 -6.355 4.646 -0.600 1.00 8.12 H new ATOM 0 HB3 ALA A 776 -4.737 5.264 -0.192 1.00 8.12 H new ATOM 20 N MET A 777 -5.651 8.235 0.774 1.00 6.18 N ATOM 21 CA MET A 777 -5.058 9.380 1.458 1.00 5.71 C ATOM 22 C MET A 777 -3.681 9.030 2.011 1.00 5.06 C ATOM 23 O MET A 777 -2.936 9.906 2.450 1.00 5.55 O ATOM 24 CB MET A 777 -5.971 9.848 2.593 1.00 6.17 C ATOM 25 CG MET A 777 -6.181 11.352 2.625 1.00 6.70 C ATOM 26 SD MET A 777 -7.852 11.808 3.125 1.00 7.49 S ATOM 27 CE MET A 777 -7.692 13.586 3.258 1.00 8.34 C ATOM 0 H MET A 777 -6.301 7.694 1.344 1.00 6.18 H new ATOM 0 HA MET A 777 -4.944 10.187 0.734 1.00 5.71 H new ATOM 0 HB2 MET A 777 -6.939 9.357 2.495 1.00 6.17 H new ATOM 0 HB3 MET A 777 -5.546 9.529 3.545 1.00 6.17 H new ATOM 0 HG2 MET A 777 -5.465 11.801 3.313 1.00 6.70 H new ATOM 0 HG3 MET A 777 -5.976 11.765 1.637 1.00 6.70 H new ATOM 0 HE1 MET A 777 -8.647 14.016 3.561 1.00 8.34 H new ATOM 0 HE2 MET A 777 -6.933 13.828 4.002 1.00 8.34 H new ATOM 0 HE3 MET A 777 -7.398 13.998 2.293 1.00 8.34 H new ATOM 37 N GLY A 778 -3.352 7.742 1.988 1.00 4.25 N ATOM 38 CA GLY A 778 -2.067 7.294 2.493 1.00 3.79 C ATOM 39 C GLY A 778 -2.206 6.406 3.711 1.00 2.65 C ATOM 40 O GLY A 778 -1.323 5.599 4.005 1.00 2.91 O ATOM 0 H GLY A 778 -3.953 7.000 1.628 1.00 4.25 H new ATOM 0 HA2 GLY A 778 -1.540 6.751 1.708 1.00 3.79 H new ATOM 0 HA3 GLY A 778 -1.456 8.161 2.746 1.00 3.79 H new ATOM 44 N SER A 779 -3.321 6.551 4.422 1.00 1.98 N ATOM 45 CA SER A 779 -3.577 5.754 5.615 1.00 1.35 C ATOM 46 C SER A 779 -3.762 4.284 5.253 1.00 1.02 C ATOM 47 O SER A 779 -3.221 3.399 5.916 1.00 1.06 O ATOM 48 CB SER A 779 -4.820 6.270 6.341 1.00 2.12 C ATOM 49 OG SER A 779 -5.013 7.654 6.102 1.00 2.61 O ATOM 0 H SER A 779 -4.061 7.214 4.191 1.00 1.98 H new ATOM 0 HA SER A 779 -2.715 5.844 6.276 1.00 1.35 H new ATOM 0 HB2 SER A 779 -5.697 5.715 6.007 1.00 2.12 H new ATOM 0 HB3 SER A 779 -4.719 6.093 7.412 1.00 2.12 H new ATOM 0 HG SER A 779 -5.815 7.959 6.576 1.00 2.61 H new ATOM 55 N ILE A 780 -4.530 4.031 4.198 1.00 0.79 N ATOM 56 CA ILE A 780 -4.787 2.669 3.746 1.00 0.51 C ATOM 57 C ILE A 780 -4.337 2.477 2.301 1.00 0.46 C ATOM 58 O ILE A 780 -4.157 3.446 1.564 1.00 0.53 O ATOM 59 CB ILE A 780 -6.282 2.307 3.858 1.00 0.43 C ATOM 60 CG1 ILE A 780 -6.926 3.047 5.032 1.00 0.64 C ATOM 61 CG2 ILE A 780 -6.450 0.804 4.016 1.00 0.58 C ATOM 62 CD1 ILE A 780 -8.436 3.105 4.956 1.00 1.22 C ATOM 0 H ILE A 780 -4.986 4.753 3.640 1.00 0.79 H new ATOM 0 HA ILE A 780 -4.213 2.008 4.396 1.00 0.51 H new ATOM 0 HB ILE A 780 -6.784 2.617 2.942 1.00 0.43 H new ATOM 0 HG12 ILE A 780 -6.636 2.558 5.962 1.00 0.64 H new ATOM 0 HG13 ILE A 780 -6.533 4.063 5.070 1.00 0.64 H new ATOM 0 HG21 ILE A 780 -7.510 0.563 4.094 1.00 0.58 H new ATOM 0 HG22 ILE A 780 -6.025 0.297 3.149 1.00 0.58 H new ATOM 0 HG23 ILE A 780 -5.935 0.473 4.918 1.00 0.58 H new ATOM 0 HD11 ILE A 780 -8.823 3.644 5.821 1.00 1.22 H new ATOM 0 HD12 ILE A 780 -8.735 3.620 4.043 1.00 1.22 H new ATOM 0 HD13 ILE A 780 -8.839 2.092 4.949 1.00 1.22 H new ATOM 74 N PHE A 781 -4.161 1.219 1.900 1.00 0.39 N ATOM 75 CA PHE A 781 -3.739 0.900 0.546 1.00 0.36 C ATOM 76 C PHE A 781 -4.450 -0.359 0.070 1.00 0.30 C ATOM 77 O PHE A 781 -3.936 -1.468 0.207 1.00 0.35 O ATOM 78 CB PHE A 781 -2.221 0.709 0.492 1.00 0.41 C ATOM 79 CG PHE A 781 -1.514 1.657 -0.440 1.00 0.45 C ATOM 80 CD1 PHE A 781 -1.935 2.973 -0.554 1.00 0.73 C ATOM 81 CD2 PHE A 781 -0.432 1.236 -1.201 1.00 0.81 C ATOM 82 CE1 PHE A 781 -1.293 3.849 -1.408 1.00 0.80 C ATOM 83 CE2 PHE A 781 0.214 2.109 -2.056 1.00 0.94 C ATOM 84 CZ PHE A 781 -0.198 3.399 -2.164 1.00 0.73 C ATOM 0 H PHE A 781 -4.306 0.406 2.498 1.00 0.39 H new ATOM 0 HA PHE A 781 -4.003 1.727 -0.113 1.00 0.36 H new ATOM 0 HB2 PHE A 781 -1.814 0.833 1.496 1.00 0.41 H new ATOM 0 HB3 PHE A 781 -2.005 -0.314 0.184 1.00 0.41 H new ATOM 0 HD1 PHE A 781 -2.775 3.317 0.032 1.00 0.73 H new ATOM 0 HD2 PHE A 781 -0.091 0.214 -1.124 1.00 0.81 H new ATOM 0 HE1 PHE A 781 -1.630 4.871 -1.494 1.00 0.80 H new ATOM 0 HE2 PHE A 781 1.052 1.763 -2.642 1.00 0.94 H new ATOM 0 HZ PHE A 781 0.315 4.077 -2.830 1.00 0.73 H new ATOM 94 N THR A 782 -5.645 -0.177 -0.471 1.00 0.28 N ATOM 95 CA THR A 782 -6.444 -1.298 -0.951 1.00 0.29 C ATOM 96 C THR A 782 -6.293 -1.482 -2.456 1.00 0.35 C ATOM 97 O THR A 782 -6.625 -0.593 -3.240 1.00 0.52 O ATOM 98 CB THR A 782 -7.934 -1.107 -0.618 1.00 0.41 C ATOM 99 OG1 THR A 782 -8.075 -0.501 0.674 1.00 0.67 O ATOM 100 CG2 THR A 782 -8.669 -2.438 -0.642 1.00 0.44 C ATOM 0 H THR A 782 -6.084 0.736 -0.589 1.00 0.28 H new ATOM 0 HA THR A 782 -6.074 -2.188 -0.442 1.00 0.29 H new ATOM 0 HB THR A 782 -8.371 -0.455 -1.374 1.00 0.41 H new ATOM 0 HG1 THR A 782 -9.026 -0.382 0.877 1.00 0.67 H new ATOM 0 HG21 THR A 782 -9.720 -2.277 -0.404 1.00 0.44 H new ATOM 0 HG22 THR A 782 -8.586 -2.882 -1.634 1.00 0.44 H new ATOM 0 HG23 THR A 782 -8.229 -3.110 0.094 1.00 0.44 H new ATOM 108 N LEU A 783 -5.786 -2.647 -2.847 1.00 0.40 N ATOM 109 CA LEU A 783 -5.580 -2.964 -4.255 1.00 0.56 C ATOM 110 C LEU A 783 -6.183 -4.316 -4.604 1.00 0.58 C ATOM 111 O LEU A 783 -6.916 -4.907 -3.811 1.00 0.99 O ATOM 112 CB LEU A 783 -4.086 -2.983 -4.590 1.00 0.67 C ATOM 113 CG LEU A 783 -3.156 -2.521 -3.467 1.00 0.94 C ATOM 114 CD1 LEU A 783 -2.085 -3.570 -3.200 1.00 1.57 C ATOM 115 CD2 LEU A 783 -2.522 -1.187 -3.826 1.00 1.53 C ATOM 0 H LEU A 783 -5.509 -3.390 -2.205 1.00 0.40 H new ATOM 0 HA LEU A 783 -6.076 -2.190 -4.841 1.00 0.56 H new ATOM 0 HB2 LEU A 783 -3.808 -3.998 -4.875 1.00 0.67 H new ATOM 0 HB3 LEU A 783 -3.918 -2.350 -5.461 1.00 0.67 H new ATOM 0 HG LEU A 783 -3.742 -2.391 -2.557 1.00 0.94 H new ATOM 0 HD11 LEU A 783 -1.431 -3.227 -2.398 1.00 1.57 H new ATOM 0 HD12 LEU A 783 -2.558 -4.507 -2.906 1.00 1.57 H new ATOM 0 HD13 LEU A 783 -1.498 -3.729 -4.104 1.00 1.57 H new ATOM 0 HD21 LEU A 783 -1.862 -0.869 -3.019 1.00 1.53 H new ATOM 0 HD22 LEU A 783 -1.946 -1.294 -4.745 1.00 1.53 H new ATOM 0 HD23 LEU A 783 -3.303 -0.441 -3.972 1.00 1.53 H new ATOM 127 N LEU A 784 -5.845 -4.808 -5.790 1.00 0.27 N ATOM 128 CA LEU A 784 -6.325 -6.102 -6.246 1.00 0.26 C ATOM 129 C LEU A 784 -5.177 -7.106 -6.226 1.00 0.23 C ATOM 130 O LEU A 784 -4.153 -6.907 -6.883 1.00 0.29 O ATOM 131 CB LEU A 784 -6.942 -5.985 -7.644 1.00 0.31 C ATOM 132 CG LEU A 784 -6.434 -6.978 -8.695 1.00 0.51 C ATOM 133 CD1 LEU A 784 -7.415 -8.126 -8.863 1.00 0.81 C ATOM 134 CD2 LEU A 784 -6.203 -6.272 -10.022 1.00 0.75 C ATOM 0 H LEU A 784 -5.238 -4.327 -6.454 1.00 0.27 H new ATOM 0 HA LEU A 784 -7.106 -6.456 -5.574 1.00 0.26 H new ATOM 0 HB2 LEU A 784 -8.021 -6.106 -7.553 1.00 0.31 H new ATOM 0 HB3 LEU A 784 -6.764 -4.975 -8.013 1.00 0.31 H new ATOM 0 HG LEU A 784 -5.484 -7.388 -8.353 1.00 0.51 H new ATOM 0 HD11 LEU A 784 -7.037 -8.821 -9.613 1.00 0.81 H new ATOM 0 HD12 LEU A 784 -7.532 -8.647 -7.913 1.00 0.81 H new ATOM 0 HD13 LEU A 784 -8.381 -7.735 -9.184 1.00 0.81 H new ATOM 0 HD21 LEU A 784 -5.842 -6.990 -10.758 1.00 0.75 H new ATOM 0 HD22 LEU A 784 -7.139 -5.835 -10.370 1.00 0.75 H new ATOM 0 HD23 LEU A 784 -5.462 -5.484 -9.891 1.00 0.75 H new ATOM 146 N VAL A 785 -5.340 -8.166 -5.449 1.00 0.25 N ATOM 147 CA VAL A 785 -4.303 -9.180 -5.323 1.00 0.30 C ATOM 148 C VAL A 785 -4.783 -10.540 -5.821 1.00 0.34 C ATOM 149 O VAL A 785 -5.951 -10.897 -5.664 1.00 0.55 O ATOM 150 CB VAL A 785 -3.838 -9.305 -3.860 1.00 0.39 C ATOM 151 CG1 VAL A 785 -2.775 -10.384 -3.723 1.00 1.11 C ATOM 152 CG2 VAL A 785 -3.322 -7.965 -3.352 1.00 1.18 C ATOM 0 H VAL A 785 -6.178 -8.347 -4.897 1.00 0.25 H new ATOM 0 HA VAL A 785 -3.465 -8.861 -5.943 1.00 0.30 H new ATOM 0 HB VAL A 785 -4.692 -9.597 -3.249 1.00 0.39 H new ATOM 0 HG11 VAL A 785 -2.461 -10.455 -2.682 1.00 1.11 H new ATOM 0 HG12 VAL A 785 -3.185 -11.341 -4.045 1.00 1.11 H new ATOM 0 HG13 VAL A 785 -1.916 -10.130 -4.344 1.00 1.11 H new ATOM 0 HG21 VAL A 785 -2.997 -8.069 -2.317 1.00 1.18 H new ATOM 0 HG22 VAL A 785 -2.481 -7.643 -3.966 1.00 1.18 H new ATOM 0 HG23 VAL A 785 -4.118 -7.223 -3.409 1.00 1.18 H new ATOM 162 N GLU A 786 -3.867 -11.297 -6.420 1.00 0.38 N ATOM 163 CA GLU A 786 -4.185 -12.622 -6.940 1.00 0.42 C ATOM 164 C GLU A 786 -3.837 -13.701 -5.919 1.00 0.46 C ATOM 165 O GLU A 786 -3.162 -13.433 -4.925 1.00 0.48 O ATOM 166 CB GLU A 786 -3.427 -12.876 -8.246 1.00 0.43 C ATOM 167 CG GLU A 786 -4.092 -13.909 -9.144 1.00 0.56 C ATOM 168 CD GLU A 786 -5.438 -13.450 -9.668 1.00 0.75 C ATOM 169 OE1 GLU A 786 -6.440 -13.587 -8.933 1.00 1.40 O ATOM 170 OE2 GLU A 786 -5.492 -12.954 -10.813 1.00 1.02 O ATOM 0 H GLU A 786 -2.897 -11.014 -6.557 1.00 0.38 H new ATOM 0 HA GLU A 786 -5.256 -12.662 -7.137 1.00 0.42 H new ATOM 0 HB2 GLU A 786 -3.335 -11.937 -8.792 1.00 0.43 H new ATOM 0 HB3 GLU A 786 -2.416 -13.208 -8.011 1.00 0.43 H new ATOM 0 HG2 GLU A 786 -3.435 -14.129 -9.986 1.00 0.56 H new ATOM 0 HG3 GLU A 786 -4.221 -14.838 -8.589 1.00 0.56 H new ATOM 177 N LYS A 787 -4.298 -14.922 -6.173 1.00 0.51 N ATOM 178 CA LYS A 787 -4.036 -16.045 -5.279 1.00 0.57 C ATOM 179 C LYS A 787 -2.691 -16.692 -5.594 1.00 0.60 C ATOM 180 O LYS A 787 -2.419 -17.818 -5.179 1.00 1.07 O ATOM 181 CB LYS A 787 -5.151 -17.082 -5.394 1.00 0.64 C ATOM 182 CG LYS A 787 -5.471 -17.477 -6.827 1.00 1.29 C ATOM 183 CD LYS A 787 -6.920 -17.180 -7.175 1.00 1.49 C ATOM 184 CE LYS A 787 -7.654 -18.434 -7.620 1.00 2.24 C ATOM 185 NZ LYS A 787 -8.526 -18.980 -6.541 1.00 2.85 N ATOM 0 H LYS A 787 -4.856 -15.159 -6.993 1.00 0.51 H new ATOM 0 HA LYS A 787 -4.004 -15.664 -4.258 1.00 0.57 H new ATOM 0 HB2 LYS A 787 -4.865 -17.973 -4.836 1.00 0.64 H new ATOM 0 HB3 LYS A 787 -6.052 -16.687 -4.925 1.00 0.64 H new ATOM 0 HG2 LYS A 787 -4.814 -16.938 -7.510 1.00 1.29 H new ATOM 0 HG3 LYS A 787 -5.273 -18.540 -6.966 1.00 1.29 H new ATOM 0 HD2 LYS A 787 -7.423 -16.751 -6.308 1.00 1.49 H new ATOM 0 HD3 LYS A 787 -6.959 -16.433 -7.968 1.00 1.49 H new ATOM 0 HE2 LYS A 787 -8.260 -18.208 -8.497 1.00 2.24 H new ATOM 0 HE3 LYS A 787 -6.930 -19.192 -7.920 1.00 2.24 H new ATOM 0 HZ1 LYS A 787 -9.009 -19.835 -6.884 1.00 2.85 H new ATOM 0 HZ2 LYS A 787 -7.945 -19.220 -5.713 1.00 2.85 H new ATOM 0 HZ3 LYS A 787 -9.234 -18.267 -6.272 1.00 2.85 H new ATOM 199 N VAL A 788 -1.860 -15.972 -6.336 1.00 0.29 N ATOM 200 CA VAL A 788 -0.543 -16.468 -6.721 1.00 0.29 C ATOM 201 C VAL A 788 0.562 -15.541 -6.220 1.00 0.26 C ATOM 202 O VAL A 788 1.698 -15.967 -6.010 1.00 0.29 O ATOM 203 CB VAL A 788 -0.432 -16.607 -8.254 1.00 0.32 C ATOM 204 CG1 VAL A 788 -0.888 -15.328 -8.940 1.00 0.31 C ATOM 205 CG2 VAL A 788 0.988 -16.962 -8.668 1.00 0.33 C ATOM 0 H VAL A 788 -2.075 -15.038 -6.685 1.00 0.29 H new ATOM 0 HA VAL A 788 -0.420 -17.449 -6.262 1.00 0.29 H new ATOM 0 HB VAL A 788 -1.087 -17.420 -8.569 1.00 0.32 H new ATOM 0 HG11 VAL A 788 -0.803 -15.444 -10.020 1.00 0.31 H new ATOM 0 HG12 VAL A 788 -1.926 -15.125 -8.678 1.00 0.31 H new ATOM 0 HG13 VAL A 788 -0.262 -14.497 -8.614 1.00 0.31 H new ATOM 0 HG21 VAL A 788 1.038 -17.054 -9.753 1.00 0.33 H new ATOM 0 HG22 VAL A 788 1.670 -16.178 -8.338 1.00 0.33 H new ATOM 0 HG23 VAL A 788 1.275 -17.909 -8.210 1.00 0.33 H new ATOM 215 N TRP A 789 0.220 -14.270 -6.038 1.00 0.21 N ATOM 216 CA TRP A 789 1.178 -13.271 -5.574 1.00 0.18 C ATOM 217 C TRP A 789 1.882 -13.703 -4.296 1.00 0.18 C ATOM 218 O TRP A 789 1.244 -13.908 -3.264 1.00 0.19 O ATOM 219 CB TRP A 789 0.479 -11.936 -5.330 1.00 0.18 C ATOM 220 CG TRP A 789 0.130 -11.212 -6.591 1.00 0.20 C ATOM 221 CD1 TRP A 789 0.193 -11.707 -7.862 1.00 0.22 C ATOM 222 CD2 TRP A 789 -0.326 -9.862 -6.705 1.00 0.22 C ATOM 223 NE1 TRP A 789 -0.198 -10.747 -8.758 1.00 0.25 N ATOM 224 CE2 TRP A 789 -0.523 -9.604 -8.073 1.00 0.25 C ATOM 225 CE3 TRP A 789 -0.588 -8.847 -5.781 1.00 0.24 C ATOM 226 CZ2 TRP A 789 -0.971 -8.369 -8.540 1.00 0.28 C ATOM 227 CZ3 TRP A 789 -1.032 -7.624 -6.242 1.00 0.28 C ATOM 228 CH2 TRP A 789 -1.221 -7.394 -7.612 1.00 0.30 C ATOM 0 H TRP A 789 -0.718 -13.905 -6.205 1.00 0.21 H new ATOM 0 HA TRP A 789 1.927 -13.163 -6.358 1.00 0.18 H new ATOM 0 HB2 TRP A 789 -0.431 -12.110 -4.755 1.00 0.18 H new ATOM 0 HB3 TRP A 789 1.124 -11.302 -4.722 1.00 0.18 H new ATOM 0 HD1 TRP A 789 0.505 -12.708 -8.123 1.00 0.22 H new ATOM 0 HE1 TRP A 789 -0.241 -10.863 -9.770 1.00 0.25 H new ATOM 0 HE3 TRP A 789 -0.446 -9.017 -4.724 1.00 0.24 H new ATOM 0 HZ2 TRP A 789 -1.115 -8.188 -9.595 1.00 0.28 H new ATOM 0 HZ3 TRP A 789 -1.237 -6.832 -5.537 1.00 0.28 H new ATOM 0 HH2 TRP A 789 -1.571 -6.427 -7.942 1.00 0.30 H new ATOM 239 N ASN A 790 3.202 -13.802 -4.365 1.00 0.18 N ATOM 240 CA ASN A 790 3.998 -14.164 -3.203 1.00 0.20 C ATOM 241 C ASN A 790 4.471 -12.885 -2.522 1.00 0.18 C ATOM 242 O ASN A 790 4.453 -11.825 -3.137 1.00 0.20 O ATOM 243 CB ASN A 790 5.180 -15.049 -3.620 1.00 0.24 C ATOM 244 CG ASN A 790 6.478 -14.284 -3.778 1.00 0.93 C ATOM 245 OD1 ASN A 790 6.652 -13.651 -4.931 1.00 1.89 O flip ATOM 246 ND2 ASN A 790 7.320 -14.276 -2.880 1.00 0.77 N flip ATOM 0 H ASN A 790 3.743 -13.637 -5.214 1.00 0.18 H new ATOM 0 HA ASN A 790 3.397 -14.740 -2.500 1.00 0.20 H new ATOM 0 HB2 ASN A 790 5.317 -15.833 -2.876 1.00 0.24 H new ATOM 0 HB3 ASN A 790 4.940 -15.542 -4.562 1.00 0.24 H new ATOM 0 HD21 ASN A 790 7.142 -14.778 -2.010 1.00 0.77 H new ATOM 0 HD22 ASN A 790 8.195 -13.768 -3.006 1.00 0.77 H new ATOM 253 N PHE A 791 4.861 -12.973 -1.254 1.00 0.20 N ATOM 254 CA PHE A 791 5.303 -11.791 -0.509 1.00 0.20 C ATOM 255 C PHE A 791 6.243 -10.931 -1.345 1.00 0.16 C ATOM 256 O PHE A 791 6.215 -9.702 -1.254 1.00 0.17 O ATOM 257 CB PHE A 791 5.983 -12.202 0.798 1.00 0.26 C ATOM 258 CG PHE A 791 6.361 -11.041 1.674 1.00 0.35 C ATOM 259 CD1 PHE A 791 5.402 -10.385 2.427 1.00 0.44 C ATOM 260 CD2 PHE A 791 7.675 -10.607 1.743 1.00 0.47 C ATOM 261 CE1 PHE A 791 5.745 -9.316 3.233 1.00 0.57 C ATOM 262 CE2 PHE A 791 8.026 -9.538 2.546 1.00 0.59 C ATOM 263 CZ PHE A 791 7.059 -8.892 3.293 1.00 0.63 C ATOM 0 H PHE A 791 4.881 -13.842 -0.721 1.00 0.20 H new ATOM 0 HA PHE A 791 4.420 -11.197 -0.274 1.00 0.20 H new ATOM 0 HB2 PHE A 791 5.316 -12.862 1.352 1.00 0.26 H new ATOM 0 HB3 PHE A 791 6.879 -12.777 0.566 1.00 0.26 H new ATOM 0 HD1 PHE A 791 4.374 -10.713 2.384 1.00 0.44 H new ATOM 0 HD2 PHE A 791 8.434 -11.110 1.162 1.00 0.47 H new ATOM 0 HE1 PHE A 791 4.987 -8.813 3.815 1.00 0.57 H new ATOM 0 HE2 PHE A 791 9.054 -9.208 2.590 1.00 0.59 H new ATOM 0 HZ PHE A 791 7.330 -8.057 3.923 1.00 0.63 H new ATOM 273 N ASP A 792 7.056 -11.574 -2.169 1.00 0.17 N ATOM 274 CA ASP A 792 7.979 -10.852 -3.031 1.00 0.17 C ATOM 275 C ASP A 792 7.203 -10.094 -4.100 1.00 0.16 C ATOM 276 O ASP A 792 7.391 -8.892 -4.278 1.00 0.19 O ATOM 277 CB ASP A 792 8.972 -11.815 -3.682 1.00 0.22 C ATOM 278 CG ASP A 792 10.041 -11.093 -4.479 1.00 1.17 C ATOM 279 OD1 ASP A 792 10.683 -10.179 -3.918 1.00 1.47 O ATOM 280 OD2 ASP A 792 10.236 -11.441 -5.663 1.00 2.05 O ATOM 0 H ASP A 792 7.096 -12.589 -2.259 1.00 0.17 H new ATOM 0 HA ASP A 792 8.539 -10.140 -2.425 1.00 0.17 H new ATOM 0 HB2 ASP A 792 9.446 -12.421 -2.910 1.00 0.22 H new ATOM 0 HB3 ASP A 792 8.434 -12.499 -4.338 1.00 0.22 H new ATOM 285 N ASP A 793 6.313 -10.804 -4.796 1.00 0.17 N ATOM 286 CA ASP A 793 5.493 -10.195 -5.836 1.00 0.18 C ATOM 287 C ASP A 793 4.616 -9.098 -5.244 1.00 0.17 C ATOM 288 O ASP A 793 4.310 -8.104 -5.903 1.00 0.24 O ATOM 289 CB ASP A 793 4.623 -11.253 -6.515 1.00 0.19 C ATOM 290 CG ASP A 793 4.553 -11.071 -8.018 1.00 0.56 C ATOM 291 OD1 ASP A 793 5.624 -10.984 -8.656 1.00 1.04 O ATOM 292 OD2 ASP A 793 3.428 -11.011 -8.558 1.00 1.07 O ATOM 0 H ASP A 793 6.144 -11.800 -4.656 1.00 0.17 H new ATOM 0 HA ASP A 793 6.153 -9.753 -6.582 1.00 0.18 H new ATOM 0 HB2 ASP A 793 5.019 -12.243 -6.290 1.00 0.19 H new ATOM 0 HB3 ASP A 793 3.616 -11.211 -6.100 1.00 0.19 H new ATOM 297 N LEU A 794 4.225 -9.289 -3.988 1.00 0.14 N ATOM 298 CA LEU A 794 3.393 -8.323 -3.286 1.00 0.15 C ATOM 299 C LEU A 794 4.150 -7.017 -3.097 1.00 0.15 C ATOM 300 O LEU A 794 3.666 -5.945 -3.461 1.00 0.17 O ATOM 301 CB LEU A 794 2.963 -8.872 -1.921 1.00 0.19 C ATOM 302 CG LEU A 794 1.903 -8.045 -1.199 1.00 0.26 C ATOM 303 CD1 LEU A 794 0.625 -7.965 -2.024 1.00 0.93 C ATOM 304 CD2 LEU A 794 1.620 -8.623 0.179 1.00 0.70 C ATOM 0 H LEU A 794 4.474 -10.109 -3.435 1.00 0.14 H new ATOM 0 HA LEU A 794 2.503 -8.138 -3.887 1.00 0.15 H new ATOM 0 HB2 LEU A 794 2.582 -9.884 -2.057 1.00 0.19 H new ATOM 0 HB3 LEU A 794 3.843 -8.945 -1.282 1.00 0.19 H new ATOM 0 HG LEU A 794 2.288 -7.033 -1.073 1.00 0.26 H new ATOM 0 HD11 LEU A 794 -0.116 -7.371 -1.490 1.00 0.93 H new ATOM 0 HD12 LEU A 794 0.841 -7.498 -2.985 1.00 0.93 H new ATOM 0 HD13 LEU A 794 0.235 -8.969 -2.189 1.00 0.93 H new ATOM 0 HD21 LEU A 794 0.862 -8.020 0.678 1.00 0.70 H new ATOM 0 HD22 LEU A 794 1.260 -9.647 0.077 1.00 0.70 H new ATOM 0 HD23 LEU A 794 2.535 -8.618 0.771 1.00 0.70 H new ATOM 316 N ILE A 795 5.344 -7.125 -2.527 1.00 0.19 N ATOM 317 CA ILE A 795 6.188 -5.965 -2.284 1.00 0.22 C ATOM 318 C ILE A 795 6.414 -5.169 -3.565 1.00 0.21 C ATOM 319 O ILE A 795 6.601 -3.959 -3.518 1.00 0.23 O ATOM 320 CB ILE A 795 7.540 -6.380 -1.675 1.00 0.26 C ATOM 321 CG1 ILE A 795 7.338 -6.930 -0.260 1.00 0.30 C ATOM 322 CG2 ILE A 795 8.520 -5.212 -1.662 1.00 0.28 C ATOM 323 CD1 ILE A 795 6.731 -5.930 0.705 1.00 0.32 C ATOM 0 H ILE A 795 5.750 -8.010 -2.223 1.00 0.19 H new ATOM 0 HA ILE A 795 5.667 -5.328 -1.569 1.00 0.22 H new ATOM 0 HB ILE A 795 7.966 -7.166 -2.299 1.00 0.26 H new ATOM 0 HG12 ILE A 795 6.695 -7.809 -0.310 1.00 0.30 H new ATOM 0 HG13 ILE A 795 8.300 -7.261 0.132 1.00 0.30 H new ATOM 0 HG21 ILE A 795 9.465 -5.535 -1.226 1.00 0.28 H new ATOM 0 HG22 ILE A 795 8.689 -4.868 -2.682 1.00 0.28 H new ATOM 0 HG23 ILE A 795 8.107 -4.397 -1.068 1.00 0.28 H new ATOM 0 HD11 ILE A 795 6.619 -6.393 1.686 1.00 0.32 H new ATOM 0 HD12 ILE A 795 7.384 -5.061 0.786 1.00 0.32 H new ATOM 0 HD13 ILE A 795 5.754 -5.617 0.338 1.00 0.32 H new ATOM 335 N MET A 796 6.381 -5.848 -4.709 1.00 0.23 N ATOM 336 CA MET A 796 6.571 -5.177 -5.992 1.00 0.26 C ATOM 337 C MET A 796 5.401 -4.246 -6.284 1.00 0.23 C ATOM 338 O MET A 796 5.596 -3.074 -6.607 1.00 0.22 O ATOM 339 CB MET A 796 6.715 -6.198 -7.124 1.00 0.36 C ATOM 340 CG MET A 796 7.551 -7.407 -6.751 1.00 0.46 C ATOM 341 SD MET A 796 7.841 -8.508 -8.149 1.00 0.67 S ATOM 342 CE MET A 796 9.596 -8.268 -8.413 1.00 1.53 C ATOM 0 H MET A 796 6.226 -6.854 -4.774 1.00 0.23 H new ATOM 0 HA MET A 796 7.487 -4.590 -5.932 1.00 0.26 H new ATOM 0 HB2 MET A 796 5.723 -6.533 -7.428 1.00 0.36 H new ATOM 0 HB3 MET A 796 7.165 -5.709 -7.988 1.00 0.36 H new ATOM 0 HG2 MET A 796 8.509 -7.073 -6.352 1.00 0.46 H new ATOM 0 HG3 MET A 796 7.050 -7.959 -5.956 1.00 0.46 H new ATOM 0 HE1 MET A 796 9.926 -8.885 -9.249 1.00 1.53 H new ATOM 0 HE2 MET A 796 9.790 -7.219 -8.637 1.00 1.53 H new ATOM 0 HE3 MET A 796 10.142 -8.554 -7.514 1.00 1.53 H new ATOM 352 N ALA A 797 4.183 -4.774 -6.161 1.00 0.26 N ATOM 353 CA ALA A 797 2.983 -3.982 -6.402 1.00 0.30 C ATOM 354 C ALA A 797 2.995 -2.734 -5.531 1.00 0.28 C ATOM 355 O ALA A 797 2.882 -1.613 -6.026 1.00 0.30 O ATOM 356 CB ALA A 797 1.736 -4.811 -6.134 1.00 0.38 C ATOM 0 H ALA A 797 4.004 -5.743 -5.897 1.00 0.26 H new ATOM 0 HA ALA A 797 2.970 -3.675 -7.448 1.00 0.30 H new ATOM 0 HB1 ALA A 797 0.849 -4.205 -6.319 1.00 0.38 H new ATOM 0 HB2 ALA A 797 1.727 -5.678 -6.794 1.00 0.38 H new ATOM 0 HB3 ALA A 797 1.737 -5.145 -5.096 1.00 0.38 H new ATOM 362 N ILE A 798 3.151 -2.941 -4.226 1.00 0.27 N ATOM 363 CA ILE A 798 3.202 -1.842 -3.277 1.00 0.31 C ATOM 364 C ILE A 798 4.314 -0.871 -3.649 1.00 0.29 C ATOM 365 O ILE A 798 4.098 0.337 -3.742 1.00 0.33 O ATOM 366 CB ILE A 798 3.442 -2.353 -1.846 1.00 0.35 C ATOM 367 CG1 ILE A 798 2.224 -3.137 -1.356 1.00 0.40 C ATOM 368 CG2 ILE A 798 3.760 -1.190 -0.913 1.00 0.42 C ATOM 369 CD1 ILE A 798 2.383 -3.708 0.039 1.00 0.50 C ATOM 0 H ILE A 798 3.244 -3.865 -3.804 1.00 0.27 H new ATOM 0 HA ILE A 798 2.239 -1.332 -3.314 1.00 0.31 H new ATOM 0 HB ILE A 798 4.300 -3.025 -1.849 1.00 0.35 H new ATOM 0 HG12 ILE A 798 1.352 -2.483 -1.373 1.00 0.40 H new ATOM 0 HG13 ILE A 798 2.025 -3.952 -2.051 1.00 0.40 H new ATOM 0 HG21 ILE A 798 3.927 -1.568 0.096 1.00 0.42 H new ATOM 0 HG22 ILE A 798 4.657 -0.678 -1.262 1.00 0.42 H new ATOM 0 HG23 ILE A 798 2.924 -0.491 -0.905 1.00 0.42 H new ATOM 0 HD11 ILE A 798 1.479 -4.250 0.316 1.00 0.50 H new ATOM 0 HD12 ILE A 798 3.234 -4.389 0.059 1.00 0.50 H new ATOM 0 HD13 ILE A 798 2.551 -2.897 0.747 1.00 0.50 H new ATOM 381 N ASN A 799 5.506 -1.418 -3.856 1.00 0.25 N ATOM 382 CA ASN A 799 6.670 -0.618 -4.214 1.00 0.29 C ATOM 383 C ASN A 799 6.413 0.202 -5.474 1.00 0.27 C ATOM 384 O ASN A 799 7.017 1.256 -5.673 1.00 0.36 O ATOM 385 CB ASN A 799 7.886 -1.518 -4.425 1.00 0.30 C ATOM 386 CG ASN A 799 9.131 -0.983 -3.747 1.00 0.38 C ATOM 387 OD1 ASN A 799 9.320 -1.349 -2.484 1.00 0.81 O flip ATOM 388 ND2 ASN A 799 9.915 -0.252 -4.351 1.00 0.78 N flip ATOM 0 H ASN A 799 5.692 -2.418 -3.781 1.00 0.25 H new ATOM 0 HA ASN A 799 6.866 0.070 -3.391 1.00 0.29 H new ATOM 0 HB2 ASN A 799 7.667 -2.514 -4.041 1.00 0.30 H new ATOM 0 HB3 ASN A 799 8.075 -1.623 -5.493 1.00 0.30 H new ATOM 0 HD21 ASN A 799 9.730 0.004 -5.321 1.00 0.78 H new ATOM 0 HD22 ASN A 799 10.750 0.098 -3.882 1.00 0.78 H new ATOM 395 N SER A 800 5.515 -0.287 -6.324 1.00 0.22 N ATOM 396 CA SER A 800 5.184 0.401 -7.565 1.00 0.25 C ATOM 397 C SER A 800 4.213 1.551 -7.316 1.00 0.28 C ATOM 398 O SER A 800 4.154 2.504 -8.094 1.00 0.33 O ATOM 399 CB SER A 800 4.581 -0.582 -8.571 1.00 0.28 C ATOM 400 OG SER A 800 5.522 -0.929 -9.572 1.00 0.98 O ATOM 0 H SER A 800 5.004 -1.157 -6.175 1.00 0.22 H new ATOM 0 HA SER A 800 6.105 0.815 -7.975 1.00 0.25 H new ATOM 0 HB2 SER A 800 4.250 -1.481 -8.052 1.00 0.28 H new ATOM 0 HB3 SER A 800 3.700 -0.138 -9.034 1.00 0.28 H new ATOM 0 HG SER A 800 5.113 -1.559 -10.201 1.00 0.98 H new ATOM 406 N LYS A 801 3.452 1.455 -6.232 1.00 0.30 N ATOM 407 CA LYS A 801 2.481 2.487 -5.887 1.00 0.37 C ATOM 408 C LYS A 801 3.023 3.421 -4.810 1.00 0.40 C ATOM 409 O LYS A 801 2.394 4.426 -4.478 1.00 0.49 O ATOM 410 CB LYS A 801 1.177 1.848 -5.410 1.00 0.42 C ATOM 411 CG LYS A 801 -0.005 2.121 -6.327 1.00 0.67 C ATOM 412 CD LYS A 801 -0.317 0.921 -7.205 1.00 1.05 C ATOM 413 CE LYS A 801 -1.067 1.329 -8.461 1.00 1.43 C ATOM 414 NZ LYS A 801 -0.960 0.299 -9.530 1.00 2.25 N ATOM 0 H LYS A 801 3.488 0.674 -5.577 1.00 0.30 H new ATOM 0 HA LYS A 801 2.288 3.076 -6.784 1.00 0.37 H new ATOM 0 HB2 LYS A 801 1.320 0.771 -5.326 1.00 0.42 H new ATOM 0 HB3 LYS A 801 0.945 2.218 -4.411 1.00 0.42 H new ATOM 0 HG2 LYS A 801 -0.881 2.373 -5.729 1.00 0.67 H new ATOM 0 HG3 LYS A 801 0.212 2.986 -6.954 1.00 0.67 H new ATOM 0 HD2 LYS A 801 0.611 0.420 -7.481 1.00 1.05 H new ATOM 0 HD3 LYS A 801 -0.912 0.202 -6.642 1.00 1.05 H new ATOM 0 HE2 LYS A 801 -2.117 1.494 -8.219 1.00 1.43 H new ATOM 0 HE3 LYS A 801 -0.672 2.276 -8.828 1.00 1.43 H new ATOM 0 HZ1 LYS A 801 -1.485 0.615 -10.370 1.00 2.25 H new ATOM 0 HZ2 LYS A 801 0.040 0.160 -9.779 1.00 2.25 H new ATOM 0 HZ3 LYS A 801 -1.360 -0.598 -9.189 1.00 2.25 H new ATOM 428 N ILE A 802 4.190 3.087 -4.264 1.00 0.39 N ATOM 429 CA ILE A 802 4.804 3.902 -3.222 1.00 0.45 C ATOM 430 C ILE A 802 6.038 4.632 -3.741 1.00 0.50 C ATOM 431 O ILE A 802 6.346 5.740 -3.301 1.00 0.60 O ATOM 432 CB ILE A 802 5.200 3.052 -1.999 1.00 0.47 C ATOM 433 CG1 ILE A 802 6.247 2.012 -2.385 1.00 0.42 C ATOM 434 CG2 ILE A 802 3.976 2.382 -1.395 1.00 0.49 C ATOM 435 CD1 ILE A 802 7.606 2.268 -1.771 1.00 0.75 C ATOM 0 H ILE A 802 4.727 2.260 -4.526 1.00 0.39 H new ATOM 0 HA ILE A 802 4.056 4.634 -2.919 1.00 0.45 H new ATOM 0 HB ILE A 802 5.634 3.712 -1.248 1.00 0.47 H new ATOM 0 HG12 ILE A 802 5.898 1.026 -2.078 1.00 0.42 H new ATOM 0 HG13 ILE A 802 6.345 1.992 -3.470 1.00 0.42 H new ATOM 0 HG21 ILE A 802 4.276 1.786 -0.533 1.00 0.49 H new ATOM 0 HG22 ILE A 802 3.263 3.144 -1.080 1.00 0.49 H new ATOM 0 HG23 ILE A 802 3.511 1.735 -2.139 1.00 0.49 H new ATOM 0 HD11 ILE A 802 8.301 1.490 -2.088 1.00 0.75 H new ATOM 0 HD12 ILE A 802 7.976 3.240 -2.098 1.00 0.75 H new ATOM 0 HD13 ILE A 802 7.522 2.258 -0.684 1.00 0.75 H new ATOM 447 N SER A 803 6.747 4.004 -4.677 1.00 0.45 N ATOM 448 CA SER A 803 7.950 4.598 -5.250 1.00 0.53 C ATOM 449 C SER A 803 8.193 4.087 -6.669 1.00 0.61 C ATOM 450 O SER A 803 9.022 3.202 -6.886 1.00 1.19 O ATOM 451 CB SER A 803 9.163 4.291 -4.368 1.00 0.60 C ATOM 452 OG SER A 803 10.114 5.341 -4.423 1.00 1.53 O ATOM 0 H SER A 803 6.509 3.086 -5.053 1.00 0.45 H new ATOM 0 HA SER A 803 7.805 5.677 -5.296 1.00 0.53 H new ATOM 0 HB2 SER A 803 8.839 4.143 -3.338 1.00 0.60 H new ATOM 0 HB3 SER A 803 9.626 3.359 -4.693 1.00 0.60 H new ATOM 0 HG SER A 803 10.878 5.121 -3.850 1.00 1.53 H new ATOM 458 N ASN A 804 7.466 4.653 -7.630 1.00 0.84 N ATOM 459 CA ASN A 804 7.605 4.258 -9.027 1.00 0.93 C ATOM 460 C ASN A 804 6.854 5.218 -9.945 1.00 1.53 C ATOM 461 O ASN A 804 5.662 5.045 -10.200 1.00 2.42 O ATOM 462 CB ASN A 804 7.090 2.831 -9.233 1.00 1.40 C ATOM 463 CG ASN A 804 8.088 1.958 -9.967 1.00 2.04 C ATOM 464 OD1 ASN A 804 8.411 2.206 -11.129 1.00 2.43 O ATOM 465 ND2 ASN A 804 8.582 0.929 -9.290 1.00 2.83 N ATOM 0 H ASN A 804 6.776 5.386 -7.466 1.00 0.84 H new ATOM 0 HA ASN A 804 8.664 4.295 -9.281 1.00 0.93 H new ATOM 0 HB2 ASN A 804 6.865 2.385 -8.264 1.00 1.40 H new ATOM 0 HB3 ASN A 804 6.156 2.862 -9.794 1.00 1.40 H new ATOM 0 HD21 ASN A 804 9.258 0.306 -9.731 1.00 2.83 H new ATOM 0 HD22 ASN A 804 8.286 0.762 -8.328 1.00 2.83 H new ATOM 472 N THR A 805 7.561 6.230 -10.440 1.00 1.86 N ATOM 473 CA THR A 805 6.967 7.218 -11.332 1.00 2.72 C ATOM 474 C THR A 805 8.037 7.913 -12.167 1.00 3.19 C ATOM 475 O THR A 805 8.122 7.708 -13.379 1.00 3.83 O ATOM 476 CB THR A 805 6.174 8.281 -10.548 1.00 3.49 C ATOM 477 OG1 THR A 805 6.610 8.310 -9.184 1.00 3.73 O ATOM 478 CG2 THR A 805 4.681 7.990 -10.602 1.00 4.20 C ATOM 0 H THR A 805 8.548 6.387 -10.237 1.00 1.86 H new ATOM 0 HA THR A 805 6.284 6.681 -11.990 1.00 2.72 H new ATOM 0 HB THR A 805 6.356 9.252 -11.008 1.00 3.49 H new ATOM 0 HG1 THR A 805 6.102 8.989 -8.693 1.00 3.73 H new ATOM 0 HG21 THR A 805 4.141 8.753 -10.042 1.00 4.20 H new ATOM 0 HG22 THR A 805 4.346 7.996 -11.639 1.00 4.20 H new ATOM 0 HG23 THR A 805 4.485 7.011 -10.164 1.00 4.20 H new ATOM 486 N HIS A 806 8.853 8.731 -11.512 1.00 3.41 N ATOM 487 CA HIS A 806 9.922 9.454 -12.192 1.00 4.17 C ATOM 488 C HIS A 806 11.287 8.982 -11.703 1.00 4.02 C ATOM 489 O HIS A 806 11.526 8.888 -10.498 1.00 4.30 O ATOM 490 CB HIS A 806 9.777 10.959 -11.965 1.00 5.13 C ATOM 491 CG HIS A 806 9.978 11.771 -13.207 1.00 6.08 C ATOM 492 ND1 HIS A 806 10.586 11.275 -14.342 1.00 6.75 N ATOM 493 CD2 HIS A 806 9.647 13.053 -13.492 1.00 6.77 C ATOM 494 CE1 HIS A 806 10.621 12.216 -15.269 1.00 7.67 C ATOM 495 NE2 HIS A 806 10.057 13.304 -14.778 1.00 7.69 N ATOM 0 H HIS A 806 8.795 8.910 -10.510 1.00 3.41 H new ATOM 0 HA HIS A 806 9.845 9.249 -13.260 1.00 4.17 H new ATOM 0 HB2 HIS A 806 8.785 11.164 -11.563 1.00 5.13 H new ATOM 0 HB3 HIS A 806 10.498 11.276 -11.212 1.00 5.13 H new ATOM 0 HD2 HIS A 806 9.152 13.749 -12.830 1.00 6.77 H new ATOM 0 HE1 HIS A 806 11.040 12.113 -16.259 1.00 7.67 H new ATOM 0 HE2 HIS A 806 9.944 14.188 -15.274 1.00 7.69 H new ATOM 504 N ASN A 807 12.177 8.685 -12.646 1.00 4.10 N ATOM 505 CA ASN A 807 13.522 8.218 -12.318 1.00 4.41 C ATOM 506 C ASN A 807 13.469 6.944 -11.481 1.00 4.33 C ATOM 507 O ASN A 807 12.412 6.329 -11.333 1.00 4.37 O ATOM 508 CB ASN A 807 14.295 9.306 -11.567 1.00 4.84 C ATOM 509 CG ASN A 807 14.926 10.318 -12.504 1.00 5.63 C ATOM 510 OD1 ASN A 807 14.338 11.357 -12.802 1.00 6.02 O ATOM 511 ND2 ASN A 807 16.131 10.017 -12.974 1.00 6.22 N ATOM 0 H ASN A 807 11.991 8.760 -13.646 1.00 4.10 H new ATOM 0 HA ASN A 807 14.038 7.995 -13.252 1.00 4.41 H new ATOM 0 HB2 ASN A 807 13.621 9.820 -10.882 1.00 4.84 H new ATOM 0 HB3 ASN A 807 15.073 8.842 -10.960 1.00 4.84 H new ATOM 0 HD21 ASN A 807 16.606 10.659 -13.609 1.00 6.22 H new ATOM 0 HD22 ASN A 807 16.582 9.144 -12.700 1.00 6.22 H new ATOM 518 N ASN A 808 14.617 6.552 -10.937 1.00 4.61 N ATOM 519 CA ASN A 808 14.704 5.350 -10.116 1.00 4.89 C ATOM 520 C ASN A 808 14.060 5.574 -8.752 1.00 4.54 C ATOM 521 O ASN A 808 13.559 6.660 -8.460 1.00 4.85 O ATOM 522 CB ASN A 808 16.166 4.934 -9.938 1.00 5.45 C ATOM 523 CG ASN A 808 16.380 3.449 -10.168 1.00 6.15 C ATOM 524 OD1 ASN A 808 15.488 2.636 -9.919 1.00 6.37 O ATOM 525 ND2 ASN A 808 17.565 3.090 -10.644 1.00 6.83 N ATOM 0 H ASN A 808 15.500 7.050 -11.050 1.00 4.61 H new ATOM 0 HA ASN A 808 14.164 4.552 -10.627 1.00 4.89 H new ATOM 0 HB2 ASN A 808 16.788 5.499 -10.632 1.00 5.45 H new ATOM 0 HB3 ASN A 808 16.494 5.194 -8.932 1.00 5.45 H new ATOM 0 HD21 ASN A 808 17.768 2.106 -10.819 1.00 6.83 H new ATOM 0 HD22 ASN A 808 18.274 3.798 -10.836 1.00 6.83 H new ATOM 532 N ASN A 809 14.079 4.537 -7.920 1.00 4.24 N ATOM 533 CA ASN A 809 13.500 4.615 -6.584 1.00 4.01 C ATOM 534 C ASN A 809 14.439 5.340 -5.625 1.00 3.02 C ATOM 535 O ASN A 809 15.657 5.160 -5.680 1.00 3.13 O ATOM 536 CB ASN A 809 13.197 3.211 -6.058 1.00 4.74 C ATOM 537 CG ASN A 809 14.450 2.373 -5.901 1.00 5.63 C ATOM 538 OD1 ASN A 809 15.018 1.939 -7.022 1.00 5.91 O flip ATOM 539 ND2 ASN A 809 14.905 2.118 -4.786 1.00 6.41 N flip ATOM 0 H ASN A 809 14.490 3.632 -8.148 1.00 4.24 H new ATOM 0 HA ASN A 809 12.571 5.181 -6.648 1.00 4.01 H new ATOM 0 HB2 ASN A 809 12.691 3.287 -5.096 1.00 4.74 H new ATOM 0 HB3 ASN A 809 12.511 2.710 -6.741 1.00 4.74 H new ATOM 0 HD21 ASN A 809 14.437 2.471 -3.951 1.00 6.41 H new ATOM 0 HD22 ASN A 809 15.750 1.553 -4.697 1.00 6.41 H new ATOM 546 N ILE A 810 13.866 6.156 -4.746 1.00 2.60 N ATOM 547 CA ILE A 810 14.651 6.908 -3.774 1.00 2.14 C ATOM 548 C ILE A 810 14.859 6.101 -2.497 1.00 1.67 C ATOM 549 O ILE A 810 15.989 5.788 -2.123 1.00 2.29 O ATOM 550 CB ILE A 810 13.974 8.244 -3.415 1.00 3.00 C ATOM 551 CG1 ILE A 810 13.506 8.963 -4.685 1.00 3.79 C ATOM 552 CG2 ILE A 810 14.928 9.128 -2.624 1.00 3.71 C ATOM 553 CD1 ILE A 810 12.086 9.477 -4.598 1.00 4.78 C ATOM 0 H ILE A 810 12.860 6.313 -4.687 1.00 2.60 H new ATOM 0 HA ILE A 810 15.616 7.112 -4.237 1.00 2.14 H new ATOM 0 HB ILE A 810 13.103 8.035 -2.794 1.00 3.00 H new ATOM 0 HG12 ILE A 810 14.175 9.799 -4.887 1.00 3.79 H new ATOM 0 HG13 ILE A 810 13.586 8.280 -5.530 1.00 3.79 H new ATOM 0 HG21 ILE A 810 14.434 10.068 -2.378 1.00 3.71 H new ATOM 0 HG22 ILE A 810 15.218 8.619 -1.705 1.00 3.71 H new ATOM 0 HG23 ILE A 810 15.817 9.331 -3.222 1.00 3.71 H new ATOM 0 HD11 ILE A 810 11.821 9.975 -5.531 1.00 4.78 H new ATOM 0 HD12 ILE A 810 11.407 8.642 -4.427 1.00 4.78 H new ATOM 0 HD13 ILE A 810 12.005 10.185 -3.774 1.00 4.78 H new ATOM 565 N SER A 811 13.759 5.768 -1.830 1.00 1.31 N ATOM 566 CA SER A 811 13.815 4.998 -0.593 1.00 0.97 C ATOM 567 C SER A 811 12.470 4.336 -0.304 1.00 0.83 C ATOM 568 O SER A 811 11.675 4.845 0.488 1.00 0.94 O ATOM 569 CB SER A 811 14.216 5.900 0.577 1.00 1.31 C ATOM 570 OG SER A 811 13.680 7.204 0.422 1.00 1.80 O ATOM 0 H SER A 811 12.816 6.020 -2.126 1.00 1.31 H new ATOM 0 HA SER A 811 14.566 4.217 -0.713 1.00 0.97 H new ATOM 0 HB2 SER A 811 13.862 5.467 1.512 1.00 1.31 H new ATOM 0 HB3 SER A 811 15.303 5.955 0.642 1.00 1.31 H new ATOM 0 HG SER A 811 13.949 7.761 1.183 1.00 1.80 H new ATOM 576 N PRO A 812 12.194 3.186 -0.944 1.00 0.70 N ATOM 577 CA PRO A 812 10.937 2.457 -0.749 1.00 0.66 C ATOM 578 C PRO A 812 10.826 1.863 0.652 1.00 0.62 C ATOM 579 O PRO A 812 11.543 2.270 1.567 1.00 0.73 O ATOM 580 CB PRO A 812 10.998 1.343 -1.799 1.00 0.70 C ATOM 581 CG PRO A 812 12.451 1.152 -2.067 1.00 0.95 C ATOM 582 CD PRO A 812 13.084 2.506 -1.906 1.00 0.77 C ATOM 0 HA PRO A 812 10.070 3.109 -0.854 1.00 0.66 H new ATOM 0 HB2 PRO A 812 10.540 0.426 -1.429 1.00 0.70 H new ATOM 0 HB3 PRO A 812 10.462 1.624 -2.706 1.00 0.70 H new ATOM 0 HG2 PRO A 812 12.885 0.433 -1.372 1.00 0.95 H new ATOM 0 HG3 PRO A 812 12.614 0.762 -3.072 1.00 0.95 H new ATOM 0 HD2 PRO A 812 14.103 2.431 -1.527 1.00 0.77 H new ATOM 0 HD3 PRO A 812 13.135 3.041 -2.854 1.00 0.77 H new ATOM 590 N ILE A 813 9.923 0.900 0.815 1.00 0.62 N ATOM 591 CA ILE A 813 9.721 0.251 2.106 1.00 0.61 C ATOM 592 C ILE A 813 9.494 -1.248 1.939 1.00 0.59 C ATOM 593 O ILE A 813 9.183 -1.721 0.846 1.00 0.75 O ATOM 594 CB ILE A 813 8.521 0.856 2.861 1.00 0.70 C ATOM 595 CG1 ILE A 813 7.298 0.931 1.945 1.00 1.22 C ATOM 596 CG2 ILE A 813 8.874 2.236 3.399 1.00 1.05 C ATOM 597 CD1 ILE A 813 5.986 1.017 2.694 1.00 1.94 C ATOM 0 H ILE A 813 9.320 0.552 0.069 1.00 0.62 H new ATOM 0 HA ILE A 813 10.628 0.418 2.686 1.00 0.61 H new ATOM 0 HB ILE A 813 8.279 0.210 3.705 1.00 0.70 H new ATOM 0 HG12 ILE A 813 7.394 1.801 1.295 1.00 1.22 H new ATOM 0 HG13 ILE A 813 7.282 0.052 1.301 1.00 1.22 H new ATOM 0 HG21 ILE A 813 8.017 2.650 3.930 1.00 1.05 H new ATOM 0 HG22 ILE A 813 9.719 2.155 4.083 1.00 1.05 H new ATOM 0 HG23 ILE A 813 9.140 2.893 2.570 1.00 1.05 H new ATOM 0 HD11 ILE A 813 5.163 1.067 1.981 1.00 1.94 H new ATOM 0 HD12 ILE A 813 5.868 0.135 3.323 1.00 1.94 H new ATOM 0 HD13 ILE A 813 5.981 1.911 3.318 1.00 1.94 H new ATOM 609 N THR A 814 9.653 -1.991 3.031 1.00 0.49 N ATOM 610 CA THR A 814 9.466 -3.437 3.008 1.00 0.49 C ATOM 611 C THR A 814 8.525 -3.888 4.120 1.00 0.47 C ATOM 612 O THR A 814 7.650 -4.726 3.902 1.00 0.54 O ATOM 613 CB THR A 814 10.807 -4.177 3.155 1.00 0.53 C ATOM 614 OG1 THR A 814 11.615 -3.540 4.152 1.00 1.16 O ATOM 615 CG2 THR A 814 11.558 -4.204 1.831 1.00 1.07 C ATOM 0 H THR A 814 9.911 -1.614 3.943 1.00 0.49 H new ATOM 0 HA THR A 814 9.026 -3.684 2.042 1.00 0.49 H new ATOM 0 HB THR A 814 10.597 -5.202 3.459 1.00 0.53 H new ATOM 0 HG1 THR A 814 12.465 -4.019 4.239 1.00 1.16 H new ATOM 0 HG21 THR A 814 12.503 -4.732 1.959 1.00 1.07 H new ATOM 0 HG22 THR A 814 10.955 -4.716 1.081 1.00 1.07 H new ATOM 0 HG23 THR A 814 11.755 -3.183 1.503 1.00 1.07 H new ATOM 623 N LYS A 815 8.713 -3.330 5.312 1.00 0.42 N ATOM 624 CA LYS A 815 7.881 -3.675 6.459 1.00 0.42 C ATOM 625 C LYS A 815 6.589 -2.863 6.459 1.00 0.40 C ATOM 626 O LYS A 815 6.614 -1.640 6.598 1.00 0.48 O ATOM 627 CB LYS A 815 8.649 -3.434 7.761 1.00 0.49 C ATOM 628 CG LYS A 815 8.448 -4.527 8.797 1.00 0.89 C ATOM 629 CD LYS A 815 9.263 -5.767 8.465 1.00 1.30 C ATOM 630 CE LYS A 815 10.298 -6.058 9.541 1.00 1.97 C ATOM 631 NZ LYS A 815 9.859 -7.149 10.454 1.00 2.69 N ATOM 0 H LYS A 815 9.435 -2.637 5.509 1.00 0.42 H new ATOM 0 HA LYS A 815 7.624 -4.732 6.386 1.00 0.42 H new ATOM 0 HB2 LYS A 815 9.712 -3.350 7.536 1.00 0.49 H new ATOM 0 HB3 LYS A 815 8.337 -2.480 8.186 1.00 0.49 H new ATOM 0 HG2 LYS A 815 8.735 -4.155 9.780 1.00 0.89 H new ATOM 0 HG3 LYS A 815 7.391 -4.789 8.851 1.00 0.89 H new ATOM 0 HD2 LYS A 815 8.597 -6.623 8.358 1.00 1.30 H new ATOM 0 HD3 LYS A 815 9.762 -5.630 7.506 1.00 1.30 H new ATOM 0 HE2 LYS A 815 11.242 -6.336 9.071 1.00 1.97 H new ATOM 0 HE3 LYS A 815 10.484 -5.153 10.120 1.00 1.97 H new ATOM 0 HZ1 LYS A 815 10.592 -7.316 11.172 1.00 2.69 H new ATOM 0 HZ2 LYS A 815 8.972 -6.874 10.922 1.00 2.69 H new ATOM 0 HZ3 LYS A 815 9.706 -8.020 9.906 1.00 2.69 H new ATOM 645 N ILE A 816 5.461 -3.551 6.300 1.00 0.36 N ATOM 646 CA ILE A 816 4.161 -2.889 6.279 1.00 0.38 C ATOM 647 C ILE A 816 3.135 -3.646 7.121 1.00 0.33 C ATOM 648 O ILE A 816 3.420 -4.719 7.652 1.00 0.37 O ATOM 649 CB ILE A 816 3.618 -2.745 4.838 1.00 0.41 C ATOM 650 CG1 ILE A 816 3.049 -4.076 4.329 1.00 0.59 C ATOM 651 CG2 ILE A 816 4.710 -2.234 3.907 1.00 0.84 C ATOM 652 CD1 ILE A 816 4.083 -5.177 4.186 1.00 0.53 C ATOM 0 H ILE A 816 5.422 -4.564 6.184 1.00 0.36 H new ATOM 0 HA ILE A 816 4.313 -1.897 6.704 1.00 0.38 H new ATOM 0 HB ILE A 816 2.807 -2.017 4.851 1.00 0.41 H new ATOM 0 HG12 ILE A 816 2.269 -4.411 5.013 1.00 0.59 H new ATOM 0 HG13 ILE A 816 2.575 -3.910 3.362 1.00 0.59 H new ATOM 0 HG21 ILE A 816 4.312 -2.138 2.897 1.00 0.84 H new ATOM 0 HG22 ILE A 816 5.058 -1.261 4.254 1.00 0.84 H new ATOM 0 HG23 ILE A 816 5.543 -2.937 3.903 1.00 0.84 H new ATOM 0 HD11 ILE A 816 3.601 -6.084 3.822 1.00 0.53 H new ATOM 0 HD12 ILE A 816 4.851 -4.865 3.478 1.00 0.53 H new ATOM 0 HD13 ILE A 816 4.541 -5.374 5.155 1.00 0.53 H new ATOM 664 N LYS A 817 1.938 -3.078 7.229 1.00 0.32 N ATOM 665 CA LYS A 817 0.858 -3.689 7.996 1.00 0.31 C ATOM 666 C LYS A 817 -0.408 -3.783 7.150 1.00 0.32 C ATOM 667 O LYS A 817 -0.763 -2.836 6.448 1.00 0.59 O ATOM 668 CB LYS A 817 0.580 -2.878 9.263 1.00 0.37 C ATOM 669 CG LYS A 817 1.647 -3.031 10.332 1.00 0.39 C ATOM 670 CD LYS A 817 1.077 -3.650 11.597 1.00 0.38 C ATOM 671 CE LYS A 817 1.735 -3.079 12.842 1.00 0.50 C ATOM 672 NZ LYS A 817 0.845 -3.175 14.033 1.00 0.85 N ATOM 0 H LYS A 817 1.691 -2.190 6.792 1.00 0.32 H new ATOM 0 HA LYS A 817 1.165 -4.695 8.282 1.00 0.31 H new ATOM 0 HB2 LYS A 817 0.493 -1.824 8.997 1.00 0.37 H new ATOM 0 HB3 LYS A 817 -0.382 -3.183 9.676 1.00 0.37 H new ATOM 0 HG2 LYS A 817 2.457 -3.654 9.953 1.00 0.39 H new ATOM 0 HG3 LYS A 817 2.076 -2.056 10.563 1.00 0.39 H new ATOM 0 HD2 LYS A 817 0.002 -3.472 11.638 1.00 0.38 H new ATOM 0 HD3 LYS A 817 1.220 -4.730 11.571 1.00 0.38 H new ATOM 0 HE2 LYS A 817 2.664 -3.613 13.039 1.00 0.50 H new ATOM 0 HE3 LYS A 817 1.998 -2.036 12.668 1.00 0.50 H new ATOM 0 HZ1 LYS A 817 0.578 -2.219 14.345 1.00 0.85 H new ATOM 0 HZ2 LYS A 817 -0.012 -3.710 13.784 1.00 0.85 H new ATOM 0 HZ3 LYS A 817 1.346 -3.663 14.803 1.00 0.85 H new ATOM 686 N TYR A 818 -1.085 -4.926 7.216 1.00 0.23 N ATOM 687 CA TYR A 818 -2.307 -5.125 6.442 1.00 0.22 C ATOM 688 C TYR A 818 -3.517 -5.319 7.351 1.00 0.23 C ATOM 689 O TYR A 818 -3.393 -5.330 8.574 1.00 0.31 O ATOM 690 CB TYR A 818 -2.154 -6.319 5.495 1.00 0.26 C ATOM 691 CG TYR A 818 -2.148 -7.667 6.181 1.00 0.30 C ATOM 692 CD1 TYR A 818 -1.142 -8.002 7.079 1.00 0.46 C ATOM 693 CD2 TYR A 818 -3.152 -8.598 5.943 1.00 0.41 C ATOM 694 CE1 TYR A 818 -1.135 -9.229 7.718 1.00 0.58 C ATOM 695 CE2 TYR A 818 -3.152 -9.823 6.580 1.00 0.51 C ATOM 696 CZ TYR A 818 -2.131 -10.155 7.423 1.00 0.56 C ATOM 697 OH TYR A 818 -2.140 -11.355 8.100 1.00 0.71 O ATOM 0 H TYR A 818 -0.812 -5.722 7.792 1.00 0.23 H new ATOM 0 HA TYR A 818 -2.475 -4.226 5.849 1.00 0.22 H new ATOM 0 HB2 TYR A 818 -2.968 -6.298 4.770 1.00 0.26 H new ATOM 0 HB3 TYR A 818 -1.225 -6.206 4.935 1.00 0.26 H new ATOM 0 HD1 TYR A 818 -0.353 -7.293 7.281 1.00 0.46 H new ATOM 0 HD2 TYR A 818 -3.944 -8.360 5.249 1.00 0.41 H new ATOM 0 HE1 TYR A 818 -0.365 -9.466 8.438 1.00 0.58 H new ATOM 0 HE2 TYR A 818 -3.960 -10.519 6.411 1.00 0.51 H new ATOM 0 HH TYR A 818 -3.032 -11.513 8.475 1.00 0.71 H new ATOM 707 N GLN A 819 -4.688 -5.467 6.739 1.00 0.27 N ATOM 708 CA GLN A 819 -5.928 -5.656 7.477 1.00 0.34 C ATOM 709 C GLN A 819 -6.321 -7.126 7.503 1.00 0.40 C ATOM 710 O GLN A 819 -6.686 -7.704 6.480 1.00 0.45 O ATOM 711 CB GLN A 819 -7.052 -4.830 6.847 1.00 0.44 C ATOM 712 CG GLN A 819 -8.372 -4.937 7.593 1.00 0.56 C ATOM 713 CD GLN A 819 -8.591 -3.792 8.564 1.00 1.14 C ATOM 714 OE1 GLN A 819 -8.011 -2.716 8.416 1.00 1.91 O ATOM 715 NE2 GLN A 819 -9.432 -4.021 9.567 1.00 1.44 N ATOM 0 H GLN A 819 -4.802 -5.459 5.725 1.00 0.27 H new ATOM 0 HA GLN A 819 -5.768 -5.319 8.501 1.00 0.34 H new ATOM 0 HB2 GLN A 819 -6.748 -3.784 6.811 1.00 0.44 H new ATOM 0 HB3 GLN A 819 -7.198 -5.155 5.817 1.00 0.44 H new ATOM 0 HG2 GLN A 819 -9.190 -4.959 6.873 1.00 0.56 H new ATOM 0 HG3 GLN A 819 -8.401 -5.881 8.138 1.00 0.56 H new ATOM 0 HE21 GLN A 819 -9.891 -4.928 9.651 1.00 1.44 H new ATOM 0 HE22 GLN A 819 -9.619 -3.290 10.253 1.00 1.44 H new ATOM 724 N ASP A 820 -6.242 -7.720 8.683 1.00 0.43 N ATOM 725 CA ASP A 820 -6.587 -9.126 8.858 1.00 0.53 C ATOM 726 C ASP A 820 -8.100 -9.311 8.937 1.00 0.62 C ATOM 727 O ASP A 820 -8.854 -8.338 8.941 1.00 0.65 O ATOM 728 CB ASP A 820 -5.928 -9.682 10.123 1.00 0.58 C ATOM 729 CG ASP A 820 -5.733 -11.183 10.062 1.00 1.13 C ATOM 730 OD1 ASP A 820 -4.938 -11.644 9.216 1.00 1.80 O ATOM 731 OD2 ASP A 820 -6.375 -11.897 10.861 1.00 1.34 O ATOM 0 H ASP A 820 -5.941 -7.251 9.537 1.00 0.43 H new ATOM 0 HA ASP A 820 -6.217 -9.674 7.992 1.00 0.53 H new ATOM 0 HB2 ASP A 820 -4.962 -9.199 10.268 1.00 0.58 H new ATOM 0 HB3 ASP A 820 -6.542 -9.433 10.988 1.00 0.58 H new ATOM 736 N GLU A 821 -8.537 -10.566 8.997 1.00 0.71 N ATOM 737 CA GLU A 821 -9.961 -10.882 9.071 1.00 0.82 C ATOM 738 C GLU A 821 -10.480 -10.747 10.500 1.00 0.83 C ATOM 739 O GLU A 821 -11.286 -11.560 10.959 1.00 0.97 O ATOM 740 CB GLU A 821 -10.217 -12.299 8.554 1.00 0.96 C ATOM 741 CG GLU A 821 -9.424 -13.369 9.288 1.00 1.10 C ATOM 742 CD GLU A 821 -10.292 -14.519 9.760 1.00 1.30 C ATOM 743 OE1 GLU A 821 -11.237 -14.886 9.032 1.00 1.62 O ATOM 744 OE2 GLU A 821 -10.027 -15.049 10.860 1.00 1.53 O ATOM 0 H GLU A 821 -7.925 -11.382 8.996 1.00 0.71 H new ATOM 0 HA GLU A 821 -10.497 -10.170 8.443 1.00 0.82 H new ATOM 0 HB2 GLU A 821 -11.280 -12.522 8.643 1.00 0.96 H new ATOM 0 HB3 GLU A 821 -9.970 -12.340 7.493 1.00 0.96 H new ATOM 0 HG2 GLU A 821 -8.645 -13.753 8.630 1.00 1.10 H new ATOM 0 HG3 GLU A 821 -8.924 -12.920 10.146 1.00 1.10 H new ATOM 751 N ASP A 822 -10.020 -9.716 11.199 1.00 0.79 N ATOM 752 CA ASP A 822 -10.441 -9.473 12.574 1.00 0.81 C ATOM 753 C ASP A 822 -10.645 -7.982 12.822 1.00 0.73 C ATOM 754 O ASP A 822 -10.716 -7.539 13.968 1.00 0.78 O ATOM 755 CB ASP A 822 -9.404 -10.028 13.552 1.00 0.86 C ATOM 756 CG ASP A 822 -9.515 -11.531 13.724 1.00 1.20 C ATOM 757 OD1 ASP A 822 -10.481 -11.985 14.371 1.00 1.65 O ATOM 758 OD2 ASP A 822 -8.633 -12.253 13.212 1.00 1.56 O ATOM 0 H ASP A 822 -9.354 -9.034 10.836 1.00 0.79 H new ATOM 0 HA ASP A 822 -11.390 -9.984 12.735 1.00 0.81 H new ATOM 0 HB2 ASP A 822 -8.404 -9.779 13.197 1.00 0.86 H new ATOM 0 HB3 ASP A 822 -9.528 -9.544 14.521 1.00 0.86 H new ATOM 763 N GLY A 823 -10.736 -7.214 11.740 1.00 0.68 N ATOM 764 CA GLY A 823 -10.928 -5.780 11.860 1.00 0.70 C ATOM 765 C GLY A 823 -9.819 -5.117 12.655 1.00 0.67 C ATOM 766 O GLY A 823 -10.081 -4.413 13.630 1.00 0.88 O ATOM 0 H GLY A 823 -10.680 -7.560 10.782 1.00 0.68 H new ATOM 0 HA2 GLY A 823 -10.974 -5.337 10.865 1.00 0.70 H new ATOM 0 HA3 GLY A 823 -11.886 -5.583 12.342 1.00 0.70 H new ATOM 770 N ASP A 824 -8.577 -5.347 12.234 1.00 0.54 N ATOM 771 CA ASP A 824 -7.419 -4.776 12.907 1.00 0.57 C ATOM 772 C ASP A 824 -6.147 -5.053 12.116 1.00 0.55 C ATOM 773 O ASP A 824 -5.910 -6.178 11.671 1.00 0.93 O ATOM 774 CB ASP A 824 -7.288 -5.349 14.321 1.00 0.65 C ATOM 775 CG ASP A 824 -6.952 -4.285 15.347 1.00 1.15 C ATOM 776 OD1 ASP A 824 -5.784 -3.840 15.381 1.00 1.48 O ATOM 777 OD2 ASP A 824 -7.856 -3.895 16.115 1.00 1.86 O ATOM 0 H ASP A 824 -8.349 -5.927 11.427 1.00 0.54 H new ATOM 0 HA ASP A 824 -7.561 -3.697 12.973 1.00 0.57 H new ATOM 0 HB2 ASP A 824 -8.222 -5.837 14.600 1.00 0.65 H new ATOM 0 HB3 ASP A 824 -6.513 -6.115 14.329 1.00 0.65 H new ATOM 782 N PHE A 825 -5.333 -4.021 11.944 1.00 0.42 N ATOM 783 CA PHE A 825 -4.080 -4.149 11.208 1.00 0.37 C ATOM 784 C PHE A 825 -3.107 -5.054 11.954 1.00 0.38 C ATOM 785 O PHE A 825 -3.040 -5.029 13.183 1.00 0.44 O ATOM 786 CB PHE A 825 -3.445 -2.776 10.984 1.00 0.39 C ATOM 787 CG PHE A 825 -4.155 -1.949 9.951 1.00 0.41 C ATOM 788 CD1 PHE A 825 -3.957 -2.183 8.601 1.00 0.38 C ATOM 789 CD2 PHE A 825 -5.019 -0.937 10.333 1.00 0.59 C ATOM 790 CE1 PHE A 825 -4.609 -1.422 7.649 1.00 0.43 C ATOM 791 CE2 PHE A 825 -5.673 -0.171 9.388 1.00 0.64 C ATOM 792 CZ PHE A 825 -5.468 -0.425 8.034 1.00 0.52 C ATOM 0 H PHE A 825 -5.517 -3.084 12.304 1.00 0.42 H new ATOM 0 HA PHE A 825 -4.303 -4.597 10.239 1.00 0.37 H new ATOM 0 HB2 PHE A 825 -3.433 -2.232 11.928 1.00 0.39 H new ATOM 0 HB3 PHE A 825 -2.407 -2.910 10.680 1.00 0.39 H new ATOM 0 HD1 PHE A 825 -3.286 -2.969 8.288 1.00 0.38 H new ATOM 0 HD2 PHE A 825 -5.184 -0.744 11.383 1.00 0.59 H new ATOM 0 HE1 PHE A 825 -4.441 -1.613 6.599 1.00 0.43 H new ATOM 0 HE2 PHE A 825 -6.340 0.620 9.697 1.00 0.64 H new ATOM 0 HZ PHE A 825 -5.984 0.162 7.289 1.00 0.52 H new ATOM 802 N VAL A 826 -2.354 -5.851 11.205 1.00 0.38 N ATOM 803 CA VAL A 826 -1.386 -6.762 11.799 1.00 0.45 C ATOM 804 C VAL A 826 -0.049 -6.677 11.072 1.00 0.36 C ATOM 805 O VAL A 826 0.065 -6.020 10.038 1.00 0.31 O ATOM 806 CB VAL A 826 -1.891 -8.215 11.775 1.00 0.54 C ATOM 807 CG1 VAL A 826 -2.748 -8.502 12.998 1.00 0.97 C ATOM 808 CG2 VAL A 826 -2.669 -8.490 10.499 1.00 0.79 C ATOM 0 H VAL A 826 -2.396 -5.884 10.186 1.00 0.38 H new ATOM 0 HA VAL A 826 -1.252 -6.459 12.837 1.00 0.45 H new ATOM 0 HB VAL A 826 -1.027 -8.879 11.798 1.00 0.54 H new ATOM 0 HG11 VAL A 826 -3.096 -9.534 12.964 1.00 0.97 H new ATOM 0 HG12 VAL A 826 -2.157 -8.348 13.901 1.00 0.97 H new ATOM 0 HG13 VAL A 826 -3.606 -7.830 13.007 1.00 0.97 H new ATOM 0 HG21 VAL A 826 -3.018 -9.523 10.501 1.00 0.79 H new ATOM 0 HG22 VAL A 826 -3.525 -7.818 10.443 1.00 0.79 H new ATOM 0 HG23 VAL A 826 -2.023 -8.327 9.637 1.00 0.79 H new ATOM 818 N VAL A 827 0.959 -7.345 11.621 1.00 0.37 N ATOM 819 CA VAL A 827 2.289 -7.336 11.026 1.00 0.33 C ATOM 820 C VAL A 827 2.529 -8.591 10.198 1.00 0.30 C ATOM 821 O VAL A 827 2.598 -9.699 10.730 1.00 0.35 O ATOM 822 CB VAL A 827 3.387 -7.225 12.097 1.00 0.41 C ATOM 823 CG1 VAL A 827 4.643 -6.598 11.513 1.00 0.52 C ATOM 824 CG2 VAL A 827 2.892 -6.428 13.297 1.00 0.56 C ATOM 0 H VAL A 827 0.881 -7.898 12.475 1.00 0.37 H new ATOM 0 HA VAL A 827 2.337 -6.461 10.378 1.00 0.33 H new ATOM 0 HB VAL A 827 3.635 -8.230 12.438 1.00 0.41 H new ATOM 0 HG11 VAL A 827 5.408 -6.528 12.286 1.00 0.52 H new ATOM 0 HG12 VAL A 827 5.011 -7.216 10.693 1.00 0.52 H new ATOM 0 HG13 VAL A 827 4.412 -5.600 11.140 1.00 0.52 H new ATOM 0 HG21 VAL A 827 3.685 -6.362 14.042 1.00 0.56 H new ATOM 0 HG22 VAL A 827 2.611 -5.425 12.977 1.00 0.56 H new ATOM 0 HG23 VAL A 827 2.026 -6.926 13.732 1.00 0.56 H new ATOM 834 N LEU A 828 2.649 -8.404 8.888 1.00 0.26 N ATOM 835 CA LEU A 828 2.876 -9.517 7.972 1.00 0.28 C ATOM 836 C LEU A 828 4.342 -9.935 7.977 1.00 0.46 C ATOM 837 O LEU A 828 5.222 -9.159 7.605 1.00 0.60 O ATOM 838 CB LEU A 828 2.446 -9.133 6.555 1.00 0.31 C ATOM 839 CG LEU A 828 1.772 -10.252 5.759 1.00 0.45 C ATOM 840 CD1 LEU A 828 0.975 -9.679 4.598 1.00 0.66 C ATOM 841 CD2 LEU A 828 2.811 -11.243 5.257 1.00 0.81 C ATOM 0 H LEU A 828 2.593 -7.491 8.436 1.00 0.26 H new ATOM 0 HA LEU A 828 2.276 -10.362 8.309 1.00 0.28 H new ATOM 0 HB2 LEU A 828 1.761 -8.287 6.616 1.00 0.31 H new ATOM 0 HB3 LEU A 828 3.323 -8.794 6.005 1.00 0.31 H new ATOM 0 HG LEU A 828 1.082 -10.778 6.419 1.00 0.45 H new ATOM 0 HD11 LEU A 828 0.503 -10.491 4.044 1.00 0.66 H new ATOM 0 HD12 LEU A 828 0.207 -9.007 4.981 1.00 0.66 H new ATOM 0 HD13 LEU A 828 1.642 -9.128 3.935 1.00 0.66 H new ATOM 0 HD21 LEU A 828 2.317 -12.034 4.692 1.00 0.81 H new ATOM 0 HD22 LEU A 828 3.524 -10.728 4.613 1.00 0.81 H new ATOM 0 HD23 LEU A 828 3.338 -11.679 6.106 1.00 0.81 H new ATOM 853 N GLY A 829 4.595 -11.168 8.402 1.00 0.58 N ATOM 854 CA GLY A 829 5.953 -11.674 8.451 1.00 0.81 C ATOM 855 C GLY A 829 6.574 -11.811 7.075 1.00 0.49 C ATOM 856 O GLY A 829 7.551 -11.130 6.759 1.00 0.45 O ATOM 0 H GLY A 829 3.882 -11.827 8.714 1.00 0.58 H new ATOM 0 HA2 GLY A 829 6.564 -11.005 9.057 1.00 0.81 H new ATOM 0 HA3 GLY A 829 5.957 -12.645 8.946 1.00 0.81 H new ATOM 860 N SER A 830 6.007 -12.693 6.256 1.00 0.35 N ATOM 861 CA SER A 830 6.513 -12.918 4.907 1.00 0.23 C ATOM 862 C SER A 830 5.560 -13.814 4.117 1.00 0.19 C ATOM 863 O SER A 830 4.342 -13.710 4.259 1.00 0.20 O ATOM 864 CB SER A 830 7.909 -13.546 4.965 1.00 0.45 C ATOM 865 OG SER A 830 8.842 -12.786 4.216 1.00 1.31 O ATOM 0 H SER A 830 5.198 -13.263 6.504 1.00 0.35 H new ATOM 0 HA SER A 830 6.581 -11.957 4.398 1.00 0.23 H new ATOM 0 HB2 SER A 830 8.238 -13.612 6.002 1.00 0.45 H new ATOM 0 HB3 SER A 830 7.870 -14.564 4.577 1.00 0.45 H new ATOM 0 HG SER A 830 8.366 -12.253 3.545 1.00 1.31 H new ATOM 871 N ASP A 831 6.118 -14.694 3.288 1.00 0.18 N ATOM 872 CA ASP A 831 5.312 -15.605 2.480 1.00 0.18 C ATOM 873 C ASP A 831 4.394 -16.455 3.357 1.00 0.17 C ATOM 874 O ASP A 831 3.453 -17.076 2.865 1.00 0.22 O ATOM 875 CB ASP A 831 6.217 -16.512 1.645 1.00 0.23 C ATOM 876 CG ASP A 831 5.469 -17.192 0.513 1.00 1.33 C ATOM 877 OD1 ASP A 831 5.326 -16.570 -0.560 1.00 2.20 O ATOM 878 OD2 ASP A 831 5.027 -18.345 0.701 1.00 1.77 O ATOM 0 H ASP A 831 7.125 -14.795 3.159 1.00 0.18 H new ATOM 0 HA ASP A 831 4.691 -15.004 1.815 1.00 0.18 H new ATOM 0 HB2 ASP A 831 7.037 -15.923 1.233 1.00 0.23 H new ATOM 0 HB3 ASP A 831 6.662 -17.270 2.290 1.00 0.23 H new ATOM 883 N GLU A 832 4.673 -16.479 4.658 1.00 0.18 N ATOM 884 CA GLU A 832 3.869 -17.254 5.597 1.00 0.21 C ATOM 885 C GLU A 832 2.518 -16.590 5.838 1.00 0.19 C ATOM 886 O GLU A 832 1.491 -17.059 5.347 1.00 0.19 O ATOM 887 CB GLU A 832 4.613 -17.423 6.923 1.00 0.26 C ATOM 888 CG GLU A 832 4.673 -18.863 7.404 1.00 0.92 C ATOM 889 CD GLU A 832 4.114 -19.035 8.802 1.00 1.41 C ATOM 890 OE1 GLU A 832 4.599 -18.345 9.724 1.00 1.63 O ATOM 891 OE2 GLU A 832 3.191 -19.859 8.976 1.00 2.21 O ATOM 0 H GLU A 832 5.448 -15.972 5.084 1.00 0.18 H new ATOM 0 HA GLU A 832 3.695 -18.237 5.159 1.00 0.21 H new ATOM 0 HB2 GLU A 832 5.628 -17.043 6.812 1.00 0.26 H new ATOM 0 HB3 GLU A 832 4.126 -16.814 7.684 1.00 0.26 H new ATOM 0 HG2 GLU A 832 4.116 -19.496 6.714 1.00 0.92 H new ATOM 0 HG3 GLU A 832 5.708 -19.205 7.386 1.00 0.92 H new ATOM 898 N ASP A 833 2.524 -15.494 6.590 1.00 0.19 N ATOM 899 CA ASP A 833 1.295 -14.767 6.888 1.00 0.19 C ATOM 900 C ASP A 833 0.645 -14.264 5.607 1.00 0.18 C ATOM 901 O ASP A 833 -0.510 -13.842 5.614 1.00 0.18 O ATOM 902 CB ASP A 833 1.581 -13.595 7.828 1.00 0.22 C ATOM 903 CG ASP A 833 1.523 -13.999 9.287 1.00 0.41 C ATOM 904 OD1 ASP A 833 2.268 -14.922 9.678 1.00 0.73 O ATOM 905 OD2 ASP A 833 0.731 -13.394 10.040 1.00 0.73 O ATOM 0 H ASP A 833 3.365 -15.090 7.004 1.00 0.19 H new ATOM 0 HA ASP A 833 0.606 -15.452 7.382 1.00 0.19 H new ATOM 0 HB2 ASP A 833 2.567 -13.186 7.606 1.00 0.22 H new ATOM 0 HB3 ASP A 833 0.858 -12.800 7.645 1.00 0.22 H new ATOM 910 N TRP A 834 1.386 -14.324 4.506 1.00 0.17 N ATOM 911 CA TRP A 834 0.859 -13.884 3.222 1.00 0.17 C ATOM 912 C TRP A 834 0.086 -15.015 2.557 1.00 0.17 C ATOM 913 O TRP A 834 -0.974 -14.794 1.971 1.00 0.19 O ATOM 914 CB TRP A 834 1.982 -13.398 2.306 1.00 0.19 C ATOM 915 CG TRP A 834 1.493 -12.809 1.013 1.00 0.17 C ATOM 916 CD1 TRP A 834 2.083 -12.929 -0.212 1.00 0.17 C ATOM 917 CD2 TRP A 834 0.317 -12.009 0.812 1.00 0.19 C ATOM 918 NE1 TRP A 834 1.357 -12.249 -1.158 1.00 0.17 N ATOM 919 CE2 TRP A 834 0.266 -11.681 -0.556 1.00 0.19 C ATOM 920 CE3 TRP A 834 -0.696 -11.537 1.654 1.00 0.23 C ATOM 921 CZ2 TRP A 834 -0.755 -10.907 -1.099 1.00 0.23 C ATOM 922 CZ3 TRP A 834 -1.709 -10.768 1.114 1.00 0.26 C ATOM 923 CH2 TRP A 834 -1.733 -10.461 -0.251 1.00 0.26 C ATOM 0 H TRP A 834 2.345 -14.670 4.477 1.00 0.17 H new ATOM 0 HA TRP A 834 0.182 -13.048 3.399 1.00 0.17 H new ATOM 0 HB2 TRP A 834 2.573 -12.651 2.835 1.00 0.19 H new ATOM 0 HB3 TRP A 834 2.647 -14.233 2.086 1.00 0.19 H new ATOM 0 HD1 TRP A 834 2.991 -13.480 -0.409 1.00 0.17 H new ATOM 0 HE1 TRP A 834 1.592 -12.178 -2.148 1.00 0.17 H new ATOM 0 HE3 TRP A 834 -0.686 -11.770 2.709 1.00 0.23 H new ATOM 0 HZ2 TRP A 834 -0.775 -10.667 -2.152 1.00 0.23 H new ATOM 0 HZ3 TRP A 834 -2.495 -10.398 1.756 1.00 0.26 H new ATOM 0 HH2 TRP A 834 -2.540 -9.860 -0.644 1.00 0.26 H new ATOM 934 N ASN A 835 0.612 -16.230 2.671 1.00 0.18 N ATOM 935 CA ASN A 835 -0.043 -17.401 2.098 1.00 0.20 C ATOM 936 C ASN A 835 -1.319 -17.708 2.867 1.00 0.20 C ATOM 937 O ASN A 835 -2.323 -18.132 2.292 1.00 0.23 O ATOM 938 CB ASN A 835 0.903 -18.607 2.122 1.00 0.23 C ATOM 939 CG ASN A 835 0.528 -19.631 3.178 1.00 1.38 C ATOM 940 OD1 ASN A 835 -0.355 -20.462 2.970 1.00 1.90 O ATOM 941 ND2 ASN A 835 1.204 -19.576 4.321 1.00 1.98 N ATOM 0 H ASN A 835 1.488 -16.430 3.154 1.00 0.18 H new ATOM 0 HA ASN A 835 -0.301 -17.190 1.060 1.00 0.20 H new ATOM 0 HB2 ASN A 835 0.899 -19.085 1.142 1.00 0.23 H new ATOM 0 HB3 ASN A 835 1.920 -18.261 2.304 1.00 0.23 H new ATOM 0 HD21 ASN A 835 0.998 -20.240 5.068 1.00 1.98 H new ATOM 0 HD22 ASN A 835 1.929 -18.870 4.451 1.00 1.98 H new ATOM 948 N VAL A 836 -1.273 -17.473 4.173 1.00 0.20 N ATOM 949 CA VAL A 836 -2.421 -17.703 5.038 1.00 0.22 C ATOM 950 C VAL A 836 -3.470 -16.625 4.811 1.00 0.22 C ATOM 951 O VAL A 836 -4.623 -16.923 4.504 1.00 0.27 O ATOM 952 CB VAL A 836 -2.024 -17.715 6.526 1.00 0.24 C ATOM 953 CG1 VAL A 836 -3.207 -18.121 7.392 1.00 0.67 C ATOM 954 CG2 VAL A 836 -0.840 -18.643 6.757 1.00 0.62 C ATOM 0 H VAL A 836 -0.447 -17.121 4.657 1.00 0.20 H new ATOM 0 HA VAL A 836 -2.828 -18.682 4.784 1.00 0.22 H new ATOM 0 HB VAL A 836 -1.725 -16.706 6.811 1.00 0.24 H new ATOM 0 HG11 VAL A 836 -2.907 -18.124 8.440 1.00 0.67 H new ATOM 0 HG12 VAL A 836 -4.022 -17.412 7.250 1.00 0.67 H new ATOM 0 HG13 VAL A 836 -3.541 -19.119 7.108 1.00 0.67 H new ATOM 0 HG21 VAL A 836 -0.575 -18.638 7.814 1.00 0.62 H new ATOM 0 HG22 VAL A 836 -1.107 -19.656 6.455 1.00 0.62 H new ATOM 0 HG23 VAL A 836 0.011 -18.301 6.168 1.00 0.62 H new ATOM 964 N ALA A 837 -3.056 -15.366 4.953 1.00 0.20 N ATOM 965 CA ALA A 837 -3.965 -14.244 4.748 1.00 0.20 C ATOM 966 C ALA A 837 -4.594 -14.317 3.361 1.00 0.20 C ATOM 967 O ALA A 837 -5.708 -13.839 3.147 1.00 0.21 O ATOM 968 CB ALA A 837 -3.235 -12.921 4.928 1.00 0.22 C ATOM 0 H ALA A 837 -2.104 -15.101 5.207 1.00 0.20 H new ATOM 0 HA ALA A 837 -4.757 -14.304 5.495 1.00 0.20 H new ATOM 0 HB1 ALA A 837 -3.931 -12.097 4.771 1.00 0.22 H new ATOM 0 HB2 ALA A 837 -2.828 -12.864 5.938 1.00 0.22 H new ATOM 0 HB3 ALA A 837 -2.422 -12.852 4.205 1.00 0.22 H new ATOM 974 N LYS A 838 -3.873 -14.933 2.425 1.00 0.21 N ATOM 975 CA LYS A 838 -4.365 -15.083 1.060 1.00 0.24 C ATOM 976 C LYS A 838 -5.570 -16.015 1.034 1.00 0.24 C ATOM 977 O LYS A 838 -6.600 -15.698 0.439 1.00 0.26 O ATOM 978 CB LYS A 838 -3.263 -15.624 0.146 1.00 0.28 C ATOM 979 CG LYS A 838 -2.529 -14.541 -0.628 1.00 0.38 C ATOM 980 CD LYS A 838 -1.600 -15.137 -1.673 1.00 0.49 C ATOM 981 CE LYS A 838 -0.320 -15.665 -1.045 1.00 0.68 C ATOM 982 NZ LYS A 838 0.593 -16.260 -2.060 1.00 0.85 N ATOM 0 H LYS A 838 -2.950 -15.334 2.588 1.00 0.21 H new ATOM 0 HA LYS A 838 -4.668 -14.102 0.694 1.00 0.24 H new ATOM 0 HB2 LYS A 838 -2.544 -16.180 0.748 1.00 0.28 H new ATOM 0 HB3 LYS A 838 -3.701 -16.330 -0.560 1.00 0.28 H new ATOM 0 HG2 LYS A 838 -3.252 -13.886 -1.114 1.00 0.38 H new ATOM 0 HG3 LYS A 838 -1.954 -13.925 0.063 1.00 0.38 H new ATOM 0 HD2 LYS A 838 -2.110 -15.946 -2.196 1.00 0.49 H new ATOM 0 HD3 LYS A 838 -1.355 -14.380 -2.418 1.00 0.49 H new ATOM 0 HE2 LYS A 838 0.192 -14.854 -0.528 1.00 0.68 H new ATOM 0 HE3 LYS A 838 -0.567 -16.416 -0.294 1.00 0.68 H new ATOM 0 HZ1 LYS A 838 1.454 -16.608 -1.591 1.00 0.85 H new ATOM 0 HZ2 LYS A 838 0.114 -17.051 -2.536 1.00 0.85 H new ATOM 0 HZ3 LYS A 838 0.850 -15.537 -2.762 1.00 0.85 H new ATOM 996 N GLU A 839 -5.438 -17.158 1.699 1.00 0.26 N ATOM 997 CA GLU A 839 -6.521 -18.130 1.767 1.00 0.29 C ATOM 998 C GLU A 839 -7.723 -17.520 2.477 1.00 0.27 C ATOM 999 O GLU A 839 -8.872 -17.831 2.160 1.00 0.31 O ATOM 1000 CB GLU A 839 -6.061 -19.391 2.499 1.00 0.34 C ATOM 1001 CG GLU A 839 -5.657 -20.522 1.568 1.00 0.71 C ATOM 1002 CD GLU A 839 -5.873 -21.890 2.184 1.00 1.28 C ATOM 1003 OE1 GLU A 839 -5.035 -22.307 3.010 1.00 1.95 O ATOM 1004 OE2 GLU A 839 -6.879 -22.545 1.840 1.00 1.82 O ATOM 0 H GLU A 839 -4.592 -17.433 2.198 1.00 0.26 H new ATOM 0 HA GLU A 839 -6.809 -18.404 0.752 1.00 0.29 H new ATOM 0 HB2 GLU A 839 -5.216 -19.141 3.141 1.00 0.34 H new ATOM 0 HB3 GLU A 839 -6.864 -19.737 3.150 1.00 0.34 H new ATOM 0 HG2 GLU A 839 -6.230 -20.449 0.644 1.00 0.71 H new ATOM 0 HG3 GLU A 839 -4.606 -20.410 1.301 1.00 0.71 H new ATOM 1011 N MET A 840 -7.443 -16.639 3.433 1.00 0.25 N ATOM 1012 CA MET A 840 -8.490 -15.964 4.188 1.00 0.24 C ATOM 1013 C MET A 840 -9.310 -15.068 3.263 1.00 0.24 C ATOM 1014 O MET A 840 -10.506 -14.869 3.470 1.00 0.27 O ATOM 1015 CB MET A 840 -7.866 -15.145 5.328 1.00 0.24 C ATOM 1016 CG MET A 840 -8.597 -13.847 5.644 1.00 0.26 C ATOM 1017 SD MET A 840 -7.546 -12.652 6.493 1.00 0.30 S ATOM 1018 CE MET A 840 -7.016 -11.629 5.123 1.00 0.27 C ATOM 0 H MET A 840 -6.495 -16.376 3.703 1.00 0.25 H new ATOM 0 HA MET A 840 -9.157 -16.709 4.622 1.00 0.24 H new ATOM 0 HB2 MET A 840 -7.838 -15.760 6.227 1.00 0.24 H new ATOM 0 HB3 MET A 840 -6.833 -14.912 5.069 1.00 0.24 H new ATOM 0 HG2 MET A 840 -8.967 -13.407 4.718 1.00 0.26 H new ATOM 0 HG3 MET A 840 -9.467 -14.065 6.263 1.00 0.26 H new ATOM 0 HE1 MET A 840 -5.974 -11.342 5.265 1.00 0.27 H new ATOM 0 HE2 MET A 840 -7.115 -12.188 4.192 1.00 0.27 H new ATOM 0 HE3 MET A 840 -7.636 -10.734 5.076 1.00 0.27 H new ATOM 1028 N LEU A 841 -8.651 -14.540 2.235 1.00 0.22 N ATOM 1029 CA LEU A 841 -9.307 -13.672 1.266 1.00 0.24 C ATOM 1030 C LEU A 841 -10.244 -14.473 0.368 1.00 0.24 C ATOM 1031 O LEU A 841 -11.360 -14.045 0.080 1.00 0.28 O ATOM 1032 CB LEU A 841 -8.262 -12.945 0.416 1.00 0.26 C ATOM 1033 CG LEU A 841 -7.694 -11.671 1.040 1.00 0.32 C ATOM 1034 CD1 LEU A 841 -6.203 -11.562 0.758 1.00 0.47 C ATOM 1035 CD2 LEU A 841 -8.430 -10.447 0.516 1.00 0.38 C ATOM 0 H LEU A 841 -7.660 -14.700 2.053 1.00 0.22 H new ATOM 0 HA LEU A 841 -9.898 -12.936 1.812 1.00 0.24 H new ATOM 0 HB2 LEU A 841 -7.439 -13.631 0.214 1.00 0.26 H new ATOM 0 HB3 LEU A 841 -8.710 -12.692 -0.545 1.00 0.26 H new ATOM 0 HG LEU A 841 -7.837 -11.720 2.119 1.00 0.32 H new ATOM 0 HD11 LEU A 841 -5.813 -10.649 1.209 1.00 0.47 H new ATOM 0 HD12 LEU A 841 -5.689 -12.425 1.182 1.00 0.47 H new ATOM 0 HD13 LEU A 841 -6.038 -11.534 -0.319 1.00 0.47 H new ATOM 0 HD21 LEU A 841 -8.012 -9.549 0.971 1.00 0.38 H new ATOM 0 HD22 LEU A 841 -8.318 -10.391 -0.567 1.00 0.38 H new ATOM 0 HD23 LEU A 841 -9.488 -10.523 0.768 1.00 0.38 H new ATOM 1047 N ALA A 842 -9.781 -15.639 -0.071 1.00 0.30 N ATOM 1048 CA ALA A 842 -10.578 -16.502 -0.935 1.00 0.35 C ATOM 1049 C ALA A 842 -11.759 -17.096 -0.181 1.00 0.36 C ATOM 1050 O ALA A 842 -12.742 -17.527 -0.787 1.00 0.49 O ATOM 1051 CB ALA A 842 -9.718 -17.612 -1.511 1.00 0.49 C ATOM 0 H ALA A 842 -8.858 -16.008 0.157 1.00 0.30 H new ATOM 0 HA ALA A 842 -10.966 -15.892 -1.751 1.00 0.35 H new ATOM 0 HB1 ALA A 842 -10.327 -18.248 -2.154 1.00 0.49 H new ATOM 0 HB2 ALA A 842 -8.906 -17.178 -2.094 1.00 0.49 H new ATOM 0 HB3 ALA A 842 -9.302 -18.209 -0.699 1.00 0.49 H new ATOM 1057 N GLU A 843 -11.659 -17.112 1.144 1.00 0.34 N ATOM 1058 CA GLU A 843 -12.722 -17.650 1.985 1.00 0.42 C ATOM 1059 C GLU A 843 -13.961 -16.763 1.916 1.00 0.53 C ATOM 1060 O GLU A 843 -14.951 -17.008 2.607 1.00 0.69 O ATOM 1061 CB GLU A 843 -12.242 -17.770 3.431 1.00 0.45 C ATOM 1062 CG GLU A 843 -12.971 -18.840 4.228 1.00 0.57 C ATOM 1063 CD GLU A 843 -12.030 -19.686 5.063 1.00 1.05 C ATOM 1064 OE1 GLU A 843 -11.397 -20.603 4.499 1.00 1.68 O ATOM 1065 OE2 GLU A 843 -11.927 -19.432 6.282 1.00 1.36 O ATOM 0 H GLU A 843 -10.852 -16.758 1.659 1.00 0.34 H new ATOM 0 HA GLU A 843 -12.984 -18.642 1.616 1.00 0.42 H new ATOM 0 HB2 GLU A 843 -11.175 -17.991 3.433 1.00 0.45 H new ATOM 0 HB3 GLU A 843 -12.369 -16.808 3.928 1.00 0.45 H new ATOM 0 HG2 GLU A 843 -13.704 -18.366 4.881 1.00 0.57 H new ATOM 0 HG3 GLU A 843 -13.523 -19.484 3.544 1.00 0.57 H new ATOM 1072 N ASN A 844 -13.898 -15.734 1.078 1.00 0.54 N ATOM 1073 CA ASN A 844 -15.013 -14.808 0.915 1.00 0.77 C ATOM 1074 C ASN A 844 -14.981 -14.155 -0.463 1.00 0.81 C ATOM 1075 O ASN A 844 -15.583 -13.101 -0.673 1.00 1.48 O ATOM 1076 CB ASN A 844 -14.973 -13.731 2.001 1.00 0.89 C ATOM 1077 CG ASN A 844 -13.651 -13.698 2.743 1.00 1.06 C ATOM 1078 OD1 ASN A 844 -12.670 -13.132 2.261 1.00 1.96 O ATOM 1079 ND2 ASN A 844 -13.618 -14.304 3.924 1.00 1.05 N ATOM 0 H ASN A 844 -13.085 -15.520 0.500 1.00 0.54 H new ATOM 0 HA ASN A 844 -15.939 -15.375 1.008 1.00 0.77 H new ATOM 0 HB2 ASN A 844 -15.155 -12.757 1.548 1.00 0.89 H new ATOM 0 HB3 ASN A 844 -15.780 -13.908 2.712 1.00 0.89 H new ATOM 0 HD21 ASN A 844 -12.756 -14.312 4.469 1.00 1.05 H new ATOM 0 HD22 ASN A 844 -14.455 -14.761 4.286 1.00 1.05 H new ATOM 1086 N ASN A 845 -14.272 -14.787 -1.395 1.00 0.49 N ATOM 1087 CA ASN A 845 -14.156 -14.271 -2.756 1.00 0.56 C ATOM 1088 C ASN A 845 -13.553 -12.869 -2.760 1.00 0.48 C ATOM 1089 O ASN A 845 -13.687 -12.129 -3.735 1.00 0.57 O ATOM 1090 CB ASN A 845 -15.524 -14.255 -3.442 1.00 0.73 C ATOM 1091 CG ASN A 845 -15.422 -14.420 -4.946 1.00 1.33 C ATOM 1092 OD1 ASN A 845 -15.607 -13.466 -5.701 1.00 1.99 O ATOM 1093 ND2 ASN A 845 -15.124 -15.636 -5.389 1.00 1.97 N ATOM 0 H ASN A 845 -13.768 -15.659 -1.232 1.00 0.49 H new ATOM 0 HA ASN A 845 -13.491 -14.933 -3.310 1.00 0.56 H new ATOM 0 HB2 ASN A 845 -16.141 -15.055 -3.033 1.00 0.73 H new ATOM 0 HB3 ASN A 845 -16.029 -13.316 -3.216 1.00 0.73 H new ATOM 0 HD21 ASN A 845 -15.040 -15.807 -6.391 1.00 1.97 H new ATOM 0 HD22 ASN A 845 -14.979 -16.398 -4.727 1.00 1.97 H new ATOM 1100 N GLU A 846 -12.889 -12.512 -1.666 1.00 0.35 N ATOM 1101 CA GLU A 846 -12.265 -11.201 -1.543 1.00 0.31 C ATOM 1102 C GLU A 846 -11.037 -11.099 -2.441 1.00 0.30 C ATOM 1103 O GLU A 846 -10.293 -12.065 -2.604 1.00 0.49 O ATOM 1104 CB GLU A 846 -11.868 -10.936 -0.089 1.00 0.33 C ATOM 1105 CG GLU A 846 -12.722 -9.879 0.591 1.00 0.44 C ATOM 1106 CD GLU A 846 -12.852 -10.109 2.084 1.00 1.38 C ATOM 1107 OE1 GLU A 846 -11.832 -10.441 2.725 1.00 2.30 O ATOM 1108 OE2 GLU A 846 -13.973 -9.958 2.613 1.00 1.69 O ATOM 0 H GLU A 846 -12.769 -13.114 -0.851 1.00 0.35 H new ATOM 0 HA GLU A 846 -12.990 -10.450 -1.858 1.00 0.31 H new ATOM 0 HB2 GLU A 846 -11.940 -11.867 0.474 1.00 0.33 H new ATOM 0 HB3 GLU A 846 -10.824 -10.624 -0.057 1.00 0.33 H new ATOM 0 HG2 GLU A 846 -12.286 -8.896 0.415 1.00 0.44 H new ATOM 0 HG3 GLU A 846 -13.714 -9.873 0.140 1.00 0.44 H new ATOM 1115 N LYS A 847 -10.831 -9.921 -3.021 1.00 0.27 N ATOM 1116 CA LYS A 847 -9.695 -9.688 -3.903 1.00 0.31 C ATOM 1117 C LYS A 847 -9.040 -8.346 -3.597 1.00 0.36 C ATOM 1118 O LYS A 847 -8.248 -7.835 -4.389 1.00 0.67 O ATOM 1119 CB LYS A 847 -10.142 -9.729 -5.366 1.00 0.38 C ATOM 1120 CG LYS A 847 -10.832 -11.025 -5.757 1.00 0.69 C ATOM 1121 CD LYS A 847 -10.810 -11.236 -7.262 1.00 0.97 C ATOM 1122 CE LYS A 847 -11.963 -12.118 -7.717 1.00 1.32 C ATOM 1123 NZ LYS A 847 -11.603 -12.933 -8.909 1.00 1.98 N ATOM 0 H LYS A 847 -11.438 -9.111 -2.895 1.00 0.27 H new ATOM 0 HA LYS A 847 -8.964 -10.478 -3.732 1.00 0.31 H new ATOM 0 HB2 LYS A 847 -10.820 -8.896 -5.553 1.00 0.38 H new ATOM 0 HB3 LYS A 847 -9.272 -9.583 -6.007 1.00 0.38 H new ATOM 0 HG2 LYS A 847 -10.340 -11.863 -5.264 1.00 0.69 H new ATOM 0 HG3 LYS A 847 -11.864 -11.009 -5.406 1.00 0.69 H new ATOM 0 HD2 LYS A 847 -10.867 -10.272 -7.767 1.00 0.97 H new ATOM 0 HD3 LYS A 847 -9.864 -11.693 -7.553 1.00 0.97 H new ATOM 0 HE2 LYS A 847 -12.258 -12.778 -6.902 1.00 1.32 H new ATOM 0 HE3 LYS A 847 -12.826 -11.495 -7.951 1.00 1.32 H new ATOM 0 HZ1 LYS A 847 -12.416 -13.520 -9.187 1.00 1.98 H new ATOM 0 HZ2 LYS A 847 -11.346 -12.303 -9.695 1.00 1.98 H new ATOM 0 HZ3 LYS A 847 -10.796 -13.547 -8.679 1.00 1.98 H new ATOM 1137 N PHE A 848 -9.382 -7.776 -2.444 1.00 0.32 N ATOM 1138 CA PHE A 848 -8.831 -6.490 -2.037 1.00 0.37 C ATOM 1139 C PHE A 848 -8.059 -6.609 -0.727 1.00 0.30 C ATOM 1140 O PHE A 848 -8.569 -7.138 0.261 1.00 0.39 O ATOM 1141 CB PHE A 848 -9.952 -5.460 -1.887 1.00 0.50 C ATOM 1142 CG PHE A 848 -10.947 -5.488 -3.013 1.00 0.52 C ATOM 1143 CD1 PHE A 848 -10.644 -4.912 -4.235 1.00 0.92 C ATOM 1144 CD2 PHE A 848 -12.183 -6.093 -2.848 1.00 0.82 C ATOM 1145 CE1 PHE A 848 -11.555 -4.937 -5.274 1.00 1.09 C ATOM 1146 CE2 PHE A 848 -13.099 -6.119 -3.882 1.00 1.02 C ATOM 1147 CZ PHE A 848 -12.786 -5.542 -5.097 1.00 0.98 C ATOM 0 H PHE A 848 -10.037 -8.185 -1.778 1.00 0.32 H new ATOM 0 HA PHE A 848 -8.139 -6.161 -2.812 1.00 0.37 H new ATOM 0 HB2 PHE A 848 -10.474 -5.638 -0.947 1.00 0.50 H new ATOM 0 HB3 PHE A 848 -9.514 -4.464 -1.825 1.00 0.50 H new ATOM 0 HD1 PHE A 848 -9.684 -4.438 -4.378 1.00 0.92 H new ATOM 0 HD2 PHE A 848 -12.433 -6.549 -1.901 1.00 0.82 H new ATOM 0 HE1 PHE A 848 -11.306 -4.485 -6.223 1.00 1.09 H new ATOM 0 HE2 PHE A 848 -14.060 -6.591 -3.740 1.00 1.02 H new ATOM 0 HZ PHE A 848 -13.500 -5.563 -5.907 1.00 0.98 H new ATOM 1157 N LEU A 849 -6.826 -6.109 -0.729 1.00 0.27 N ATOM 1158 CA LEU A 849 -5.978 -6.152 0.457 1.00 0.23 C ATOM 1159 C LEU A 849 -5.679 -4.741 0.959 1.00 0.24 C ATOM 1160 O LEU A 849 -5.259 -3.876 0.190 1.00 0.32 O ATOM 1161 CB LEU A 849 -4.671 -6.891 0.147 1.00 0.26 C ATOM 1162 CG LEU A 849 -4.075 -7.701 1.307 1.00 0.31 C ATOM 1163 CD1 LEU A 849 -3.380 -6.783 2.300 1.00 0.53 C ATOM 1164 CD2 LEU A 849 -5.148 -8.528 2.005 1.00 0.74 C ATOM 0 H LEU A 849 -6.392 -5.669 -1.540 1.00 0.27 H new ATOM 0 HA LEU A 849 -6.511 -6.690 1.241 1.00 0.23 H new ATOM 0 HB2 LEU A 849 -4.846 -7.566 -0.691 1.00 0.26 H new ATOM 0 HB3 LEU A 849 -3.931 -6.161 -0.181 1.00 0.26 H new ATOM 0 HG LEU A 849 -3.335 -8.386 0.893 1.00 0.31 H new ATOM 0 HD11 LEU A 849 -2.964 -7.376 3.115 1.00 0.53 H new ATOM 0 HD12 LEU A 849 -2.577 -6.244 1.797 1.00 0.53 H new ATOM 0 HD13 LEU A 849 -4.100 -6.070 2.701 1.00 0.53 H new ATOM 0 HD21 LEU A 849 -4.698 -9.092 2.822 1.00 0.74 H new ATOM 0 HD22 LEU A 849 -5.918 -7.866 2.401 1.00 0.74 H new ATOM 0 HD23 LEU A 849 -5.596 -9.219 1.291 1.00 0.74 H new ATOM 1176 N ASN A 850 -5.907 -4.519 2.251 1.00 0.23 N ATOM 1177 CA ASN A 850 -5.674 -3.213 2.864 1.00 0.29 C ATOM 1178 C ASN A 850 -4.289 -3.142 3.501 1.00 0.30 C ATOM 1179 O ASN A 850 -3.815 -4.119 4.079 1.00 0.43 O ATOM 1180 CB ASN A 850 -6.743 -2.936 3.923 1.00 0.37 C ATOM 1181 CG ASN A 850 -8.078 -2.557 3.313 1.00 0.64 C ATOM 1182 OD1 ASN A 850 -8.566 -3.219 2.398 1.00 1.52 O ATOM 1183 ND2 ASN A 850 -8.679 -1.486 3.821 1.00 0.92 N ATOM 0 H ASN A 850 -6.254 -5.229 2.896 1.00 0.23 H new ATOM 0 HA ASN A 850 -5.730 -2.457 2.081 1.00 0.29 H new ATOM 0 HB2 ASN A 850 -6.870 -3.821 4.547 1.00 0.37 H new ATOM 0 HB3 ASN A 850 -6.404 -2.132 4.576 1.00 0.37 H new ATOM 0 HD21 ASN A 850 -9.581 -1.184 3.452 1.00 0.92 H new ATOM 0 HD22 ASN A 850 -8.239 -0.966 4.580 1.00 0.92 H new ATOM 1190 N ILE A 851 -3.643 -1.981 3.393 1.00 0.31 N ATOM 1191 CA ILE A 851 -2.312 -1.787 3.963 1.00 0.36 C ATOM 1192 C ILE A 851 -2.217 -0.457 4.705 1.00 0.53 C ATOM 1193 O ILE A 851 -3.135 0.358 4.646 1.00 0.71 O ATOM 1194 CB ILE A 851 -1.218 -1.851 2.890 1.00 0.41 C ATOM 1195 CG1 ILE A 851 -1.642 -2.814 1.801 1.00 0.54 C ATOM 1196 CG2 ILE A 851 0.104 -2.288 3.496 1.00 0.53 C ATOM 1197 CD1 ILE A 851 -1.122 -2.462 0.426 1.00 1.04 C ATOM 0 H ILE A 851 -4.020 -1.162 2.916 1.00 0.31 H new ATOM 0 HA ILE A 851 -2.153 -2.602 4.669 1.00 0.36 H new ATOM 0 HB ILE A 851 -1.080 -0.858 2.463 1.00 0.41 H new ATOM 0 HG12 ILE A 851 -1.298 -3.815 2.062 1.00 0.54 H new ATOM 0 HG13 ILE A 851 -2.731 -2.850 1.767 1.00 0.54 H new ATOM 0 HG21 ILE A 851 0.866 -2.327 2.718 1.00 0.53 H new ATOM 0 HG22 ILE A 851 0.406 -1.575 4.264 1.00 0.53 H new ATOM 0 HG23 ILE A 851 -0.009 -3.276 3.942 1.00 0.53 H new ATOM 0 HD11 ILE A 851 -1.471 -3.201 -0.295 1.00 1.04 H new ATOM 0 HD12 ILE A 851 -1.487 -1.476 0.140 1.00 1.04 H new ATOM 0 HD13 ILE A 851 -0.032 -2.455 0.440 1.00 1.04 H new ATOM 1209 N ARG A 852 -1.106 -0.241 5.406 1.00 0.59 N ATOM 1210 CA ARG A 852 -0.904 0.994 6.155 1.00 0.80 C ATOM 1211 C ARG A 852 0.416 1.660 5.775 1.00 0.83 C ATOM 1212 O ARG A 852 0.526 2.886 5.781 1.00 1.70 O ATOM 1213 CB ARG A 852 -0.932 0.714 7.657 1.00 1.22 C ATOM 1214 CG ARG A 852 -2.179 1.240 8.348 1.00 2.24 C ATOM 1215 CD ARG A 852 -1.980 2.661 8.846 1.00 3.05 C ATOM 1216 NE ARG A 852 -2.359 2.809 10.249 1.00 3.71 N ATOM 1217 CZ ARG A 852 -2.991 3.873 10.735 1.00 4.39 C ATOM 1218 NH1 ARG A 852 -3.309 4.882 9.935 1.00 4.68 N ATOM 1219 NH2 ARG A 852 -3.306 3.928 12.021 1.00 5.09 N ATOM 0 H ARG A 852 -0.334 -0.905 5.470 1.00 0.59 H new ATOM 0 HA ARG A 852 -1.716 1.675 5.902 1.00 0.80 H new ATOM 0 HB2 ARG A 852 -0.862 -0.362 7.819 1.00 1.22 H new ATOM 0 HB3 ARG A 852 -0.053 1.164 8.119 1.00 1.22 H new ATOM 0 HG2 ARG A 852 -3.020 1.210 7.656 1.00 2.24 H new ATOM 0 HG3 ARG A 852 -2.433 0.591 9.186 1.00 2.24 H new ATOM 0 HD2 ARG A 852 -0.935 2.946 8.721 1.00 3.05 H new ATOM 0 HD3 ARG A 852 -2.572 3.344 8.237 1.00 3.05 H new ATOM 0 HE ARG A 852 -2.125 2.053 10.893 1.00 3.71 H new ATOM 0 HH11 ARG A 852 -3.069 4.843 8.944 1.00 4.68 H new ATOM 0 HH12 ARG A 852 -3.794 5.697 10.310 1.00 4.68 H new ATOM 0 HH21 ARG A 852 -3.064 3.154 12.639 1.00 5.09 H new ATOM 0 HH22 ARG A 852 -3.791 4.745 12.393 1.00 5.09 H new ATOM 1233 N LEU A 853 1.414 0.844 5.445 1.00 0.91 N ATOM 1234 CA LEU A 853 2.730 1.349 5.061 1.00 1.58 C ATOM 1235 C LEU A 853 3.303 2.264 6.141 1.00 2.01 C ATOM 1236 O LEU A 853 4.003 3.232 5.841 1.00 2.60 O ATOM 1237 CB LEU A 853 2.657 2.104 3.729 1.00 1.88 C ATOM 1238 CG LEU A 853 1.588 1.607 2.754 1.00 1.74 C ATOM 1239 CD1 LEU A 853 0.978 2.775 1.996 1.00 1.95 C ATOM 1240 CD2 LEU A 853 2.180 0.593 1.787 1.00 2.38 C ATOM 0 H LEU A 853 1.336 -0.173 5.436 1.00 0.91 H new ATOM 0 HA LEU A 853 3.390 0.490 4.945 1.00 1.58 H new ATOM 0 HB2 LEU A 853 2.474 3.158 3.937 1.00 1.88 H new ATOM 0 HB3 LEU A 853 3.629 2.040 3.240 1.00 1.88 H new ATOM 0 HG LEU A 853 0.799 1.117 3.325 1.00 1.74 H new ATOM 0 HD11 LEU A 853 0.219 2.405 1.306 1.00 1.95 H new ATOM 0 HD12 LEU A 853 0.520 3.467 2.702 1.00 1.95 H new ATOM 0 HD13 LEU A 853 1.757 3.291 1.435 1.00 1.95 H new ATOM 0 HD21 LEU A 853 1.406 0.250 1.101 1.00 2.38 H new ATOM 0 HD22 LEU A 853 2.987 1.058 1.221 1.00 2.38 H new ATOM 0 HD23 LEU A 853 2.572 -0.257 2.346 1.00 2.38 H new ATOM 1252 N TYR A 854 3.002 1.955 7.399 1.00 1.85 N ATOM 1253 CA TYR A 854 3.489 2.754 8.517 1.00 2.27 C ATOM 1254 C TYR A 854 4.467 1.955 9.375 1.00 2.81 C ATOM 1255 O TYR A 854 5.104 2.559 10.264 1.00 3.39 O ATOM 1256 CB TYR A 854 2.312 3.252 9.365 1.00 2.12 C ATOM 1257 CG TYR A 854 1.947 2.344 10.521 1.00 1.65 C ATOM 1258 CD1 TYR A 854 1.417 1.080 10.294 1.00 1.32 C ATOM 1259 CD2 TYR A 854 2.133 2.751 11.837 1.00 1.81 C ATOM 1260 CE1 TYR A 854 1.083 0.247 11.344 1.00 1.08 C ATOM 1261 CE2 TYR A 854 1.802 1.923 12.893 1.00 1.84 C ATOM 1262 CZ TYR A 854 1.278 0.680 12.648 1.00 1.48 C ATOM 1263 OH TYR A 854 0.945 -0.154 13.690 1.00 1.82 O ATOM 1264 OXT TYR A 854 4.586 0.731 9.150 1.00 3.18 O ATOM 0 H TYR A 854 2.424 1.159 7.669 1.00 1.85 H new ATOM 0 HA TYR A 854 4.021 3.616 8.115 1.00 2.27 H new ATOM 0 HB2 TYR A 854 2.554 4.240 9.757 1.00 2.12 H new ATOM 0 HB3 TYR A 854 1.440 3.370 8.722 1.00 2.12 H new ATOM 0 HD1 TYR A 854 1.264 0.743 9.279 1.00 1.32 H new ATOM 0 HD2 TYR A 854 2.543 3.730 12.038 1.00 1.81 H new ATOM 0 HE1 TYR A 854 0.673 -0.734 11.152 1.00 1.08 H new ATOM 0 HE2 TYR A 854 1.956 2.255 13.909 1.00 1.84 H new ATOM 0 HH TYR A 854 1.141 0.291 14.541 1.00 1.82 H new TER 1274 TYR A 854