USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 765 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 819 GLN : amide:sc= 0 X(o=-0.021,f=-0.021) USER MOD Set 1.2: A 850 ASN :FLIP amide:sc= -0.0209 X(o=-0.31,f=-0.021) USER MOD Set 2.1: A 770 ASN : amide:sc= 0.0125 X(o=-1.2,f=-1.2) USER MOD Set 2.2: A 771 ASN : amide:sc=-0.00216 X(o=-1.2,f=-1.2) USER MOD Set 2.3: A 805 THR OG1 : rot 180:sc= -0.314 USER MOD Set 2.4: A 807 ASN : amide:sc= -0.889 K(o=-1.2,f=-4.2!) USER MOD Set 3.1: A 769 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.2) USER MOD Set 3.2: A 772 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 778 SER OG : rot -11:sc= 0.00144 USER MOD Single : A 761 SER OG : rot -103:sc= -0.881! USER MOD Single : A 767 SER OG : rot 180:sc= -0.897 USER MOD Single : A 768 TYR OH : rot 30:sc= 0 USER MOD Single : A 773 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 774 ASN : amide:sc= -0.852 X(o=-0.85,f=-0.65) USER MOD Single : A 775 THR OG1 : rot 180:sc= 0 USER MOD Single : A 776 SER OG : rot 180:sc= 0 USER MOD Single : A 777 SER OG : rot 180:sc= 0 USER MOD Single : A 782 THR OG1 : rot 48:sc= 0.783 USER MOD Single : A 787 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 790 ASN : amide:sc= 0.017 X(o=0.017,f=0) USER MOD Single : A 796 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 799 ASN : amide:sc= -0.0324 X(o=-0.032,f=0) USER MOD Single : A 800 SER OG : rot -76:sc= 0.45 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= -0.181 K(o=-0.18,f=-1.3!) USER MOD Single : A 806 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 808 ASN : amide:sc= -0.367 K(o=-0.37,f=-2.6!) USER MOD Single : A 809 ASN :FLIP amide:sc= -1.05 F(o=-2.8!,f=-1) 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 817 LYS NZ :NH3+ -167:sc= 0.0492 (180deg=0.0195) USER MOD Single : A 818 TYR OH : rot 180:sc= 0 USER MOD Single : A 830 SER OG : rot 104:sc= 0.821 USER MOD Single : A 835 ASN : amide:sc=-0.000176 X(o=-0.00018,f=0) USER MOD Single : A 838 LYS NZ :NH3+ -155:sc= 0.0994 (180deg=-0.0557) USER MOD Single : A 840 MET CE :methyl 169:sc= -0.625 (180deg=-1.27) USER MOD Single : A 844 ASN :FLIP amide:sc= -0.275 F(o=-1.6!,f=-0.27) USER MOD Single : A 845 ASN : amide:sc= -0.0745 X(o=-0.075,f=-0.42) USER MOD Single : A 847 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 854 TYR OH : rot 180:sc= -0.789 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 757 -2.479 -9.640 -21.782 1.00 0.00 N ATOM 2 CA GLY A 757 -3.769 -10.191 -22.281 1.00 0.00 C ATOM 3 C GLY A 757 -4.871 -10.129 -21.237 1.00 0.00 C ATOM 4 O GLY A 757 -4.691 -10.610 -20.117 1.00 0.00 O ATOM 0 HA2 GLY A 757 -4.080 -9.635 -23.166 1.00 0.00 H new ATOM 0 HA3 GLY A 757 -3.623 -11.226 -22.590 1.00 0.00 H new ATOM 10 N PRO A 758 -6.033 -9.538 -21.574 1.00 0.00 N ATOM 11 CA PRO A 758 -7.159 -9.424 -20.643 1.00 0.00 C ATOM 12 C PRO A 758 -7.879 -10.752 -20.438 1.00 0.00 C ATOM 13 O PRO A 758 -8.837 -10.838 -19.668 1.00 0.00 O ATOM 14 CB PRO A 758 -8.081 -8.417 -21.331 1.00 0.00 C ATOM 15 CG PRO A 758 -7.800 -8.584 -22.784 1.00 0.00 C ATOM 16 CD PRO A 758 -6.340 -8.936 -22.887 1.00 0.00 C ATOM 0 HA PRO A 758 -6.837 -9.120 -19.647 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -9.128 -8.618 -21.104 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -7.873 -7.399 -21.001 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -8.422 -9.369 -23.214 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -8.020 -7.668 -23.332 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -6.153 -9.635 -23.702 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -5.728 -8.054 -23.077 1.00 0.00 H new ATOM 24 N LEU A 759 -7.411 -11.786 -21.130 1.00 0.00 N ATOM 25 CA LEU A 759 -8.007 -13.114 -21.024 1.00 0.00 C ATOM 26 C LEU A 759 -7.945 -13.623 -19.587 1.00 0.00 C ATOM 27 O LEU A 759 -8.855 -14.308 -19.122 1.00 0.00 O ATOM 28 CB LEU A 759 -7.292 -14.093 -21.957 1.00 0.00 C ATOM 29 CG LEU A 759 -7.555 -13.878 -23.448 1.00 0.00 C ATOM 30 CD1 LEU A 759 -6.578 -12.863 -24.022 1.00 0.00 C ATOM 31 CD2 LEU A 759 -7.459 -15.196 -24.201 1.00 0.00 C ATOM 0 H LEU A 759 -6.620 -11.730 -21.771 1.00 0.00 H new ATOM 0 HA LEU A 759 -9.053 -13.041 -21.320 1.00 0.00 H new ATOM 0 HB2 LEU A 759 -6.219 -14.022 -21.779 1.00 0.00 H new ATOM 0 HB3 LEU A 759 -7.592 -15.107 -21.693 1.00 0.00 H new ATOM 0 HG LEU A 759 -8.565 -13.487 -23.566 1.00 0.00 H new ATOM 0 HD11 LEU A 759 -6.781 -12.723 -25.084 1.00 0.00 H new ATOM 0 HD12 LEU A 759 -6.694 -11.912 -23.502 1.00 0.00 H new ATOM 0 HD13 LEU A 759 -5.558 -13.226 -23.892 1.00 0.00 H new ATOM 0 HD21 LEU A 759 -7.649 -15.024 -25.261 1.00 0.00 H new ATOM 0 HD22 LEU A 759 -6.461 -15.615 -24.075 1.00 0.00 H new ATOM 0 HD23 LEU A 759 -8.198 -15.894 -23.808 1.00 0.00 H new ATOM 43 N GLY A 760 -6.865 -13.281 -18.892 1.00 0.00 N ATOM 44 CA GLY A 760 -6.702 -13.709 -17.515 1.00 0.00 C ATOM 45 C GLY A 760 -5.710 -12.851 -16.755 1.00 0.00 C ATOM 46 O GLY A 760 -4.526 -13.179 -16.681 1.00 0.00 O ATOM 0 H GLY A 760 -6.100 -12.715 -19.258 1.00 0.00 H new ATOM 0 HA2 GLY A 760 -7.668 -13.676 -17.011 1.00 0.00 H new ATOM 0 HA3 GLY A 760 -6.369 -14.747 -17.497 1.00 0.00 H new ATOM 50 N SER A 761 -6.194 -11.749 -16.190 1.00 0.00 N ATOM 51 CA SER A 761 -5.342 -10.840 -15.432 1.00 0.00 C ATOM 52 C SER A 761 -6.088 -10.270 -14.230 1.00 0.00 C ATOM 53 O SER A 761 -7.304 -10.415 -14.116 1.00 0.00 O ATOM 54 CB SER A 761 -4.851 -9.702 -16.328 1.00 0.00 C ATOM 55 OG SER A 761 -5.510 -9.718 -17.582 1.00 0.00 O ATOM 0 H SER A 761 -7.172 -11.464 -16.243 1.00 0.00 H new ATOM 0 HA SER A 761 -4.483 -11.405 -15.069 1.00 0.00 H new ATOM 0 HB2 SER A 761 -5.025 -8.746 -15.835 1.00 0.00 H new ATOM 0 HB3 SER A 761 -3.775 -9.792 -16.478 1.00 0.00 H new ATOM 0 HG SER A 761 -4.910 -10.090 -18.262 1.00 0.00 H new ATOM 61 N ILE A 762 -5.349 -9.621 -13.336 1.00 0.00 N ATOM 62 CA ILE A 762 -5.938 -9.027 -12.143 1.00 0.00 C ATOM 63 C ILE A 762 -5.608 -7.542 -12.049 1.00 0.00 C ATOM 64 O ILE A 762 -4.444 -7.148 -12.134 1.00 0.00 O ATOM 65 CB ILE A 762 -5.447 -9.735 -10.863 1.00 0.00 C ATOM 66 CG1 ILE A 762 -5.672 -11.245 -10.972 1.00 0.00 C ATOM 67 CG2 ILE A 762 -6.155 -9.176 -9.638 1.00 0.00 C ATOM 68 CD1 ILE A 762 -4.390 -12.041 -11.088 1.00 0.00 C ATOM 0 H ILE A 762 -4.340 -9.493 -13.416 1.00 0.00 H new ATOM 0 HA ILE A 762 -7.018 -9.151 -12.226 1.00 0.00 H new ATOM 0 HB ILE A 762 -4.378 -9.551 -10.753 1.00 0.00 H new ATOM 0 HG12 ILE A 762 -6.224 -11.586 -10.096 1.00 0.00 H new ATOM 0 HG13 ILE A 762 -6.297 -11.449 -11.842 1.00 0.00 H new ATOM 0 HG21 ILE A 762 -5.796 -9.688 -8.745 1.00 0.00 H new ATOM 0 HG22 ILE A 762 -5.948 -8.109 -9.553 1.00 0.00 H new ATOM 0 HG23 ILE A 762 -7.230 -9.330 -9.737 1.00 0.00 H new ATOM 0 HD11 ILE A 762 -4.626 -13.103 -11.161 1.00 0.00 H new ATOM 0 HD12 ILE A 762 -3.847 -11.728 -11.979 1.00 0.00 H new ATOM 0 HD13 ILE A 762 -3.773 -11.867 -10.207 1.00 0.00 H new ATOM 80 N LEU A 763 -6.638 -6.722 -11.872 1.00 0.00 N ATOM 81 CA LEU A 763 -6.456 -5.279 -11.764 1.00 0.00 C ATOM 82 C LEU A 763 -5.792 -4.921 -10.438 1.00 0.00 C ATOM 83 O LEU A 763 -6.461 -4.781 -9.414 1.00 0.00 O ATOM 84 CB LEU A 763 -7.804 -4.560 -11.889 1.00 0.00 C ATOM 85 CG LEU A 763 -7.760 -3.189 -12.574 1.00 0.00 C ATOM 86 CD1 LEU A 763 -6.955 -2.199 -11.746 1.00 0.00 C ATOM 87 CD2 LEU A 763 -7.179 -3.309 -13.975 1.00 0.00 C ATOM 0 H LEU A 763 -7.607 -7.032 -11.800 1.00 0.00 H new ATOM 0 HA LEU A 763 -5.808 -4.953 -12.577 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -8.488 -5.202 -12.444 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -8.223 -4.435 -10.891 1.00 0.00 H new ATOM 0 HG LEU A 763 -8.781 -2.816 -12.655 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -6.937 -1.233 -12.250 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -7.415 -2.087 -10.764 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -5.936 -2.567 -11.629 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -7.156 -2.326 -14.445 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -6.166 -3.707 -13.916 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -7.798 -3.981 -14.569 1.00 0.00 H new ATOM 99 N PHE A 764 -4.471 -4.778 -10.465 1.00 0.00 N ATOM 100 CA PHE A 764 -3.712 -4.440 -9.268 1.00 0.00 C ATOM 101 C PHE A 764 -3.561 -2.929 -9.124 1.00 0.00 C ATOM 102 O PHE A 764 -2.923 -2.277 -9.951 1.00 0.00 O ATOM 103 CB PHE A 764 -2.333 -5.101 -9.313 1.00 0.00 C ATOM 104 CG PHE A 764 -2.078 -6.052 -8.177 1.00 0.00 C ATOM 105 CD1 PHE A 764 -2.979 -7.065 -7.885 1.00 0.00 C ATOM 106 CD2 PHE A 764 -0.934 -5.935 -7.404 1.00 0.00 C ATOM 107 CE1 PHE A 764 -2.744 -7.940 -6.842 1.00 0.00 C ATOM 108 CE2 PHE A 764 -0.694 -6.809 -6.361 1.00 0.00 C ATOM 109 CZ PHE A 764 -1.600 -7.813 -6.078 1.00 0.00 C ATOM 0 H PHE A 764 -3.904 -4.891 -11.305 1.00 0.00 H new ATOM 0 HA PHE A 764 -4.260 -4.813 -8.403 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -2.229 -5.639 -10.255 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -1.568 -4.325 -9.303 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -3.874 -7.171 -8.480 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -0.222 -5.152 -7.619 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -3.455 -8.723 -6.624 1.00 0.00 H new ATOM 0 HE2 PHE A 764 0.202 -6.707 -5.767 1.00 0.00 H new ATOM 0 HZ PHE A 764 -1.415 -8.496 -5.262 1.00 0.00 H new ATOM 119 N ARG A 765 -4.151 -2.380 -8.068 1.00 0.00 N ATOM 120 CA ARG A 765 -4.084 -0.947 -7.810 1.00 0.00 C ATOM 121 C ARG A 765 -2.851 -0.604 -6.979 1.00 0.00 C ATOM 122 O ARG A 765 -2.595 -1.226 -5.949 1.00 0.00 O ATOM 123 CB ARG A 765 -5.347 -0.481 -7.085 1.00 0.00 C ATOM 124 CG ARG A 765 -6.624 -0.724 -7.872 1.00 0.00 C ATOM 125 CD ARG A 765 -7.738 0.211 -7.431 1.00 0.00 C ATOM 126 NE ARG A 765 -8.027 1.231 -8.436 1.00 0.00 N ATOM 127 CZ ARG A 765 -9.096 2.022 -8.400 1.00 0.00 C ATOM 128 NH1 ARG A 765 -9.978 1.908 -7.415 1.00 0.00 N ATOM 129 NH2 ARG A 765 -9.285 2.927 -9.350 1.00 0.00 N ATOM 0 H ARG A 765 -4.682 -2.908 -7.375 1.00 0.00 H new ATOM 0 HA ARG A 765 -4.011 -0.431 -8.767 1.00 0.00 H new ATOM 0 HB2 ARG A 765 -5.417 -0.996 -6.127 1.00 0.00 H new ATOM 0 HB3 ARG A 765 -5.260 0.584 -6.869 1.00 0.00 H new ATOM 0 HG2 ARG A 765 -6.429 -0.583 -8.935 1.00 0.00 H new ATOM 0 HG3 ARG A 765 -6.942 -1.758 -7.740 1.00 0.00 H new ATOM 0 HD2 ARG A 765 -8.640 -0.368 -7.233 1.00 0.00 H new ATOM 0 HD3 ARG A 765 -7.457 0.694 -6.495 1.00 0.00 H new ATOM 0 HE ARG A 765 -7.372 1.343 -9.210 1.00 0.00 H new ATOM 0 HH11 ARG A 765 -9.837 1.212 -6.682 1.00 0.00 H new ATOM 0 HH12 ARG A 765 -10.797 2.516 -7.390 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -8.610 3.017 -10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -10.105 3.533 -9.321 1.00 0.00 H new ATOM 143 N ILE A 766 -2.091 0.389 -7.432 1.00 0.00 N ATOM 144 CA ILE A 766 -0.885 0.809 -6.725 1.00 0.00 C ATOM 145 C ILE A 766 -0.940 2.293 -6.378 1.00 0.00 C ATOM 146 O ILE A 766 -0.552 3.142 -7.180 1.00 0.00 O ATOM 147 CB ILE A 766 0.385 0.537 -7.556 1.00 0.00 C ATOM 148 CG1 ILE A 766 0.358 -0.882 -8.127 1.00 0.00 C ATOM 149 CG2 ILE A 766 1.628 0.748 -6.706 1.00 0.00 C ATOM 150 CD1 ILE A 766 1.051 -1.006 -9.467 1.00 0.00 C ATOM 0 H ILE A 766 -2.288 0.916 -8.283 1.00 0.00 H new ATOM 0 HA ILE A 766 -0.840 0.222 -5.808 1.00 0.00 H new ATOM 0 HB ILE A 766 0.412 1.240 -8.388 1.00 0.00 H new ATOM 0 HG12 ILE A 766 0.832 -1.560 -7.417 1.00 0.00 H new ATOM 0 HG13 ILE A 766 -0.678 -1.204 -8.231 1.00 0.00 H new ATOM 0 HG21 ILE A 766 2.517 0.552 -7.306 1.00 0.00 H new ATOM 0 HG22 ILE A 766 1.652 1.777 -6.346 1.00 0.00 H new ATOM 0 HG23 ILE A 766 1.607 0.067 -5.856 1.00 0.00 H new ATOM 0 HD11 ILE A 766 0.994 -2.038 -9.812 1.00 0.00 H new ATOM 0 HD12 ILE A 766 0.563 -0.354 -10.191 1.00 0.00 H new ATOM 0 HD13 ILE A 766 2.097 -0.716 -9.364 1.00 0.00 H new ATOM 162 N SER A 767 -1.423 2.598 -5.178 1.00 0.00 N ATOM 163 CA SER A 767 -1.527 3.980 -4.727 1.00 0.00 C ATOM 164 C SER A 767 -0.195 4.473 -4.169 1.00 0.00 C ATOM 165 O SER A 767 0.237 4.042 -3.099 1.00 0.00 O ATOM 166 CB SER A 767 -2.620 4.110 -3.665 1.00 0.00 C ATOM 167 OG SER A 767 -3.614 3.115 -3.834 1.00 0.00 O ATOM 0 H SER A 767 -1.748 1.907 -4.501 1.00 0.00 H new ATOM 0 HA SER A 767 -1.790 4.598 -5.586 1.00 0.00 H new ATOM 0 HB2 SER A 767 -2.179 4.023 -2.672 1.00 0.00 H new ATOM 0 HB3 SER A 767 -3.076 5.098 -3.726 1.00 0.00 H new ATOM 0 HG SER A 767 -4.301 3.218 -3.142 1.00 0.00 H new ATOM 173 N TYR A 768 0.450 5.377 -4.900 1.00 0.00 N ATOM 174 CA TYR A 768 1.733 5.928 -4.479 1.00 0.00 C ATOM 175 C TYR A 768 1.609 7.416 -4.165 1.00 0.00 C ATOM 176 O TYR A 768 0.894 8.148 -4.851 1.00 0.00 O ATOM 177 CB TYR A 768 2.788 5.709 -5.566 1.00 0.00 C ATOM 178 CG TYR A 768 4.195 6.050 -5.125 1.00 0.00 C ATOM 179 CD1 TYR A 768 4.806 5.354 -4.089 1.00 0.00 C ATOM 180 CD2 TYR A 768 4.913 7.067 -5.745 1.00 0.00 C ATOM 181 CE1 TYR A 768 6.092 5.662 -3.683 1.00 0.00 C ATOM 182 CE2 TYR A 768 6.198 7.379 -5.345 1.00 0.00 C ATOM 183 CZ TYR A 768 6.782 6.675 -4.315 1.00 0.00 C ATOM 184 OH TYR A 768 8.061 6.985 -3.914 1.00 0.00 O ATOM 0 H TYR A 768 0.105 5.743 -5.787 1.00 0.00 H new ATOM 0 HA TYR A 768 2.044 5.409 -3.572 1.00 0.00 H new ATOM 0 HB2 TYR A 768 2.759 4.667 -5.884 1.00 0.00 H new ATOM 0 HB3 TYR A 768 2.532 6.315 -6.435 1.00 0.00 H new ATOM 0 HD1 TYR A 768 4.268 4.560 -3.593 1.00 0.00 H new ATOM 0 HD2 TYR A 768 4.459 7.622 -6.552 1.00 0.00 H new ATOM 0 HE1 TYR A 768 6.553 5.112 -2.876 1.00 0.00 H new ATOM 0 HE2 TYR A 768 6.742 8.171 -5.838 1.00 0.00 H new ATOM 0 HH TYR A 768 8.498 6.180 -3.565 1.00 0.00 H new ATOM 194 N ASN A 769 2.310 7.858 -3.124 1.00 0.00 N ATOM 195 CA ASN A 769 2.280 9.258 -2.718 1.00 0.00 C ATOM 196 C ASN A 769 3.649 9.906 -2.894 1.00 0.00 C ATOM 197 O ASN A 769 4.665 9.362 -2.461 1.00 0.00 O ATOM 198 CB ASN A 769 1.828 9.378 -1.260 1.00 0.00 C ATOM 199 CG ASN A 769 0.387 9.830 -1.134 1.00 0.00 C ATOM 200 OD1 ASN A 769 -0.094 10.637 -1.930 1.00 0.00 O ATOM 201 ND2 ASN A 769 -0.310 9.310 -0.131 1.00 0.00 N ATOM 0 H ASN A 769 2.906 7.265 -2.546 1.00 0.00 H new ATOM 0 HA ASN A 769 1.567 9.780 -3.356 1.00 0.00 H new ATOM 0 HB2 ASN A 769 1.947 8.414 -0.766 1.00 0.00 H new ATOM 0 HB3 ASN A 769 2.474 10.085 -0.740 1.00 0.00 H new ATOM 0 HD21 ASN A 769 -1.285 9.576 0.004 1.00 0.00 H new ATOM 0 HD22 ASN A 769 0.130 8.644 0.505 1.00 0.00 H new ATOM 208 N ASN A 770 3.667 11.072 -3.533 1.00 0.00 N ATOM 209 CA ASN A 770 4.913 11.796 -3.768 1.00 0.00 C ATOM 210 C ASN A 770 5.312 12.609 -2.540 1.00 0.00 C ATOM 211 O ASN A 770 6.497 12.840 -2.296 1.00 0.00 O ATOM 212 CB ASN A 770 4.768 12.717 -4.980 1.00 0.00 C ATOM 213 CG ASN A 770 6.107 13.201 -5.501 1.00 0.00 C ATOM 214 OD1 ASN A 770 6.708 12.576 -6.374 1.00 0.00 O ATOM 215 ND2 ASN A 770 6.581 14.320 -4.967 1.00 0.00 N ATOM 0 H ASN A 770 2.834 11.536 -3.897 1.00 0.00 H new ATOM 0 HA ASN A 770 5.698 11.066 -3.966 1.00 0.00 H new ATOM 0 HB2 ASN A 770 4.242 12.188 -5.774 1.00 0.00 H new ATOM 0 HB3 ASN A 770 4.155 13.576 -4.709 1.00 0.00 H new ATOM 0 HD21 ASN A 770 7.477 14.694 -5.279 1.00 0.00 H new ATOM 0 HD22 ASN A 770 6.049 14.806 -4.245 1.00 0.00 H new ATOM 222 N ASN A 771 4.317 13.038 -1.770 1.00 0.00 N ATOM 223 CA ASN A 771 4.566 13.824 -0.565 1.00 0.00 C ATOM 224 C ASN A 771 3.712 13.325 0.596 1.00 0.00 C ATOM 225 O ASN A 771 4.080 13.481 1.760 1.00 0.00 O ATOM 226 CB ASN A 771 4.279 15.304 -0.826 1.00 0.00 C ATOM 227 CG ASN A 771 5.372 15.972 -1.637 1.00 0.00 C ATOM 228 OD1 ASN A 771 5.154 16.379 -2.778 1.00 0.00 O ATOM 229 ND2 ASN A 771 6.558 16.088 -1.049 1.00 0.00 N ATOM 0 H ASN A 771 3.331 12.855 -1.958 1.00 0.00 H new ATOM 0 HA ASN A 771 5.616 13.708 -0.297 1.00 0.00 H new ATOM 0 HB2 ASN A 771 3.330 15.399 -1.353 1.00 0.00 H new ATOM 0 HB3 ASN A 771 4.168 15.823 0.126 1.00 0.00 H new ATOM 0 HD21 ASN A 771 7.332 16.529 -1.545 1.00 0.00 H new ATOM 0 HD22 ASN A 771 6.694 15.736 -0.101 1.00 0.00 H new ATOM 236 N SER A 772 2.569 12.725 0.266 1.00 0.00 N ATOM 237 CA SER A 772 1.652 12.198 1.274 1.00 0.00 C ATOM 238 C SER A 772 1.144 13.308 2.192 1.00 0.00 C ATOM 239 O SER A 772 1.636 14.435 2.152 1.00 0.00 O ATOM 240 CB SER A 772 2.336 11.106 2.103 1.00 0.00 C ATOM 241 OG SER A 772 1.397 10.147 2.557 1.00 0.00 O ATOM 0 H SER A 772 2.256 12.592 -0.696 1.00 0.00 H new ATOM 0 HA SER A 772 0.798 11.766 0.753 1.00 0.00 H new ATOM 0 HB2 SER A 772 3.101 10.614 1.502 1.00 0.00 H new ATOM 0 HB3 SER A 772 2.842 11.557 2.957 1.00 0.00 H new ATOM 0 HG SER A 772 1.859 9.460 3.082 1.00 0.00 H new ATOM 247 N ASN A 773 0.155 12.976 3.017 1.00 0.00 N ATOM 248 CA ASN A 773 -0.427 13.938 3.948 1.00 0.00 C ATOM 249 C ASN A 773 -0.868 15.206 3.224 1.00 0.00 C ATOM 250 O ASN A 773 -0.664 16.318 3.715 1.00 0.00 O ATOM 251 CB ASN A 773 0.577 14.283 5.049 1.00 0.00 C ATOM 252 CG ASN A 773 0.014 14.053 6.437 1.00 0.00 C ATOM 253 OD1 ASN A 773 -0.602 14.942 7.024 1.00 0.00 O ATOM 254 ND2 ASN A 773 0.220 12.853 6.968 1.00 0.00 N ATOM 0 H ASN A 773 -0.261 12.046 3.060 1.00 0.00 H new ATOM 0 HA ASN A 773 -1.308 13.481 4.399 1.00 0.00 H new ATOM 0 HB2 ASN A 773 1.475 13.680 4.920 1.00 0.00 H new ATOM 0 HB3 ASN A 773 0.877 15.326 4.950 1.00 0.00 H new ATOM 0 HD21 ASN A 773 -0.138 12.639 7.899 1.00 0.00 H new ATOM 0 HD22 ASN A 773 0.736 12.146 6.445 1.00 0.00 H new ATOM 261 N ASN A 774 -1.475 15.032 2.054 1.00 0.00 N ATOM 262 CA ASN A 774 -1.948 16.162 1.261 1.00 0.00 C ATOM 263 C ASN A 774 -3.448 16.360 1.443 1.00 0.00 C ATOM 264 O ASN A 774 -3.891 17.385 1.961 1.00 0.00 O ATOM 265 CB ASN A 774 -1.625 15.947 -0.220 1.00 0.00 C ATOM 266 CG ASN A 774 -0.695 14.771 -0.448 1.00 0.00 C ATOM 267 OD1 ASN A 774 0.513 14.943 -0.618 1.00 0.00 O ATOM 268 ND2 ASN A 774 -1.254 13.566 -0.452 1.00 0.00 N ATOM 0 H ASN A 774 -1.651 14.119 1.634 1.00 0.00 H new ATOM 0 HA ASN A 774 -1.435 17.059 1.609 1.00 0.00 H new ATOM 0 HB2 ASN A 774 -2.552 15.785 -0.771 1.00 0.00 H new ATOM 0 HB3 ASN A 774 -1.168 16.851 -0.624 1.00 0.00 H new ATOM 0 HD21 ASN A 774 -0.678 12.737 -0.600 1.00 0.00 H new ATOM 0 HD22 ASN A 774 -2.259 13.470 -0.307 1.00 0.00 H new ATOM 275 N THR A 775 -4.225 15.370 1.015 1.00 0.00 N ATOM 276 CA THR A 775 -5.677 15.429 1.130 1.00 0.00 C ATOM 277 C THR A 775 -6.283 14.030 1.125 1.00 0.00 C ATOM 278 O THR A 775 -6.730 13.532 2.159 1.00 0.00 O ATOM 279 CB THR A 775 -6.298 16.252 -0.014 1.00 0.00 C ATOM 280 OG1 THR A 775 -5.405 16.291 -1.133 1.00 0.00 O ATOM 281 CG2 THR A 775 -6.606 17.671 0.444 1.00 0.00 C ATOM 0 H THR A 775 -3.872 14.515 0.584 1.00 0.00 H new ATOM 0 HA THR A 775 -5.902 15.916 2.079 1.00 0.00 H new ATOM 0 HB THR A 775 -7.230 15.772 -0.311 1.00 0.00 H new ATOM 0 HG1 THR A 775 -5.809 16.815 -1.856 1.00 0.00 H new ATOM 0 HG21 THR A 775 -7.044 18.233 -0.381 1.00 0.00 H new ATOM 0 HG22 THR A 775 -7.310 17.640 1.276 1.00 0.00 H new ATOM 0 HG23 THR A 775 -5.685 18.157 0.766 1.00 0.00 H new ATOM 289 N SER A 776 -6.292 13.400 -0.046 1.00 0.00 N ATOM 290 CA SER A 776 -6.839 12.055 -0.190 1.00 0.00 C ATOM 291 C SER A 776 -6.465 11.462 -1.545 1.00 0.00 C ATOM 292 O SER A 776 -6.258 10.255 -1.669 1.00 0.00 O ATOM 293 CB SER A 776 -8.361 12.078 -0.031 1.00 0.00 C ATOM 294 OG SER A 776 -8.930 13.167 -0.735 1.00 0.00 O ATOM 0 H SER A 776 -5.926 13.800 -0.910 1.00 0.00 H new ATOM 0 HA SER A 776 -6.411 11.429 0.593 1.00 0.00 H new ATOM 0 HB2 SER A 776 -8.783 11.143 -0.399 1.00 0.00 H new ATOM 0 HB3 SER A 776 -8.618 12.150 1.026 1.00 0.00 H new ATOM 0 HG SER A 776 -9.903 13.159 -0.619 1.00 0.00 H new ATOM 300 N SER A 777 -6.382 12.321 -2.556 1.00 0.00 N ATOM 301 CA SER A 777 -6.032 11.888 -3.903 1.00 0.00 C ATOM 302 C SER A 777 -4.606 11.348 -3.951 1.00 0.00 C ATOM 303 O SER A 777 -3.681 11.962 -3.418 1.00 0.00 O ATOM 304 CB SER A 777 -6.183 13.049 -4.889 1.00 0.00 C ATOM 305 OG SER A 777 -5.473 14.192 -4.444 1.00 0.00 O ATOM 0 H SER A 777 -6.553 13.323 -2.467 1.00 0.00 H new ATOM 0 HA SER A 777 -6.713 11.086 -4.187 1.00 0.00 H new ATOM 0 HB2 SER A 777 -5.815 12.747 -5.870 1.00 0.00 H new ATOM 0 HB3 SER A 777 -7.238 13.295 -5.006 1.00 0.00 H new ATOM 0 HG SER A 777 -5.584 14.919 -5.092 1.00 0.00 H new ATOM 311 N SER A 778 -4.437 10.195 -4.591 1.00 0.00 N ATOM 312 CA SER A 778 -3.125 9.569 -4.709 1.00 0.00 C ATOM 313 C SER A 778 -2.839 9.177 -6.155 1.00 0.00 C ATOM 314 O SER A 778 -3.585 9.539 -7.065 1.00 0.00 O ATOM 315 CB SER A 778 -3.045 8.335 -3.809 1.00 0.00 C ATOM 316 OG SER A 778 -2.143 8.545 -2.735 1.00 0.00 O ATOM 0 H SER A 778 -5.193 9.675 -5.036 1.00 0.00 H new ATOM 0 HA SER A 778 -2.373 10.292 -4.392 1.00 0.00 H new ATOM 0 HB2 SER A 778 -4.035 8.102 -3.417 1.00 0.00 H new ATOM 0 HB3 SER A 778 -2.724 7.474 -4.395 1.00 0.00 H new ATOM 0 HG SER A 778 -1.628 9.363 -2.896 1.00 0.00 H new ATOM 322 N GLU A 779 -1.754 8.436 -6.360 1.00 0.00 N ATOM 323 CA GLU A 779 -1.372 7.993 -7.697 1.00 0.00 C ATOM 324 C GLU A 779 -1.573 6.488 -7.847 1.00 0.00 C ATOM 325 O GLU A 779 -0.610 5.723 -7.902 1.00 0.00 O ATOM 326 CB GLU A 779 0.087 8.357 -7.981 1.00 0.00 C ATOM 327 CG GLU A 779 0.338 9.854 -8.053 1.00 0.00 C ATOM 328 CD GLU A 779 -0.038 10.443 -9.398 1.00 0.00 C ATOM 329 OE1 GLU A 779 -1.228 10.772 -9.590 1.00 0.00 O ATOM 330 OE2 GLU A 779 0.857 10.575 -10.259 1.00 0.00 O ATOM 0 H GLU A 779 -1.124 8.130 -5.618 1.00 0.00 H new ATOM 0 HA GLU A 779 -2.011 8.501 -8.419 1.00 0.00 H new ATOM 0 HB2 GLU A 779 0.718 7.928 -7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 779 0.390 7.901 -8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 779 -0.233 10.353 -7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 779 1.391 10.052 -7.855 1.00 0.00 H new ATOM 337 N ILE A 780 -2.834 6.071 -7.913 1.00 0.00 N ATOM 338 CA ILE A 780 -3.170 4.660 -8.055 1.00 0.00 C ATOM 339 C ILE A 780 -2.976 4.190 -9.493 1.00 0.00 C ATOM 340 O ILE A 780 -3.612 4.702 -10.414 1.00 0.00 O ATOM 341 CB ILE A 780 -4.626 4.386 -7.631 1.00 0.00 C ATOM 342 CG1 ILE A 780 -4.904 4.991 -6.254 1.00 0.00 C ATOM 343 CG2 ILE A 780 -4.906 2.891 -7.623 1.00 0.00 C ATOM 344 CD1 ILE A 780 -6.370 5.273 -6.004 1.00 0.00 C ATOM 0 H ILE A 780 -3.641 6.693 -7.870 1.00 0.00 H new ATOM 0 HA ILE A 780 -2.496 4.107 -7.401 1.00 0.00 H new ATOM 0 HB ILE A 780 -5.291 4.856 -8.355 1.00 0.00 H new ATOM 0 HG12 ILE A 780 -4.537 4.310 -5.486 1.00 0.00 H new ATOM 0 HG13 ILE A 780 -4.341 5.919 -6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 780 -5.939 2.716 -7.321 1.00 0.00 H new ATOM 0 HG22 ILE A 780 -4.746 2.486 -8.622 1.00 0.00 H new ATOM 0 HG23 ILE A 780 -4.234 2.399 -6.920 1.00 0.00 H new ATOM 0 HD11 ILE A 780 -6.494 5.701 -5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 780 -6.737 5.978 -6.750 1.00 0.00 H new ATOM 0 HD13 ILE A 780 -6.936 4.344 -6.072 1.00 0.00 H new ATOM 356 N PHE A 781 -2.099 3.208 -9.675 1.00 0.00 N ATOM 357 CA PHE A 781 -1.827 2.662 -11.000 1.00 0.00 C ATOM 358 C PHE A 781 -2.659 1.409 -11.246 1.00 0.00 C ATOM 359 O PHE A 781 -3.323 0.907 -10.338 1.00 0.00 O ATOM 360 CB PHE A 781 -0.339 2.342 -11.152 1.00 0.00 C ATOM 361 CG PHE A 781 0.566 3.486 -10.786 1.00 0.00 C ATOM 362 CD1 PHE A 781 0.452 4.710 -11.426 1.00 0.00 C ATOM 363 CD2 PHE A 781 1.530 3.335 -9.802 1.00 0.00 C ATOM 364 CE1 PHE A 781 1.283 5.762 -11.090 1.00 0.00 C ATOM 365 CE2 PHE A 781 2.363 4.383 -9.462 1.00 0.00 C ATOM 366 CZ PHE A 781 2.240 5.598 -10.108 1.00 0.00 C ATOM 0 H PHE A 781 -1.565 2.774 -8.922 1.00 0.00 H new ATOM 0 HA PHE A 781 -2.102 3.413 -11.740 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -0.095 1.483 -10.527 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -0.143 2.051 -12.184 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -0.294 4.843 -12.195 1.00 0.00 H new ATOM 0 HD2 PHE A 781 1.631 2.387 -9.295 1.00 0.00 H new ATOM 0 HE1 PHE A 781 1.184 6.712 -11.595 1.00 0.00 H new ATOM 0 HE2 PHE A 781 3.109 4.253 -8.692 1.00 0.00 H new ATOM 0 HZ PHE A 781 2.891 6.418 -9.845 1.00 0.00 H new ATOM 376 N THR A 782 -2.623 0.910 -12.477 1.00 0.00 N ATOM 377 CA THR A 782 -3.378 -0.284 -12.837 1.00 0.00 C ATOM 378 C THR A 782 -2.539 -1.238 -13.682 1.00 0.00 C ATOM 379 O THR A 782 -2.466 -1.102 -14.903 1.00 0.00 O ATOM 380 CB THR A 782 -4.661 0.076 -13.611 1.00 0.00 C ATOM 381 OG1 THR A 782 -4.332 0.836 -14.779 1.00 0.00 O ATOM 382 CG2 THR A 782 -5.615 0.873 -12.734 1.00 0.00 C ATOM 0 H THR A 782 -2.080 1.313 -13.241 1.00 0.00 H new ATOM 0 HA THR A 782 -3.649 -0.777 -11.904 1.00 0.00 H new ATOM 0 HB THR A 782 -5.152 -0.851 -13.908 1.00 0.00 H new ATOM 0 HG1 THR A 782 -3.595 0.400 -15.256 1.00 0.00 H new ATOM 0 HG21 THR A 782 -6.514 1.116 -13.301 1.00 0.00 H new ATOM 0 HG22 THR A 782 -5.887 0.281 -11.860 1.00 0.00 H new ATOM 0 HG23 THR A 782 -5.129 1.794 -12.412 1.00 0.00 H new ATOM 390 N LEU A 783 -1.911 -2.207 -13.022 1.00 0.00 N ATOM 391 CA LEU A 783 -1.079 -3.187 -13.712 1.00 0.00 C ATOM 392 C LEU A 783 -1.779 -4.540 -13.777 1.00 0.00 C ATOM 393 O LEU A 783 -2.106 -5.131 -12.747 1.00 0.00 O ATOM 394 CB LEU A 783 0.272 -3.332 -13.007 1.00 0.00 C ATOM 395 CG LEU A 783 1.490 -3.316 -13.933 1.00 0.00 C ATOM 396 CD1 LEU A 783 2.742 -2.924 -13.162 1.00 0.00 C ATOM 397 CD2 LEU A 783 1.674 -4.672 -14.595 1.00 0.00 C ATOM 0 H LEU A 783 -1.963 -2.334 -12.011 1.00 0.00 H new ATOM 0 HA LEU A 783 -0.911 -2.833 -14.729 1.00 0.00 H new ATOM 0 HB2 LEU A 783 0.375 -2.525 -12.282 1.00 0.00 H new ATOM 0 HB3 LEU A 783 0.273 -4.266 -12.446 1.00 0.00 H new ATOM 0 HG LEU A 783 1.320 -2.573 -14.712 1.00 0.00 H new ATOM 0 HD11 LEU A 783 3.598 -2.918 -13.837 1.00 0.00 H new ATOM 0 HD12 LEU A 783 2.610 -1.930 -12.735 1.00 0.00 H new ATOM 0 HD13 LEU A 783 2.916 -3.643 -12.361 1.00 0.00 H new ATOM 0 HD21 LEU A 783 2.545 -4.642 -15.250 1.00 0.00 H new ATOM 0 HD22 LEU A 783 1.822 -5.434 -13.829 1.00 0.00 H new ATOM 0 HD23 LEU A 783 0.787 -4.914 -15.181 1.00 0.00 H new ATOM 409 N LEU A 784 -2.009 -5.022 -14.993 1.00 0.00 N ATOM 410 CA LEU A 784 -2.673 -6.306 -15.196 1.00 0.00 C ATOM 411 C LEU A 784 -1.738 -7.463 -14.856 1.00 0.00 C ATOM 412 O LEU A 784 -0.992 -7.944 -15.711 1.00 0.00 O ATOM 413 CB LEU A 784 -3.157 -6.430 -16.642 1.00 0.00 C ATOM 414 CG LEU A 784 -4.606 -6.000 -16.879 1.00 0.00 C ATOM 415 CD1 LEU A 784 -4.715 -4.484 -16.911 1.00 0.00 C ATOM 416 CD2 LEU A 784 -5.134 -6.602 -18.174 1.00 0.00 C ATOM 0 H LEU A 784 -1.746 -4.543 -15.854 1.00 0.00 H new ATOM 0 HA LEU A 784 -3.533 -6.352 -14.528 1.00 0.00 H new ATOM 0 HB2 LEU A 784 -2.507 -5.830 -17.279 1.00 0.00 H new ATOM 0 HB3 LEU A 784 -3.045 -7.467 -16.959 1.00 0.00 H new ATOM 0 HG LEU A 784 -5.215 -6.369 -16.054 1.00 0.00 H new ATOM 0 HD11 LEU A 784 -5.753 -4.197 -17.081 1.00 0.00 H new ATOM 0 HD12 LEU A 784 -4.376 -4.075 -15.959 1.00 0.00 H new ATOM 0 HD13 LEU A 784 -4.094 -4.091 -17.716 1.00 0.00 H new ATOM 0 HD21 LEU A 784 -6.166 -6.286 -18.328 1.00 0.00 H new ATOM 0 HD22 LEU A 784 -4.522 -6.262 -19.009 1.00 0.00 H new ATOM 0 HD23 LEU A 784 -5.092 -7.690 -18.113 1.00 0.00 H new ATOM 428 N VAL A 785 -1.783 -7.905 -13.603 1.00 0.00 N ATOM 429 CA VAL A 785 -0.943 -9.006 -13.148 1.00 0.00 C ATOM 430 C VAL A 785 -1.492 -10.347 -13.626 1.00 0.00 C ATOM 431 O VAL A 785 -2.685 -10.619 -13.504 1.00 0.00 O ATOM 432 CB VAL A 785 -0.829 -9.032 -11.611 1.00 0.00 C ATOM 433 CG1 VAL A 785 0.313 -9.934 -11.174 1.00 0.00 C ATOM 434 CG2 VAL A 785 -0.645 -7.624 -11.063 1.00 0.00 C ATOM 0 H VAL A 785 -2.393 -7.516 -12.884 1.00 0.00 H new ATOM 0 HA VAL A 785 0.047 -8.845 -13.575 1.00 0.00 H new ATOM 0 HB VAL A 785 -1.756 -9.436 -11.205 1.00 0.00 H new ATOM 0 HG11 VAL A 785 0.377 -9.939 -10.086 1.00 0.00 H new ATOM 0 HG12 VAL A 785 0.133 -10.948 -11.531 1.00 0.00 H new ATOM 0 HG13 VAL A 785 1.249 -9.563 -11.591 1.00 0.00 H new ATOM 0 HG21 VAL A 785 -0.567 -7.664 -9.977 1.00 0.00 H new ATOM 0 HG22 VAL A 785 0.265 -7.189 -11.477 1.00 0.00 H new ATOM 0 HG23 VAL A 785 -1.501 -7.010 -11.343 1.00 0.00 H new ATOM 444 N GLU A 786 -0.612 -11.182 -14.173 1.00 0.00 N ATOM 445 CA GLU A 786 -1.011 -12.495 -14.671 1.00 0.00 C ATOM 446 C GLU A 786 -0.855 -13.560 -13.590 1.00 0.00 C ATOM 447 O GLU A 786 -0.188 -13.339 -12.579 1.00 0.00 O ATOM 448 CB GLU A 786 -0.178 -12.873 -15.898 1.00 0.00 C ATOM 449 CG GLU A 786 0.101 -11.704 -16.829 1.00 0.00 C ATOM 450 CD GLU A 786 -0.382 -11.958 -18.243 1.00 0.00 C ATOM 451 OE1 GLU A 786 -0.037 -13.019 -18.808 1.00 0.00 O ATOM 452 OE2 GLU A 786 -1.104 -11.097 -18.788 1.00 0.00 O ATOM 0 H GLU A 786 0.380 -10.973 -14.282 1.00 0.00 H new ATOM 0 HA GLU A 786 -2.062 -12.443 -14.954 1.00 0.00 H new ATOM 0 HB2 GLU A 786 0.770 -13.297 -15.566 1.00 0.00 H new ATOM 0 HB3 GLU A 786 -0.699 -13.653 -16.454 1.00 0.00 H new ATOM 0 HG2 GLU A 786 -0.384 -10.809 -16.438 1.00 0.00 H new ATOM 0 HG3 GLU A 786 1.172 -11.505 -16.845 1.00 0.00 H new ATOM 459 N LYS A 787 -1.473 -14.717 -13.813 1.00 0.00 N ATOM 460 CA LYS A 787 -1.402 -15.818 -12.858 1.00 0.00 C ATOM 461 C LYS A 787 -0.113 -16.612 -13.044 1.00 0.00 C ATOM 462 O LYS A 787 0.307 -17.353 -12.153 1.00 0.00 O ATOM 463 CB LYS A 787 -2.610 -16.742 -13.020 1.00 0.00 C ATOM 464 CG LYS A 787 -3.946 -16.031 -12.872 1.00 0.00 C ATOM 465 CD LYS A 787 -5.093 -16.896 -13.370 1.00 0.00 C ATOM 466 CE LYS A 787 -6.397 -16.116 -13.426 1.00 0.00 C ATOM 467 NZ LYS A 787 -7.541 -16.911 -12.902 1.00 0.00 N ATOM 0 H LYS A 787 -2.028 -14.916 -14.646 1.00 0.00 H new ATOM 0 HA LYS A 787 -1.410 -15.396 -11.853 1.00 0.00 H new ATOM 0 HB2 LYS A 787 -2.566 -17.214 -14.001 1.00 0.00 H new ATOM 0 HB3 LYS A 787 -2.549 -17.539 -12.279 1.00 0.00 H new ATOM 0 HG2 LYS A 787 -4.109 -15.775 -11.825 1.00 0.00 H new ATOM 0 HG3 LYS A 787 -3.925 -15.095 -13.430 1.00 0.00 H new ATOM 0 HD2 LYS A 787 -4.855 -17.281 -14.362 1.00 0.00 H new ATOM 0 HD3 LYS A 787 -5.212 -17.758 -12.713 1.00 0.00 H new ATOM 0 HE2 LYS A 787 -6.297 -15.198 -12.846 1.00 0.00 H new ATOM 0 HE3 LYS A 787 -6.600 -15.822 -14.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 787 -8.411 -16.345 -12.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 787 -7.653 -17.774 -13.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 787 -7.359 -17.170 -11.911 1.00 0.00 H new ATOM 481 N VAL A 788 0.512 -16.450 -14.207 1.00 0.00 N ATOM 482 CA VAL A 788 1.755 -17.147 -14.514 1.00 0.00 C ATOM 483 C VAL A 788 2.960 -16.363 -14.007 1.00 0.00 C ATOM 484 O VAL A 788 4.073 -16.516 -14.512 1.00 0.00 O ATOM 485 CB VAL A 788 1.909 -17.378 -16.029 1.00 0.00 C ATOM 486 CG1 VAL A 788 0.836 -18.328 -16.536 1.00 0.00 C ATOM 487 CG2 VAL A 788 1.858 -16.054 -16.779 1.00 0.00 C ATOM 0 H VAL A 788 0.176 -15.841 -14.953 1.00 0.00 H new ATOM 0 HA VAL A 788 1.712 -18.112 -14.009 1.00 0.00 H new ATOM 0 HB VAL A 788 2.881 -17.835 -16.211 1.00 0.00 H new ATOM 0 HG11 VAL A 788 0.961 -18.479 -17.608 1.00 0.00 H new ATOM 0 HG12 VAL A 788 0.925 -19.285 -16.022 1.00 0.00 H new ATOM 0 HG13 VAL A 788 -0.148 -17.902 -16.342 1.00 0.00 H new ATOM 0 HG21 VAL A 788 1.968 -16.237 -17.848 1.00 0.00 H new ATOM 0 HG22 VAL A 788 0.902 -15.566 -16.591 1.00 0.00 H new ATOM 0 HG23 VAL A 788 2.667 -15.410 -16.436 1.00 0.00 H new ATOM 497 N TRP A 789 2.729 -15.517 -13.009 1.00 0.00 N ATOM 498 CA TRP A 789 3.789 -14.701 -12.434 1.00 0.00 C ATOM 499 C TRP A 789 4.207 -15.226 -11.064 1.00 0.00 C ATOM 500 O TRP A 789 3.718 -16.260 -10.608 1.00 0.00 O ATOM 501 CB TRP A 789 3.327 -13.248 -12.312 1.00 0.00 C ATOM 502 CG TRP A 789 3.655 -12.404 -13.508 1.00 0.00 C ATOM 503 CD1 TRP A 789 3.981 -12.838 -14.763 1.00 0.00 C ATOM 504 CD2 TRP A 789 3.686 -10.976 -13.558 1.00 0.00 C ATOM 505 NE1 TRP A 789 4.213 -11.763 -15.587 1.00 0.00 N ATOM 506 CE2 TRP A 789 4.039 -10.608 -14.870 1.00 0.00 C ATOM 507 CE3 TRP A 789 3.449 -9.970 -12.617 1.00 0.00 C ATOM 508 CZ2 TRP A 789 4.158 -9.277 -15.262 1.00 0.00 C ATOM 509 CZ3 TRP A 789 3.568 -8.651 -13.008 1.00 0.00 C ATOM 510 CH2 TRP A 789 3.920 -8.315 -14.320 1.00 0.00 C ATOM 0 H TRP A 789 1.813 -15.379 -12.581 1.00 0.00 H new ATOM 0 HA TRP A 789 4.651 -14.753 -13.099 1.00 0.00 H new ATOM 0 HB2 TRP A 789 2.249 -13.232 -12.153 1.00 0.00 H new ATOM 0 HB3 TRP A 789 3.786 -12.804 -11.429 1.00 0.00 H new ATOM 0 HD1 TRP A 789 4.047 -13.874 -15.063 1.00 0.00 H new ATOM 0 HE1 TRP A 789 4.472 -11.816 -16.572 1.00 0.00 H new ATOM 0 HE3 TRP A 789 3.178 -10.220 -11.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 789 4.429 -9.014 -16.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 789 3.386 -7.866 -12.289 1.00 0.00 H new ATOM 0 HH2 TRP A 789 4.005 -7.274 -14.594 1.00 0.00 H new ATOM 521 N ASN A 790 5.110 -14.500 -10.413 1.00 0.00 N ATOM 522 CA ASN A 790 5.595 -14.881 -9.093 1.00 0.00 C ATOM 523 C ASN A 790 5.709 -13.656 -8.190 1.00 0.00 C ATOM 524 O ASN A 790 5.310 -12.556 -8.573 1.00 0.00 O ATOM 525 CB ASN A 790 6.954 -15.577 -9.205 1.00 0.00 C ATOM 526 CG ASN A 790 6.830 -17.088 -9.242 1.00 0.00 C ATOM 527 OD1 ASN A 790 7.007 -17.711 -10.289 1.00 0.00 O ATOM 528 ND2 ASN A 790 6.521 -17.685 -8.096 1.00 0.00 N ATOM 0 H ASN A 790 5.521 -13.642 -10.780 1.00 0.00 H new ATOM 0 HA ASN A 790 4.879 -15.574 -8.652 1.00 0.00 H new ATOM 0 HB2 ASN A 790 7.461 -15.235 -10.107 1.00 0.00 H new ATOM 0 HB3 ASN A 790 7.578 -15.287 -8.360 1.00 0.00 H new ATOM 0 HD21 ASN A 790 6.422 -18.700 -8.060 1.00 0.00 H new ATOM 0 HD22 ASN A 790 6.383 -17.129 -7.252 1.00 0.00 H new ATOM 535 N PHE A 791 6.252 -13.852 -6.993 1.00 0.00 N ATOM 536 CA PHE A 791 6.414 -12.758 -6.042 1.00 0.00 C ATOM 537 C PHE A 791 7.463 -11.763 -6.531 1.00 0.00 C ATOM 538 O PHE A 791 7.259 -10.550 -6.468 1.00 0.00 O ATOM 539 CB PHE A 791 6.809 -13.302 -4.665 1.00 0.00 C ATOM 540 CG PHE A 791 7.285 -12.241 -3.710 1.00 0.00 C ATOM 541 CD1 PHE A 791 6.429 -11.241 -3.278 1.00 0.00 C ATOM 542 CD2 PHE A 791 8.591 -12.246 -3.247 1.00 0.00 C ATOM 543 CE1 PHE A 791 6.866 -10.266 -2.402 1.00 0.00 C ATOM 544 CE2 PHE A 791 9.035 -11.274 -2.370 1.00 0.00 C ATOM 545 CZ PHE A 791 8.170 -10.283 -1.947 1.00 0.00 C ATOM 0 H PHE A 791 6.587 -14.756 -6.659 1.00 0.00 H new ATOM 0 HA PHE A 791 5.459 -12.239 -5.958 1.00 0.00 H new ATOM 0 HB2 PHE A 791 5.953 -13.815 -4.227 1.00 0.00 H new ATOM 0 HB3 PHE A 791 7.596 -14.046 -4.790 1.00 0.00 H new ATOM 0 HD1 PHE A 791 5.408 -11.223 -3.630 1.00 0.00 H new ATOM 0 HD2 PHE A 791 9.270 -13.019 -3.575 1.00 0.00 H new ATOM 0 HE1 PHE A 791 6.189 -9.492 -2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 791 10.055 -11.289 -2.016 1.00 0.00 H new ATOM 0 HZ PHE A 791 8.513 -9.522 -1.261 1.00 0.00 H new ATOM 555 N ASP A 792 8.585 -12.285 -7.017 1.00 0.00 N ATOM 556 CA ASP A 792 9.666 -11.441 -7.514 1.00 0.00 C ATOM 557 C ASP A 792 9.248 -10.718 -8.790 1.00 0.00 C ATOM 558 O ASP A 792 9.607 -9.560 -9.004 1.00 0.00 O ATOM 559 CB ASP A 792 10.917 -12.282 -7.771 1.00 0.00 C ATOM 560 CG ASP A 792 12.123 -11.433 -8.124 1.00 0.00 C ATOM 561 OD1 ASP A 792 12.684 -10.789 -7.212 1.00 0.00 O ATOM 562 OD2 ASP A 792 12.508 -11.413 -9.312 1.00 0.00 O ATOM 0 H ASP A 792 8.769 -13.286 -7.077 1.00 0.00 H new ATOM 0 HA ASP A 792 9.891 -10.692 -6.754 1.00 0.00 H new ATOM 0 HB2 ASP A 792 11.141 -12.875 -6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 792 10.720 -12.983 -8.582 1.00 0.00 H new ATOM 567 N ASP A 793 8.485 -11.407 -9.633 1.00 0.00 N ATOM 568 CA ASP A 793 8.016 -10.826 -10.885 1.00 0.00 C ATOM 569 C ASP A 793 6.960 -9.757 -10.620 1.00 0.00 C ATOM 570 O ASP A 793 6.851 -8.779 -11.360 1.00 0.00 O ATOM 571 CB ASP A 793 7.440 -11.913 -11.794 1.00 0.00 C ATOM 572 CG ASP A 793 8.124 -11.958 -13.146 1.00 0.00 C ATOM 573 OD1 ASP A 793 7.841 -11.075 -13.984 1.00 0.00 O ATOM 574 OD2 ASP A 793 8.942 -12.875 -13.368 1.00 0.00 O ATOM 0 H ASP A 793 8.179 -12.367 -9.472 1.00 0.00 H new ATOM 0 HA ASP A 793 8.866 -10.361 -11.384 1.00 0.00 H new ATOM 0 HB2 ASP A 793 7.542 -12.882 -11.306 1.00 0.00 H new ATOM 0 HB3 ASP A 793 6.374 -11.737 -11.935 1.00 0.00 H new ATOM 579 N LEU A 794 6.188 -9.952 -9.556 1.00 0.00 N ATOM 580 CA LEU A 794 5.139 -9.009 -9.185 1.00 0.00 C ATOM 581 C LEU A 794 5.741 -7.699 -8.685 1.00 0.00 C ATOM 582 O LEU A 794 5.376 -6.619 -9.151 1.00 0.00 O ATOM 583 CB LEU A 794 4.239 -9.619 -8.109 1.00 0.00 C ATOM 584 CG LEU A 794 3.223 -8.659 -7.488 1.00 0.00 C ATOM 585 CD1 LEU A 794 1.833 -9.275 -7.497 1.00 0.00 C ATOM 586 CD2 LEU A 794 3.636 -8.293 -6.071 1.00 0.00 C ATOM 0 H LEU A 794 6.269 -10.756 -8.934 1.00 0.00 H new ATOM 0 HA LEU A 794 4.540 -8.796 -10.070 1.00 0.00 H new ATOM 0 HB2 LEU A 794 3.700 -10.461 -8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 794 4.869 -10.019 -7.315 1.00 0.00 H new ATOM 0 HG LEU A 794 3.198 -7.748 -8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 794 1.123 -8.578 -7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 794 1.536 -9.488 -8.524 1.00 0.00 H new ATOM 0 HD13 LEU A 794 1.842 -10.201 -6.922 1.00 0.00 H new ATOM 0 HD21 LEU A 794 2.903 -7.609 -5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 794 3.688 -9.196 -5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 794 4.613 -7.811 -6.090 1.00 0.00 H new ATOM 598 N ILE A 795 6.666 -7.803 -7.735 1.00 0.00 N ATOM 599 CA ILE A 795 7.319 -6.627 -7.172 1.00 0.00 C ATOM 600 C ILE A 795 8.139 -5.895 -8.232 1.00 0.00 C ATOM 601 O ILE A 795 8.404 -4.699 -8.111 1.00 0.00 O ATOM 602 CB ILE A 795 8.236 -7.006 -5.988 1.00 0.00 C ATOM 603 CG1 ILE A 795 8.659 -5.753 -5.218 1.00 0.00 C ATOM 604 CG2 ILE A 795 9.457 -7.771 -6.478 1.00 0.00 C ATOM 605 CD1 ILE A 795 7.651 -5.314 -4.178 1.00 0.00 C ATOM 0 H ILE A 795 6.980 -8.689 -7.340 1.00 0.00 H new ATOM 0 HA ILE A 795 6.531 -5.966 -6.810 1.00 0.00 H new ATOM 0 HB ILE A 795 7.676 -7.654 -5.313 1.00 0.00 H new ATOM 0 HG12 ILE A 795 9.615 -5.942 -4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 795 8.818 -4.938 -5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 795 10.090 -8.029 -5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 795 9.137 -8.683 -6.982 1.00 0.00 H new ATOM 0 HG23 ILE A 795 10.020 -7.150 -7.175 1.00 0.00 H new ATOM 0 HD11 ILE A 795 8.016 -4.421 -3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 795 6.700 -5.093 -4.663 1.00 0.00 H new ATOM 0 HD13 ILE A 795 7.509 -6.112 -3.449 1.00 0.00 H new ATOM 617 N MET A 796 8.536 -6.623 -9.273 1.00 0.00 N ATOM 618 CA MET A 796 9.324 -6.046 -10.356 1.00 0.00 C ATOM 619 C MET A 796 8.462 -5.164 -11.254 1.00 0.00 C ATOM 620 O MET A 796 8.924 -4.144 -11.766 1.00 0.00 O ATOM 621 CB MET A 796 9.974 -7.155 -11.185 1.00 0.00 C ATOM 622 CG MET A 796 11.432 -6.888 -11.524 1.00 0.00 C ATOM 623 SD MET A 796 11.905 -7.553 -13.132 1.00 0.00 S ATOM 624 CE MET A 796 12.744 -9.058 -12.645 1.00 0.00 C ATOM 0 H MET A 796 8.324 -7.614 -9.388 1.00 0.00 H new ATOM 0 HA MET A 796 10.102 -5.425 -9.912 1.00 0.00 H new ATOM 0 HB2 MET A 796 9.903 -8.095 -10.638 1.00 0.00 H new ATOM 0 HB3 MET A 796 9.412 -7.282 -12.110 1.00 0.00 H new ATOM 0 HG2 MET A 796 11.613 -5.813 -11.512 1.00 0.00 H new ATOM 0 HG3 MET A 796 12.066 -7.326 -10.753 1.00 0.00 H new ATOM 0 HE1 MET A 796 13.096 -9.582 -13.534 1.00 0.00 H new ATOM 0 HE2 MET A 796 13.594 -8.811 -12.009 1.00 0.00 H new ATOM 0 HE3 MET A 796 12.054 -9.698 -12.096 1.00 0.00 H new ATOM 634 N ALA A 797 7.209 -5.566 -11.446 1.00 0.00 N ATOM 635 CA ALA A 797 6.285 -4.814 -12.288 1.00 0.00 C ATOM 636 C ALA A 797 5.935 -3.468 -11.661 1.00 0.00 C ATOM 637 O ALA A 797 5.964 -2.434 -12.332 1.00 0.00 O ATOM 638 CB ALA A 797 5.022 -5.623 -12.541 1.00 0.00 C ATOM 0 H ALA A 797 6.811 -6.408 -11.030 1.00 0.00 H new ATOM 0 HA ALA A 797 6.779 -4.623 -13.241 1.00 0.00 H new ATOM 0 HB1 ALA A 797 4.342 -5.049 -13.171 1.00 0.00 H new ATOM 0 HB2 ALA A 797 5.281 -6.555 -13.043 1.00 0.00 H new ATOM 0 HB3 ALA A 797 4.536 -5.845 -11.591 1.00 0.00 H new ATOM 644 N ILE A 798 5.601 -3.486 -10.374 1.00 0.00 N ATOM 645 CA ILE A 798 5.243 -2.266 -9.659 1.00 0.00 C ATOM 646 C ILE A 798 6.373 -1.244 -9.713 1.00 0.00 C ATOM 647 O ILE A 798 6.154 -0.080 -10.048 1.00 0.00 O ATOM 648 CB ILE A 798 4.902 -2.554 -8.184 1.00 0.00 C ATOM 649 CG1 ILE A 798 3.884 -3.691 -8.084 1.00 0.00 C ATOM 650 CG2 ILE A 798 4.371 -1.298 -7.508 1.00 0.00 C ATOM 651 CD1 ILE A 798 3.955 -4.450 -6.779 1.00 0.00 C ATOM 0 H ILE A 798 5.571 -4.332 -9.805 1.00 0.00 H new ATOM 0 HA ILE A 798 4.362 -1.860 -10.156 1.00 0.00 H new ATOM 0 HB ILE A 798 5.813 -2.862 -7.670 1.00 0.00 H new ATOM 0 HG12 ILE A 798 2.881 -3.282 -8.203 1.00 0.00 H new ATOM 0 HG13 ILE A 798 4.045 -4.386 -8.908 1.00 0.00 H new ATOM 0 HG21 ILE A 798 4.135 -1.517 -6.467 1.00 0.00 H new ATOM 0 HG22 ILE A 798 5.127 -0.514 -7.551 1.00 0.00 H new ATOM 0 HG23 ILE A 798 3.470 -0.962 -8.021 1.00 0.00 H new ATOM 0 HD11 ILE A 798 3.205 -5.241 -6.777 1.00 0.00 H new ATOM 0 HD12 ILE A 798 4.946 -4.889 -6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 798 3.764 -3.768 -5.950 1.00 0.00 H new ATOM 663 N ASN A 799 7.580 -1.687 -9.379 1.00 0.00 N ATOM 664 CA ASN A 799 8.745 -0.811 -9.388 1.00 0.00 C ATOM 665 C ASN A 799 8.992 -0.250 -10.784 1.00 0.00 C ATOM 666 O ASN A 799 9.531 0.847 -10.937 1.00 0.00 O ATOM 667 CB ASN A 799 9.982 -1.566 -8.901 1.00 0.00 C ATOM 668 CG ASN A 799 10.960 -0.665 -8.175 1.00 0.00 C ATOM 669 OD1 ASN A 799 12.073 -0.431 -8.645 1.00 0.00 O ATOM 670 ND2 ASN A 799 10.549 -0.152 -7.021 1.00 0.00 N ATOM 0 H ASN A 799 7.777 -2.648 -9.099 1.00 0.00 H new ATOM 0 HA ASN A 799 8.548 0.021 -8.712 1.00 0.00 H new ATOM 0 HB2 ASN A 799 9.673 -2.373 -8.236 1.00 0.00 H new ATOM 0 HB3 ASN A 799 10.481 -2.028 -9.753 1.00 0.00 H new ATOM 0 HD21 ASN A 799 11.165 0.462 -6.488 1.00 0.00 H new ATOM 0 HD22 ASN A 799 9.618 -0.372 -6.668 1.00 0.00 H new ATOM 677 N SER A 800 8.588 -1.006 -11.800 1.00 0.00 N ATOM 678 CA SER A 800 8.760 -0.582 -13.183 1.00 0.00 C ATOM 679 C SER A 800 7.826 0.579 -13.508 1.00 0.00 C ATOM 680 O SER A 800 8.193 1.498 -14.238 1.00 0.00 O ATOM 681 CB SER A 800 8.496 -1.751 -14.134 1.00 0.00 C ATOM 682 OG SER A 800 7.255 -1.601 -14.799 1.00 0.00 O ATOM 0 H SER A 800 8.139 -1.915 -11.690 1.00 0.00 H new ATOM 0 HA SER A 800 9.789 -0.247 -13.314 1.00 0.00 H new ATOM 0 HB2 SER A 800 9.299 -1.814 -14.868 1.00 0.00 H new ATOM 0 HB3 SER A 800 8.501 -2.686 -13.574 1.00 0.00 H new ATOM 0 HG SER A 800 6.526 -1.829 -14.186 1.00 0.00 H new ATOM 688 N LYS A 801 6.617 0.528 -12.955 1.00 0.00 N ATOM 689 CA LYS A 801 5.628 1.577 -13.180 1.00 0.00 C ATOM 690 C LYS A 801 6.070 2.885 -12.535 1.00 0.00 C ATOM 691 O LYS A 801 5.784 3.969 -13.044 1.00 0.00 O ATOM 692 CB LYS A 801 4.268 1.154 -12.620 1.00 0.00 C ATOM 693 CG LYS A 801 3.130 1.283 -13.619 1.00 0.00 C ATOM 694 CD LYS A 801 3.210 0.216 -14.697 1.00 0.00 C ATOM 695 CE LYS A 801 1.846 -0.067 -15.304 1.00 0.00 C ATOM 696 NZ LYS A 801 1.378 1.053 -16.166 1.00 0.00 N ATOM 0 H LYS A 801 6.299 -0.228 -12.348 1.00 0.00 H new ATOM 0 HA LYS A 801 5.538 1.733 -14.255 1.00 0.00 H new ATOM 0 HB2 LYS A 801 4.329 0.119 -12.284 1.00 0.00 H new ATOM 0 HB3 LYS A 801 4.041 1.761 -11.743 1.00 0.00 H new ATOM 0 HG2 LYS A 801 2.176 1.204 -13.097 1.00 0.00 H new ATOM 0 HG3 LYS A 801 3.160 2.270 -14.080 1.00 0.00 H new ATOM 0 HD2 LYS A 801 3.897 0.538 -15.479 1.00 0.00 H new ATOM 0 HD3 LYS A 801 3.618 -0.701 -14.273 1.00 0.00 H new ATOM 0 HE2 LYS A 801 1.894 -0.983 -15.893 1.00 0.00 H new ATOM 0 HE3 LYS A 801 1.123 -0.238 -14.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 801 0.444 0.821 -16.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 801 1.308 1.922 -15.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 801 2.055 1.200 -16.942 1.00 0.00 H new ATOM 710 N ILE A 802 6.768 2.774 -11.409 1.00 0.00 N ATOM 711 CA ILE A 802 7.252 3.946 -10.688 1.00 0.00 C ATOM 712 C ILE A 802 8.463 4.560 -11.381 1.00 0.00 C ATOM 713 O ILE A 802 8.657 5.775 -11.349 1.00 0.00 O ATOM 714 CB ILE A 802 7.629 3.593 -9.236 1.00 0.00 C ATOM 715 CG1 ILE A 802 6.495 2.807 -8.572 1.00 0.00 C ATOM 716 CG2 ILE A 802 7.946 4.857 -8.450 1.00 0.00 C ATOM 717 CD1 ILE A 802 6.837 2.292 -7.190 1.00 0.00 C ATOM 0 H ILE A 802 7.011 1.883 -10.976 1.00 0.00 H new ATOM 0 HA ILE A 802 6.438 4.671 -10.680 1.00 0.00 H new ATOM 0 HB ILE A 802 8.521 2.966 -9.245 1.00 0.00 H new ATOM 0 HG12 ILE A 802 5.614 3.445 -8.504 1.00 0.00 H new ATOM 0 HG13 ILE A 802 6.229 1.963 -9.209 1.00 0.00 H new ATOM 0 HG21 ILE A 802 8.211 4.592 -7.426 1.00 0.00 H new ATOM 0 HG22 ILE A 802 8.782 5.376 -8.918 1.00 0.00 H new ATOM 0 HG23 ILE A 802 7.073 5.509 -8.442 1.00 0.00 H new ATOM 0 HD11 ILE A 802 5.985 1.746 -6.784 1.00 0.00 H new ATOM 0 HD12 ILE A 802 7.698 1.627 -7.252 1.00 0.00 H new ATOM 0 HD13 ILE A 802 7.074 3.132 -6.537 1.00 0.00 H new ATOM 729 N SER A 803 9.274 3.713 -12.006 1.00 0.00 N ATOM 730 CA SER A 803 10.468 4.174 -12.705 1.00 0.00 C ATOM 731 C SER A 803 10.111 4.764 -14.065 1.00 0.00 C ATOM 732 O SER A 803 10.985 5.217 -14.803 1.00 0.00 O ATOM 733 CB SER A 803 11.459 3.023 -12.878 1.00 0.00 C ATOM 734 OG SER A 803 12.794 3.475 -12.737 1.00 0.00 O ATOM 0 H SER A 803 9.126 2.704 -12.043 1.00 0.00 H new ATOM 0 HA SER A 803 10.931 4.955 -12.103 1.00 0.00 H new ATOM 0 HB2 SER A 803 11.254 2.248 -12.139 1.00 0.00 H new ATOM 0 HB3 SER A 803 11.327 2.570 -13.860 1.00 0.00 H new ATOM 0 HG SER A 803 13.409 2.720 -12.850 1.00 0.00 H new ATOM 740 N ASN A 804 8.821 4.758 -14.388 1.00 0.00 N ATOM 741 CA ASN A 804 8.350 5.297 -15.658 1.00 0.00 C ATOM 742 C ASN A 804 8.078 6.792 -15.540 1.00 0.00 C ATOM 743 O ASN A 804 8.237 7.542 -16.505 1.00 0.00 O ATOM 744 CB ASN A 804 7.084 4.566 -16.108 1.00 0.00 C ATOM 745 CG ASN A 804 7.389 3.394 -17.021 1.00 0.00 C ATOM 746 OD1 ASN A 804 8.343 3.426 -17.798 1.00 0.00 O ATOM 747 ND2 ASN A 804 6.576 2.347 -16.929 1.00 0.00 N ATOM 0 H ASN A 804 8.085 4.386 -13.788 1.00 0.00 H new ATOM 0 HA ASN A 804 9.129 5.145 -16.405 1.00 0.00 H new ATOM 0 HB2 ASN A 804 6.542 4.210 -15.232 1.00 0.00 H new ATOM 0 HB3 ASN A 804 6.428 5.266 -16.626 1.00 0.00 H new ATOM 0 HD21 ASN A 804 6.731 1.528 -17.516 1.00 0.00 H new ATOM 0 HD22 ASN A 804 5.797 2.363 -16.271 1.00 0.00 H new ATOM 754 N THR A 805 7.669 7.221 -14.349 1.00 0.00 N ATOM 755 CA THR A 805 7.378 8.627 -14.100 1.00 0.00 C ATOM 756 C THR A 805 8.605 9.349 -13.555 1.00 0.00 C ATOM 757 O THR A 805 9.093 10.305 -14.158 1.00 0.00 O ATOM 758 CB THR A 805 6.211 8.794 -13.107 1.00 0.00 C ATOM 759 OG1 THR A 805 6.582 8.283 -11.821 1.00 0.00 O ATOM 760 CG2 THR A 805 4.971 8.068 -13.604 1.00 0.00 C ATOM 0 H THR A 805 7.532 6.613 -13.541 1.00 0.00 H new ATOM 0 HA THR A 805 7.093 9.067 -15.056 1.00 0.00 H new ATOM 0 HB THR A 805 5.985 9.857 -13.024 1.00 0.00 H new ATOM 0 HG1 THR A 805 5.835 8.395 -11.197 1.00 0.00 H new ATOM 0 HG21 THR A 805 4.160 8.200 -12.887 1.00 0.00 H new ATOM 0 HG22 THR A 805 4.672 8.477 -14.569 1.00 0.00 H new ATOM 0 HG23 THR A 805 5.190 7.006 -13.713 1.00 0.00 H new ATOM 768 N HIS A 806 9.101 8.879 -12.412 1.00 0.00 N ATOM 769 CA HIS A 806 10.275 9.470 -11.777 1.00 0.00 C ATOM 770 C HIS A 806 10.121 10.982 -11.631 1.00 0.00 C ATOM 771 O HIS A 806 10.628 11.750 -12.449 1.00 0.00 O ATOM 772 CB HIS A 806 11.533 9.147 -12.584 1.00 0.00 C ATOM 773 CG HIS A 806 12.795 9.235 -11.785 1.00 0.00 C ATOM 774 ND1 HIS A 806 13.830 10.088 -12.105 1.00 0.00 N ATOM 775 CD2 HIS A 806 13.187 8.571 -10.671 1.00 0.00 C ATOM 776 CE1 HIS A 806 14.804 9.945 -11.223 1.00 0.00 C ATOM 777 NE2 HIS A 806 14.437 9.032 -10.344 1.00 0.00 N ATOM 0 H HIS A 806 8.705 8.087 -11.906 1.00 0.00 H new ATOM 0 HA HIS A 806 10.370 9.040 -10.780 1.00 0.00 H new ATOM 0 HB2 HIS A 806 11.443 8.142 -12.996 1.00 0.00 H new ATOM 0 HB3 HIS A 806 11.599 9.833 -13.429 1.00 0.00 H new ATOM 0 HD2 HIS A 806 12.621 7.820 -10.140 1.00 0.00 H new ATOM 0 HE1 HIS A 806 15.740 10.483 -11.222 1.00 0.00 H new ATOM 0 HE2 HIS A 806 14.994 8.719 -9.549 1.00 0.00 H new ATOM 786 N ASN A 807 9.420 11.401 -10.582 1.00 0.00 N ATOM 787 CA ASN A 807 9.199 12.819 -10.326 1.00 0.00 C ATOM 788 C ASN A 807 9.839 13.237 -9.005 1.00 0.00 C ATOM 789 O ASN A 807 9.183 13.824 -8.143 1.00 0.00 O ATOM 790 CB ASN A 807 7.700 13.129 -10.305 1.00 0.00 C ATOM 791 CG ASN A 807 6.853 11.913 -10.627 1.00 0.00 C ATOM 792 OD1 ASN A 807 6.526 11.660 -11.787 1.00 0.00 O ATOM 793 ND2 ASN A 807 6.493 11.153 -9.600 1.00 0.00 N ATOM 0 H ASN A 807 8.995 10.778 -9.895 1.00 0.00 H new ATOM 0 HA ASN A 807 9.666 13.387 -11.131 1.00 0.00 H new ATOM 0 HB2 ASN A 807 7.424 13.510 -9.322 1.00 0.00 H new ATOM 0 HB3 ASN A 807 7.485 13.919 -11.025 1.00 0.00 H new ATOM 0 HD21 ASN A 807 5.923 10.322 -9.756 1.00 0.00 H new ATOM 0 HD22 ASN A 807 6.787 11.400 -8.655 1.00 0.00 H new ATOM 800 N ASN A 808 11.126 12.922 -8.856 1.00 0.00 N ATOM 801 CA ASN A 808 11.872 13.256 -7.644 1.00 0.00 C ATOM 802 C ASN A 808 11.291 12.542 -6.426 1.00 0.00 C ATOM 803 O ASN A 808 10.173 12.028 -6.467 1.00 0.00 O ATOM 804 CB ASN A 808 11.875 14.769 -7.412 1.00 0.00 C ATOM 805 CG ASN A 808 13.277 15.332 -7.278 1.00 0.00 C ATOM 806 OD1 ASN A 808 14.257 14.688 -7.655 1.00 0.00 O ATOM 807 ND2 ASN A 808 13.380 16.540 -6.737 1.00 0.00 N ATOM 0 H ASN A 808 11.675 12.434 -9.564 1.00 0.00 H new ATOM 0 HA ASN A 808 12.899 12.918 -7.783 1.00 0.00 H new ATOM 0 HB2 ASN A 808 11.367 15.262 -8.241 1.00 0.00 H new ATOM 0 HB3 ASN A 808 11.308 14.996 -6.510 1.00 0.00 H new ATOM 0 HD21 ASN A 808 14.298 16.970 -6.620 1.00 0.00 H new ATOM 0 HD22 ASN A 808 12.542 17.038 -6.438 1.00 0.00 H new ATOM 814 N ASN A 809 12.062 12.514 -5.341 1.00 0.00 N ATOM 815 CA ASN A 809 11.634 11.866 -4.105 1.00 0.00 C ATOM 816 C ASN A 809 11.230 10.416 -4.358 1.00 0.00 C ATOM 817 O ASN A 809 10.359 9.876 -3.675 1.00 0.00 O ATOM 818 CB ASN A 809 10.466 12.631 -3.480 1.00 0.00 C ATOM 819 CG ASN A 809 10.731 14.121 -3.394 1.00 0.00 C ATOM 820 OD1 ASN A 809 10.432 14.839 -4.471 1.00 0.00 O flip ATOM 821 ND2 ASN A 809 11.201 14.621 -2.372 1.00 0.00 N flip ATOM 0 H ASN A 809 12.990 12.935 -5.294 1.00 0.00 H new ATOM 0 HA ASN A 809 12.476 11.873 -3.413 1.00 0.00 H new ATOM 0 HB2 ASN A 809 9.565 12.458 -4.069 1.00 0.00 H new ATOM 0 HB3 ASN A 809 10.273 12.241 -2.481 1.00 0.00 H new ATOM 0 HD21 ASN A 809 11.416 14.031 -1.568 1.00 0.00 H new ATOM 0 HD22 ASN A 809 11.376 15.625 -2.329 1.00 0.00 H new ATOM 828 N ILE A 810 11.871 9.792 -5.339 1.00 0.00 N ATOM 829 CA ILE A 810 11.580 8.405 -5.681 1.00 0.00 C ATOM 830 C ILE A 810 12.645 7.472 -5.112 1.00 0.00 C ATOM 831 O ILE A 810 13.842 7.708 -5.273 1.00 0.00 O ATOM 832 CB ILE A 810 11.483 8.212 -7.210 1.00 0.00 C ATOM 833 CG1 ILE A 810 10.243 8.927 -7.758 1.00 0.00 C ATOM 834 CG2 ILE A 810 11.447 6.731 -7.568 1.00 0.00 C ATOM 835 CD1 ILE A 810 8.943 8.452 -7.140 1.00 0.00 C ATOM 0 H ILE A 810 12.596 10.224 -5.912 1.00 0.00 H new ATOM 0 HA ILE A 810 10.615 8.157 -5.239 1.00 0.00 H new ATOM 0 HB ILE A 810 12.370 8.650 -7.668 1.00 0.00 H new ATOM 0 HG12 ILE A 810 10.347 9.998 -7.586 1.00 0.00 H new ATOM 0 HG13 ILE A 810 10.197 8.780 -8.837 1.00 0.00 H new ATOM 0 HG21 ILE A 810 11.379 6.620 -8.650 1.00 0.00 H new ATOM 0 HG22 ILE A 810 12.356 6.248 -7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 810 10.580 6.264 -7.100 1.00 0.00 H new ATOM 0 HD11 ILE A 810 8.110 9.003 -7.577 1.00 0.00 H new ATOM 0 HD12 ILE A 810 8.816 7.387 -7.334 1.00 0.00 H new ATOM 0 HD13 ILE A 810 8.967 8.624 -6.064 1.00 0.00 H new ATOM 847 N SER A 811 12.199 6.415 -4.441 1.00 0.00 N ATOM 848 CA SER A 811 13.108 5.447 -3.840 1.00 0.00 C ATOM 849 C SER A 811 12.659 4.017 -4.137 1.00 0.00 C ATOM 850 O SER A 811 11.466 3.752 -4.276 1.00 0.00 O ATOM 851 CB SER A 811 13.185 5.667 -2.329 1.00 0.00 C ATOM 852 OG SER A 811 14.460 6.152 -1.947 1.00 0.00 O ATOM 0 H SER A 811 11.210 6.207 -4.300 1.00 0.00 H new ATOM 0 HA SER A 811 14.097 5.593 -4.275 1.00 0.00 H new ATOM 0 HB2 SER A 811 12.416 6.376 -2.022 1.00 0.00 H new ATOM 0 HB3 SER A 811 12.979 4.730 -1.811 1.00 0.00 H new ATOM 0 HG SER A 811 14.482 6.286 -0.976 1.00 0.00 H new ATOM 858 N PRO A 812 13.613 3.073 -4.236 1.00 0.00 N ATOM 859 CA PRO A 812 13.302 1.667 -4.515 1.00 0.00 C ATOM 860 C PRO A 812 12.618 0.981 -3.338 1.00 0.00 C ATOM 861 O PRO A 812 13.138 0.976 -2.222 1.00 0.00 O ATOM 862 CB PRO A 812 14.675 1.042 -4.774 1.00 0.00 C ATOM 863 CG PRO A 812 15.629 1.904 -4.024 1.00 0.00 C ATOM 864 CD PRO A 812 15.065 3.297 -4.083 1.00 0.00 C ATOM 0 HA PRO A 812 12.608 1.562 -5.349 1.00 0.00 H new ATOM 0 HB2 PRO A 812 14.713 0.011 -4.423 1.00 0.00 H new ATOM 0 HB3 PRO A 812 14.908 1.026 -5.839 1.00 0.00 H new ATOM 0 HG2 PRO A 812 15.730 1.568 -2.992 1.00 0.00 H new ATOM 0 HG3 PRO A 812 16.623 1.866 -4.471 1.00 0.00 H new ATOM 0 HD2 PRO A 812 15.291 3.861 -3.178 1.00 0.00 H new ATOM 0 HD3 PRO A 812 15.475 3.861 -4.921 1.00 0.00 H new ATOM 872 N ILE A 813 11.447 0.407 -3.595 1.00 0.00 N ATOM 873 CA ILE A 813 10.690 -0.281 -2.557 1.00 0.00 C ATOM 874 C ILE A 813 10.611 -1.779 -2.832 1.00 0.00 C ATOM 875 O ILE A 813 10.486 -2.203 -3.981 1.00 0.00 O ATOM 876 CB ILE A 813 9.259 0.281 -2.437 1.00 0.00 C ATOM 877 CG1 ILE A 813 9.270 1.810 -2.554 1.00 0.00 C ATOM 878 CG2 ILE A 813 8.624 -0.156 -1.124 1.00 0.00 C ATOM 879 CD1 ILE A 813 10.053 2.504 -1.458 1.00 0.00 C ATOM 0 H ILE A 813 11.002 0.405 -4.513 1.00 0.00 H new ATOM 0 HA ILE A 813 11.220 -0.113 -1.619 1.00 0.00 H new ATOM 0 HB ILE A 813 8.660 -0.118 -3.256 1.00 0.00 H new ATOM 0 HG12 ILE A 813 9.692 2.088 -3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 813 8.242 2.173 -2.539 1.00 0.00 H new ATOM 0 HG21 ILE A 813 7.614 0.249 -1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 813 8.581 -1.244 -1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 813 9.221 0.214 -0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 813 10.014 3.583 -1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 813 9.619 2.258 -0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 813 11.091 2.171 -1.486 1.00 0.00 H new ATOM 891 N THR A 814 10.683 -2.574 -1.770 1.00 0.00 N ATOM 892 CA THR A 814 10.617 -4.026 -1.892 1.00 0.00 C ATOM 893 C THR A 814 9.619 -4.612 -0.901 1.00 0.00 C ATOM 894 O THR A 814 9.777 -5.743 -0.439 1.00 0.00 O ATOM 895 CB THR A 814 11.995 -4.674 -1.660 1.00 0.00 C ATOM 896 OG1 THR A 814 12.779 -3.860 -0.780 1.00 0.00 O ATOM 897 CG2 THR A 814 12.734 -4.859 -2.977 1.00 0.00 C ATOM 0 H THR A 814 10.787 -2.237 -0.813 1.00 0.00 H new ATOM 0 HA THR A 814 10.290 -4.245 -2.908 1.00 0.00 H new ATOM 0 HB THR A 814 11.839 -5.653 -1.207 1.00 0.00 H new ATOM 0 HG1 THR A 814 13.653 -4.280 -0.637 1.00 0.00 H new ATOM 0 HG21 THR A 814 13.704 -5.318 -2.788 1.00 0.00 H new ATOM 0 HG22 THR A 814 12.150 -5.503 -3.635 1.00 0.00 H new ATOM 0 HG23 THR A 814 12.878 -3.889 -3.453 1.00 0.00 H new ATOM 905 N LYS A 815 8.592 -3.834 -0.574 1.00 0.00 N ATOM 906 CA LYS A 815 7.567 -4.274 0.366 1.00 0.00 C ATOM 907 C LYS A 815 6.227 -3.605 0.067 1.00 0.00 C ATOM 908 O LYS A 815 6.129 -2.378 0.034 1.00 0.00 O ATOM 909 CB LYS A 815 7.996 -3.961 1.801 1.00 0.00 C ATOM 910 CG LYS A 815 7.721 -5.091 2.779 1.00 0.00 C ATOM 911 CD LYS A 815 6.847 -4.626 3.933 1.00 0.00 C ATOM 912 CE LYS A 815 7.470 -4.968 5.277 1.00 0.00 C ATOM 913 NZ LYS A 815 8.024 -3.764 5.955 1.00 0.00 N ATOM 0 H LYS A 815 8.447 -2.895 -0.946 1.00 0.00 H new ATOM 0 HA LYS A 815 7.446 -5.352 0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 815 9.062 -3.734 1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 815 7.476 -3.065 2.139 1.00 0.00 H new ATOM 0 HG2 LYS A 815 7.231 -5.914 2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 815 8.664 -5.476 3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 815 6.695 -3.549 3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 815 5.864 -5.092 3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 815 6.720 -5.432 5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 815 8.264 -5.701 5.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 815 8.439 -4.040 6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 815 8.758 -3.335 5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 815 7.262 -3.075 6.116 1.00 0.00 H new ATOM 927 N ILE A 816 5.198 -4.422 -0.147 1.00 0.00 N ATOM 928 CA ILE A 816 3.862 -3.913 -0.440 1.00 0.00 C ATOM 929 C ILE A 816 2.801 -4.691 0.333 1.00 0.00 C ATOM 930 O ILE A 816 2.974 -5.876 0.618 1.00 0.00 O ATOM 931 CB ILE A 816 3.544 -3.996 -1.947 1.00 0.00 C ATOM 932 CG1 ILE A 816 3.742 -5.425 -2.456 1.00 0.00 C ATOM 933 CG2 ILE A 816 4.415 -3.024 -2.728 1.00 0.00 C ATOM 934 CD1 ILE A 816 2.862 -5.775 -3.636 1.00 0.00 C ATOM 0 H ILE A 816 5.265 -5.440 -0.123 1.00 0.00 H new ATOM 0 HA ILE A 816 3.846 -2.868 -0.131 1.00 0.00 H new ATOM 0 HB ILE A 816 2.501 -3.719 -2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 816 4.786 -5.559 -2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 816 3.540 -6.123 -1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 816 4.178 -3.095 -3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 816 4.227 -2.008 -2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 816 5.465 -3.271 -2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 816 3.057 -6.803 -3.943 1.00 0.00 H new ATOM 0 HD12 ILE A 816 1.815 -5.673 -3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 816 3.080 -5.101 -4.465 1.00 0.00 H new ATOM 946 N LYS A 817 1.702 -4.020 0.671 1.00 0.00 N ATOM 947 CA LYS A 817 0.618 -4.658 1.411 1.00 0.00 C ATOM 948 C LYS A 817 -0.637 -4.778 0.552 1.00 0.00 C ATOM 949 O LYS A 817 -1.036 -3.824 -0.117 1.00 0.00 O ATOM 950 CB LYS A 817 0.305 -3.873 2.686 1.00 0.00 C ATOM 951 CG LYS A 817 1.359 -4.032 3.770 1.00 0.00 C ATOM 952 CD LYS A 817 0.950 -3.327 5.053 1.00 0.00 C ATOM 953 CE LYS A 817 2.101 -3.262 6.045 1.00 0.00 C ATOM 954 NZ LYS A 817 2.194 -1.928 6.702 1.00 0.00 N ATOM 0 H LYS A 817 1.540 -3.039 0.445 1.00 0.00 H new ATOM 0 HA LYS A 817 0.945 -5.661 1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 817 0.207 -2.816 2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 817 -0.659 -4.199 3.077 1.00 0.00 H new ATOM 0 HG2 LYS A 817 1.519 -5.091 3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 817 2.308 -3.628 3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 817 0.610 -2.317 4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 817 0.108 -3.851 5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 817 1.969 -4.032 6.805 1.00 0.00 H new ATOM 0 HE3 LYS A 817 3.037 -3.479 5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 817 3.105 -1.847 7.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 817 2.124 -1.181 5.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 817 1.418 -1.823 7.387 1.00 0.00 H new ATOM 968 N TYR A 818 -1.255 -5.955 0.577 1.00 0.00 N ATOM 969 CA TYR A 818 -2.464 -6.202 -0.202 1.00 0.00 C ATOM 970 C TYR A 818 -3.682 -6.335 0.708 1.00 0.00 C ATOM 971 O TYR A 818 -3.574 -6.794 1.844 1.00 0.00 O ATOM 972 CB TYR A 818 -2.303 -7.469 -1.046 1.00 0.00 C ATOM 973 CG TYR A 818 -2.158 -8.735 -0.231 1.00 0.00 C ATOM 974 CD1 TYR A 818 -0.948 -9.065 0.366 1.00 0.00 C ATOM 975 CD2 TYR A 818 -3.231 -9.600 -0.057 1.00 0.00 C ATOM 976 CE1 TYR A 818 -0.811 -10.222 1.113 1.00 0.00 C ATOM 977 CE2 TYR A 818 -3.103 -10.757 0.687 1.00 0.00 C ATOM 978 CZ TYR A 818 -1.892 -11.063 1.270 1.00 0.00 C ATOM 979 OH TYR A 818 -1.760 -12.214 2.012 1.00 0.00 O ATOM 0 H TYR A 818 -0.939 -6.753 1.128 1.00 0.00 H new ATOM 0 HA TYR A 818 -2.619 -5.350 -0.864 1.00 0.00 H new ATOM 0 HB2 TYR A 818 -3.167 -7.568 -1.703 1.00 0.00 H new ATOM 0 HB3 TYR A 818 -1.428 -7.358 -1.686 1.00 0.00 H new ATOM 0 HD1 TYR A 818 -0.100 -8.408 0.245 1.00 0.00 H new ATOM 0 HD2 TYR A 818 -4.182 -9.364 -0.511 1.00 0.00 H new ATOM 0 HE1 TYR A 818 0.137 -10.465 1.570 1.00 0.00 H new ATOM 0 HE2 TYR A 818 -3.948 -11.418 0.811 1.00 0.00 H new ATOM 0 HH TYR A 818 -2.614 -12.694 2.026 1.00 0.00 H new ATOM 989 N GLN A 819 -4.841 -5.932 0.198 1.00 0.00 N ATOM 990 CA GLN A 819 -6.079 -6.008 0.964 1.00 0.00 C ATOM 991 C GLN A 819 -6.609 -7.438 0.998 1.00 0.00 C ATOM 992 O GLN A 819 -6.629 -8.127 -0.022 1.00 0.00 O ATOM 993 CB GLN A 819 -7.133 -5.075 0.366 1.00 0.00 C ATOM 994 CG GLN A 819 -8.346 -4.875 1.261 1.00 0.00 C ATOM 995 CD GLN A 819 -9.253 -3.762 0.773 1.00 0.00 C ATOM 996 OE1 GLN A 819 -9.025 -2.587 1.063 1.00 0.00 O ATOM 997 NE2 GLN A 819 -10.289 -4.128 0.028 1.00 0.00 N ATOM 0 H GLN A 819 -4.949 -5.550 -0.742 1.00 0.00 H new ATOM 0 HA GLN A 819 -5.865 -5.694 1.985 1.00 0.00 H new ATOM 0 HB2 GLN A 819 -6.676 -4.106 0.165 1.00 0.00 H new ATOM 0 HB3 GLN A 819 -7.461 -5.478 -0.592 1.00 0.00 H new ATOM 0 HG2 GLN A 819 -8.913 -5.805 1.312 1.00 0.00 H new ATOM 0 HG3 GLN A 819 -8.012 -4.649 2.274 1.00 0.00 H new ATOM 0 HE21 GLN A 819 -10.439 -5.114 -0.188 1.00 0.00 H new ATOM 0 HE22 GLN A 819 -10.935 -3.424 -0.329 1.00 0.00 H new ATOM 1006 N ASP A 820 -7.036 -7.880 2.177 1.00 0.00 N ATOM 1007 CA ASP A 820 -7.564 -9.228 2.342 1.00 0.00 C ATOM 1008 C ASP A 820 -9.082 -9.207 2.498 1.00 0.00 C ATOM 1009 O ASP A 820 -9.732 -8.204 2.205 1.00 0.00 O ATOM 1010 CB ASP A 820 -6.920 -9.907 3.554 1.00 0.00 C ATOM 1011 CG ASP A 820 -7.417 -9.338 4.869 1.00 0.00 C ATOM 1012 OD1 ASP A 820 -7.606 -8.106 4.951 1.00 0.00 O ATOM 1013 OD2 ASP A 820 -7.616 -10.126 5.818 1.00 0.00 O ATOM 0 H ASP A 820 -7.026 -7.323 3.032 1.00 0.00 H new ATOM 0 HA ASP A 820 -7.321 -9.797 1.445 1.00 0.00 H new ATOM 0 HB2 ASP A 820 -7.130 -10.976 3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 820 -5.837 -9.793 3.498 1.00 0.00 H new ATOM 1018 N GLU A 821 -9.639 -10.324 2.956 1.00 0.00 N ATOM 1019 CA GLU A 821 -11.081 -10.440 3.148 1.00 0.00 C ATOM 1020 C GLU A 821 -11.554 -9.567 4.308 1.00 0.00 C ATOM 1021 O GLU A 821 -12.740 -9.257 4.419 1.00 0.00 O ATOM 1022 CB GLU A 821 -11.464 -11.899 3.404 1.00 0.00 C ATOM 1023 CG GLU A 821 -10.816 -12.877 2.438 1.00 0.00 C ATOM 1024 CD GLU A 821 -10.120 -14.024 3.146 1.00 0.00 C ATOM 1025 OE1 GLU A 821 -10.487 -14.318 4.303 1.00 0.00 O ATOM 1026 OE2 GLU A 821 -9.208 -14.628 2.544 1.00 0.00 O ATOM 0 H GLU A 821 -9.113 -11.163 3.201 1.00 0.00 H new ATOM 0 HA GLU A 821 -11.571 -10.094 2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -11.182 -12.167 4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -12.547 -11.999 3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -11.577 -13.277 1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -10.093 -12.345 1.819 1.00 0.00 H new ATOM 1033 N ASP A 822 -10.619 -9.176 5.169 1.00 0.00 N ATOM 1034 CA ASP A 822 -10.942 -8.340 6.320 1.00 0.00 C ATOM 1035 C ASP A 822 -10.951 -6.863 5.936 1.00 0.00 C ATOM 1036 O ASP A 822 -11.353 -6.009 6.726 1.00 0.00 O ATOM 1037 CB ASP A 822 -9.936 -8.577 7.449 1.00 0.00 C ATOM 1038 CG ASP A 822 -10.612 -8.887 8.769 1.00 0.00 C ATOM 1039 OD1 ASP A 822 -11.053 -7.937 9.449 1.00 0.00 O ATOM 1040 OD2 ASP A 822 -10.700 -10.082 9.125 1.00 0.00 O ATOM 0 H ASP A 822 -9.633 -9.424 5.091 1.00 0.00 H new ATOM 0 HA ASP A 822 -11.939 -8.614 6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 822 -9.278 -9.403 7.178 1.00 0.00 H new ATOM 0 HB3 ASP A 822 -9.308 -7.693 7.564 1.00 0.00 H new ATOM 1045 N GLY A 823 -10.505 -6.572 4.718 1.00 0.00 N ATOM 1046 CA GLY A 823 -10.471 -5.199 4.250 1.00 0.00 C ATOM 1047 C GLY A 823 -9.222 -4.463 4.699 1.00 0.00 C ATOM 1048 O GLY A 823 -9.074 -3.267 4.445 1.00 0.00 O ATOM 0 H GLY A 823 -10.167 -7.262 4.047 1.00 0.00 H new ATOM 0 HA2 GLY A 823 -10.524 -5.188 3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 823 -11.351 -4.671 4.617 1.00 0.00 H new ATOM 1052 N ASP A 824 -8.324 -5.179 5.368 1.00 0.00 N ATOM 1053 CA ASP A 824 -7.082 -4.588 5.853 1.00 0.00 C ATOM 1054 C ASP A 824 -5.916 -4.946 4.936 1.00 0.00 C ATOM 1055 O ASP A 824 -5.993 -5.902 4.165 1.00 0.00 O ATOM 1056 CB ASP A 824 -6.788 -5.060 7.278 1.00 0.00 C ATOM 1057 CG ASP A 824 -6.521 -3.908 8.226 1.00 0.00 C ATOM 1058 OD1 ASP A 824 -7.473 -3.155 8.527 1.00 0.00 O ATOM 1059 OD2 ASP A 824 -5.363 -3.756 8.666 1.00 0.00 O ATOM 0 H ASP A 824 -8.433 -6.169 5.587 1.00 0.00 H new ATOM 0 HA ASP A 824 -7.202 -3.505 5.855 1.00 0.00 H new ATOM 0 HB2 ASP A 824 -7.633 -5.642 7.647 1.00 0.00 H new ATOM 0 HB3 ASP A 824 -5.924 -5.725 7.266 1.00 0.00 H new ATOM 1064 N PHE A 825 -4.838 -4.174 5.028 1.00 0.00 N ATOM 1065 CA PHE A 825 -3.657 -4.412 4.209 1.00 0.00 C ATOM 1066 C PHE A 825 -2.645 -5.280 4.953 1.00 0.00 C ATOM 1067 O PHE A 825 -2.000 -4.826 5.899 1.00 0.00 O ATOM 1068 CB PHE A 825 -3.012 -3.082 3.808 1.00 0.00 C ATOM 1069 CG PHE A 825 -3.948 -2.155 3.086 1.00 0.00 C ATOM 1070 CD1 PHE A 825 -4.353 -2.427 1.789 1.00 0.00 C ATOM 1071 CD2 PHE A 825 -4.425 -1.012 3.706 1.00 0.00 C ATOM 1072 CE1 PHE A 825 -5.215 -1.575 1.124 1.00 0.00 C ATOM 1073 CE2 PHE A 825 -5.286 -0.156 3.047 1.00 0.00 C ATOM 1074 CZ PHE A 825 -5.682 -0.438 1.755 1.00 0.00 C ATOM 0 H PHE A 825 -4.759 -3.379 5.662 1.00 0.00 H new ATOM 0 HA PHE A 825 -3.969 -4.941 3.309 1.00 0.00 H new ATOM 0 HB2 PHE A 825 -2.639 -2.584 4.703 1.00 0.00 H new ATOM 0 HB3 PHE A 825 -2.150 -3.283 3.172 1.00 0.00 H new ATOM 0 HD1 PHE A 825 -3.991 -3.315 1.292 1.00 0.00 H new ATOM 0 HD2 PHE A 825 -4.120 -0.787 4.717 1.00 0.00 H new ATOM 0 HE1 PHE A 825 -5.523 -1.798 0.113 1.00 0.00 H new ATOM 0 HE2 PHE A 825 -5.649 0.733 3.542 1.00 0.00 H new ATOM 0 HZ PHE A 825 -6.356 0.229 1.238 1.00 0.00 H new ATOM 1084 N VAL A 826 -2.516 -6.530 4.519 1.00 0.00 N ATOM 1085 CA VAL A 826 -1.585 -7.465 5.141 1.00 0.00 C ATOM 1086 C VAL A 826 -0.224 -7.423 4.457 1.00 0.00 C ATOM 1087 O VAL A 826 -0.114 -7.031 3.296 1.00 0.00 O ATOM 1088 CB VAL A 826 -2.119 -8.911 5.099 1.00 0.00 C ATOM 1089 CG1 VAL A 826 -2.968 -9.206 6.324 1.00 0.00 C ATOM 1090 CG2 VAL A 826 -2.911 -9.157 3.825 1.00 0.00 C ATOM 0 H VAL A 826 -3.045 -6.919 3.738 1.00 0.00 H new ATOM 0 HA VAL A 826 -1.480 -7.155 6.181 1.00 0.00 H new ATOM 0 HB VAL A 826 -1.265 -9.588 5.104 1.00 0.00 H new ATOM 0 HG11 VAL A 826 -3.335 -10.231 6.274 1.00 0.00 H new ATOM 0 HG12 VAL A 826 -2.365 -9.079 7.223 1.00 0.00 H new ATOM 0 HG13 VAL A 826 -3.814 -8.519 6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 826 -3.278 -10.183 3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 826 -3.756 -8.469 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 826 -2.268 -8.995 2.960 1.00 0.00 H new ATOM 1100 N VAL A 827 0.810 -7.831 5.186 1.00 0.00 N ATOM 1101 CA VAL A 827 2.166 -7.840 4.651 1.00 0.00 C ATOM 1102 C VAL A 827 2.341 -8.948 3.618 1.00 0.00 C ATOM 1103 O VAL A 827 1.706 -9.998 3.707 1.00 0.00 O ATOM 1104 CB VAL A 827 3.212 -8.026 5.768 1.00 0.00 C ATOM 1105 CG1 VAL A 827 4.587 -7.580 5.292 1.00 0.00 C ATOM 1106 CG2 VAL A 827 2.801 -7.264 7.019 1.00 0.00 C ATOM 0 H VAL A 827 0.734 -8.160 6.149 1.00 0.00 H new ATOM 0 HA VAL A 827 2.323 -6.872 4.175 1.00 0.00 H new ATOM 0 HB VAL A 827 3.264 -9.086 6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 827 5.312 -7.719 6.094 1.00 0.00 H new ATOM 0 HG12 VAL A 827 4.883 -8.175 4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 827 4.552 -6.527 5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 827 3.552 -7.408 7.796 1.00 0.00 H new ATOM 0 HG22 VAL A 827 2.717 -6.202 6.787 1.00 0.00 H new ATOM 0 HG23 VAL A 827 1.839 -7.635 7.371 1.00 0.00 H new ATOM 1116 N LEU A 828 3.208 -8.706 2.639 1.00 0.00 N ATOM 1117 CA LEU A 828 3.469 -9.683 1.589 1.00 0.00 C ATOM 1118 C LEU A 828 4.947 -9.690 1.211 1.00 0.00 C ATOM 1119 O LEU A 828 5.396 -8.874 0.405 1.00 0.00 O ATOM 1120 CB LEU A 828 2.613 -9.380 0.354 1.00 0.00 C ATOM 1121 CG LEU A 828 2.880 -10.272 -0.859 1.00 0.00 C ATOM 1122 CD1 LEU A 828 1.684 -11.172 -1.134 1.00 0.00 C ATOM 1123 CD2 LEU A 828 3.203 -9.425 -2.080 1.00 0.00 C ATOM 0 H LEU A 828 3.741 -7.841 2.552 1.00 0.00 H new ATOM 0 HA LEU A 828 3.205 -10.670 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 828 1.562 -9.473 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 828 2.776 -8.342 0.064 1.00 0.00 H new ATOM 0 HG LEU A 828 3.741 -10.904 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 828 1.892 -11.799 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 828 1.496 -11.803 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 828 0.805 -10.559 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 828 3.390 -10.075 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 828 2.361 -8.769 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 828 4.089 -8.823 -1.881 1.00 0.00 H new ATOM 1135 N GLY A 829 5.699 -10.616 1.800 1.00 0.00 N ATOM 1136 CA GLY A 829 7.118 -10.712 1.513 1.00 0.00 C ATOM 1137 C GLY A 829 7.585 -12.147 1.360 1.00 0.00 C ATOM 1138 O GLY A 829 8.736 -12.466 1.654 1.00 0.00 O ATOM 0 H GLY A 829 5.350 -11.301 2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 829 7.338 -10.162 0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 829 7.681 -10.234 2.315 1.00 0.00 H new ATOM 1142 N SER A 830 6.688 -13.011 0.896 1.00 0.00 N ATOM 1143 CA SER A 830 7.011 -14.419 0.701 1.00 0.00 C ATOM 1144 C SER A 830 6.288 -14.980 -0.519 1.00 0.00 C ATOM 1145 O SER A 830 5.247 -14.464 -0.926 1.00 0.00 O ATOM 1146 CB SER A 830 6.637 -15.226 1.946 1.00 0.00 C ATOM 1147 OG SER A 830 6.302 -14.372 3.026 1.00 0.00 O ATOM 0 H SER A 830 5.731 -12.760 0.648 1.00 0.00 H new ATOM 0 HA SER A 830 8.085 -14.500 0.533 1.00 0.00 H new ATOM 0 HB2 SER A 830 5.794 -15.879 1.720 1.00 0.00 H new ATOM 0 HB3 SER A 830 7.471 -15.868 2.231 1.00 0.00 H new ATOM 0 HG SER A 830 5.330 -14.364 3.147 1.00 0.00 H new ATOM 1153 N ASP A 831 6.846 -16.040 -1.096 1.00 0.00 N ATOM 1154 CA ASP A 831 6.254 -16.674 -2.269 1.00 0.00 C ATOM 1155 C ASP A 831 4.891 -17.269 -1.936 1.00 0.00 C ATOM 1156 O ASP A 831 3.978 -17.253 -2.761 1.00 0.00 O ATOM 1157 CB ASP A 831 7.182 -17.765 -2.806 1.00 0.00 C ATOM 1158 CG ASP A 831 7.019 -17.982 -4.298 1.00 0.00 C ATOM 1159 OD1 ASP A 831 7.167 -17.003 -5.059 1.00 0.00 O ATOM 1160 OD2 ASP A 831 6.745 -19.130 -4.705 1.00 0.00 O ATOM 0 H ASP A 831 7.708 -16.478 -0.770 1.00 0.00 H new ATOM 0 HA ASP A 831 6.119 -15.911 -3.035 1.00 0.00 H new ATOM 0 HB2 ASP A 831 8.216 -17.496 -2.592 1.00 0.00 H new ATOM 0 HB3 ASP A 831 6.981 -18.699 -2.282 1.00 0.00 H new ATOM 1165 N GLU A 832 4.760 -17.794 -0.721 1.00 0.00 N ATOM 1166 CA GLU A 832 3.506 -18.393 -0.279 1.00 0.00 C ATOM 1167 C GLU A 832 2.421 -17.334 -0.128 1.00 0.00 C ATOM 1168 O GLU A 832 1.263 -17.570 -0.473 1.00 0.00 O ATOM 1169 CB GLU A 832 3.705 -19.128 1.048 1.00 0.00 C ATOM 1170 CG GLU A 832 2.853 -20.379 1.184 1.00 0.00 C ATOM 1171 CD GLU A 832 1.515 -20.105 1.843 1.00 0.00 C ATOM 1172 OE1 GLU A 832 1.480 -19.315 2.810 1.00 0.00 O ATOM 1173 OE2 GLU A 832 0.503 -20.682 1.393 1.00 0.00 O ATOM 0 H GLU A 832 5.506 -17.816 -0.026 1.00 0.00 H new ATOM 0 HA GLU A 832 3.188 -19.108 -1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 832 4.755 -19.401 1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 832 3.472 -18.449 1.868 1.00 0.00 H new ATOM 0 HG2 GLU A 832 2.686 -20.809 0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 832 3.396 -21.122 1.768 1.00 0.00 H new ATOM 1180 N ASP A 833 2.802 -16.166 0.384 1.00 0.00 N ATOM 1181 CA ASP A 833 1.858 -15.070 0.575 1.00 0.00 C ATOM 1182 C ASP A 833 1.145 -14.741 -0.731 1.00 0.00 C ATOM 1183 O ASP A 833 -0.060 -14.487 -0.746 1.00 0.00 O ATOM 1184 CB ASP A 833 2.579 -13.830 1.104 1.00 0.00 C ATOM 1185 CG ASP A 833 2.603 -13.775 2.619 1.00 0.00 C ATOM 1186 OD1 ASP A 833 3.433 -14.483 3.225 1.00 0.00 O ATOM 1187 OD2 ASP A 833 1.791 -13.024 3.198 1.00 0.00 O ATOM 0 H ASP A 833 3.757 -15.955 0.674 1.00 0.00 H new ATOM 0 HA ASP A 833 1.115 -15.385 1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 833 3.602 -13.820 0.727 1.00 0.00 H new ATOM 0 HB3 ASP A 833 2.088 -12.936 0.719 1.00 0.00 H new ATOM 1192 N TRP A 834 1.895 -14.757 -1.828 1.00 0.00 N ATOM 1193 CA TRP A 834 1.333 -14.470 -3.141 1.00 0.00 C ATOM 1194 C TRP A 834 0.400 -15.595 -3.577 1.00 0.00 C ATOM 1195 O TRP A 834 -0.632 -15.353 -4.203 1.00 0.00 O ATOM 1196 CB TRP A 834 2.452 -14.283 -4.171 1.00 0.00 C ATOM 1197 CG TRP A 834 1.961 -14.214 -5.587 1.00 0.00 C ATOM 1198 CD1 TRP A 834 2.365 -14.995 -6.632 1.00 0.00 C ATOM 1199 CD2 TRP A 834 0.975 -13.317 -6.114 1.00 0.00 C ATOM 1200 NE1 TRP A 834 1.692 -14.638 -7.774 1.00 0.00 N ATOM 1201 CE2 TRP A 834 0.833 -13.612 -7.483 1.00 0.00 C ATOM 1202 CE3 TRP A 834 0.198 -12.294 -5.561 1.00 0.00 C ATOM 1203 CZ2 TRP A 834 -0.053 -12.920 -8.306 1.00 0.00 C ATOM 1204 CZ3 TRP A 834 -0.681 -11.608 -6.378 1.00 0.00 C ATOM 1205 CH2 TRP A 834 -0.800 -11.924 -7.738 1.00 0.00 C ATOM 0 H TRP A 834 2.893 -14.966 -1.833 1.00 0.00 H new ATOM 0 HA TRP A 834 0.759 -13.545 -3.076 1.00 0.00 H new ATOM 0 HB2 TRP A 834 2.998 -13.368 -3.940 1.00 0.00 H new ATOM 0 HB3 TRP A 834 3.159 -15.108 -4.080 1.00 0.00 H new ATOM 0 HD1 TRP A 834 3.105 -15.779 -6.569 1.00 0.00 H new ATOM 0 HE1 TRP A 834 1.812 -15.068 -8.691 1.00 0.00 H new ATOM 0 HE3 TRP A 834 0.283 -12.044 -4.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 834 -0.147 -13.161 -9.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 834 -1.286 -10.816 -5.962 1.00 0.00 H new ATOM 0 HH2 TRP A 834 -1.496 -11.370 -8.351 1.00 0.00 H new ATOM 1216 N ASN A 835 0.771 -16.826 -3.233 1.00 0.00 N ATOM 1217 CA ASN A 835 -0.032 -17.991 -3.580 1.00 0.00 C ATOM 1218 C ASN A 835 -1.414 -17.902 -2.943 1.00 0.00 C ATOM 1219 O ASN A 835 -2.426 -18.189 -3.586 1.00 0.00 O ATOM 1220 CB ASN A 835 0.671 -19.273 -3.128 1.00 0.00 C ATOM 1221 CG ASN A 835 -0.186 -20.507 -3.333 1.00 0.00 C ATOM 1222 OD1 ASN A 835 -0.601 -20.809 -4.452 1.00 0.00 O ATOM 1223 ND2 ASN A 835 -0.456 -21.226 -2.250 1.00 0.00 N ATOM 0 H ASN A 835 1.623 -17.040 -2.714 1.00 0.00 H new ATOM 0 HA ASN A 835 -0.150 -18.014 -4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 835 1.604 -19.386 -3.680 1.00 0.00 H new ATOM 0 HB3 ASN A 835 0.933 -19.188 -2.073 1.00 0.00 H new ATOM 0 HD21 ASN A 835 -1.029 -22.067 -2.326 1.00 0.00 H new ATOM 0 HD22 ASN A 835 -0.091 -20.938 -1.342 1.00 0.00 H new ATOM 1230 N VAL A 836 -1.450 -17.496 -1.678 1.00 0.00 N ATOM 1231 CA VAL A 836 -2.708 -17.361 -0.954 1.00 0.00 C ATOM 1232 C VAL A 836 -3.513 -16.181 -1.485 1.00 0.00 C ATOM 1233 O VAL A 836 -4.742 -16.171 -1.408 1.00 0.00 O ATOM 1234 CB VAL A 836 -2.472 -17.175 0.558 1.00 0.00 C ATOM 1235 CG1 VAL A 836 -3.765 -17.392 1.331 1.00 0.00 C ATOM 1236 CG2 VAL A 836 -1.384 -18.117 1.050 1.00 0.00 C ATOM 0 H VAL A 836 -0.622 -17.255 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 836 -3.268 -18.283 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 836 -2.139 -16.152 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 836 -3.579 -17.257 2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 836 -4.513 -16.672 0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 836 -4.131 -18.403 1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 836 -1.232 -17.971 2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 836 -1.684 -19.148 0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 836 -0.455 -17.908 0.520 1.00 0.00 H new ATOM 1246 N ALA A 837 -2.811 -15.192 -2.032 1.00 0.00 N ATOM 1247 CA ALA A 837 -3.459 -14.009 -2.585 1.00 0.00 C ATOM 1248 C ALA A 837 -4.342 -14.382 -3.770 1.00 0.00 C ATOM 1249 O ALA A 837 -5.479 -13.922 -3.882 1.00 0.00 O ATOM 1250 CB ALA A 837 -2.419 -12.980 -3.000 1.00 0.00 C ATOM 0 H ALA A 837 -1.794 -15.188 -2.104 1.00 0.00 H new ATOM 0 HA ALA A 837 -4.091 -13.572 -1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -2.919 -12.103 -3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -1.829 -12.688 -2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -1.762 -13.411 -3.756 1.00 0.00 H new ATOM 1256 N LYS A 838 -3.811 -15.224 -4.652 1.00 0.00 N ATOM 1257 CA LYS A 838 -4.551 -15.666 -5.826 1.00 0.00 C ATOM 1258 C LYS A 838 -5.769 -16.481 -5.411 1.00 0.00 C ATOM 1259 O LYS A 838 -6.860 -16.311 -5.955 1.00 0.00 O ATOM 1260 CB LYS A 838 -3.653 -16.498 -6.743 1.00 0.00 C ATOM 1261 CG LYS A 838 -2.589 -15.682 -7.457 1.00 0.00 C ATOM 1262 CD LYS A 838 -1.936 -16.475 -8.578 1.00 0.00 C ATOM 1263 CE LYS A 838 -0.941 -17.490 -8.040 1.00 0.00 C ATOM 1264 NZ LYS A 838 0.304 -17.532 -8.853 1.00 0.00 N ATOM 0 H LYS A 838 -2.871 -15.613 -4.575 1.00 0.00 H new ATOM 0 HA LYS A 838 -4.887 -14.784 -6.371 1.00 0.00 H new ATOM 0 HB2 LYS A 838 -3.168 -17.276 -6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 838 -4.273 -17.001 -7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 838 -3.037 -14.776 -7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 838 -1.829 -15.368 -6.742 1.00 0.00 H new ATOM 0 HD2 LYS A 838 -2.704 -16.989 -9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 838 -1.428 -15.792 -9.259 1.00 0.00 H new ATOM 0 HE2 LYS A 838 -0.692 -17.243 -7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 838 -1.401 -18.478 -8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 838 0.755 -18.464 -8.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 838 0.071 -17.369 -9.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 838 0.958 -16.793 -8.525 1.00 0.00 H new ATOM 1278 N GLU A 839 -5.574 -17.364 -4.435 1.00 0.00 N ATOM 1279 CA GLU A 839 -6.656 -18.204 -3.936 1.00 0.00 C ATOM 1280 C GLU A 839 -7.726 -17.353 -3.261 1.00 0.00 C ATOM 1281 O GLU A 839 -8.870 -17.781 -3.111 1.00 0.00 O ATOM 1282 CB GLU A 839 -6.114 -19.243 -2.953 1.00 0.00 C ATOM 1283 CG GLU A 839 -4.988 -20.089 -3.524 1.00 0.00 C ATOM 1284 CD GLU A 839 -5.385 -21.541 -3.706 1.00 0.00 C ATOM 1285 OE1 GLU A 839 -6.388 -21.799 -4.405 1.00 0.00 O ATOM 1286 OE2 GLU A 839 -4.691 -22.419 -3.151 1.00 0.00 O ATOM 0 H GLU A 839 -4.676 -17.515 -3.975 1.00 0.00 H new ATOM 0 HA GLU A 839 -7.106 -18.723 -4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 839 -5.757 -18.733 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 839 -6.928 -19.898 -2.643 1.00 0.00 H new ATOM 0 HG2 GLU A 839 -4.680 -19.677 -4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 839 -4.124 -20.033 -2.862 1.00 0.00 H new ATOM 1293 N MET A 840 -7.345 -16.143 -2.864 1.00 0.00 N ATOM 1294 CA MET A 840 -8.270 -15.223 -2.213 1.00 0.00 C ATOM 1295 C MET A 840 -9.289 -14.697 -3.216 1.00 0.00 C ATOM 1296 O MET A 840 -10.497 -14.785 -2.995 1.00 0.00 O ATOM 1297 CB MET A 840 -7.507 -14.060 -1.579 1.00 0.00 C ATOM 1298 CG MET A 840 -8.329 -13.261 -0.582 1.00 0.00 C ATOM 1299 SD MET A 840 -7.306 -12.289 0.542 1.00 0.00 S ATOM 1300 CE MET A 840 -6.396 -11.273 -0.618 1.00 0.00 C ATOM 0 H MET A 840 -6.400 -15.777 -2.982 1.00 0.00 H new ATOM 0 HA MET A 840 -8.799 -15.764 -1.428 1.00 0.00 H new ATOM 0 HB2 MET A 840 -6.621 -14.449 -1.077 1.00 0.00 H new ATOM 0 HB3 MET A 840 -7.159 -13.392 -2.367 1.00 0.00 H new ATOM 0 HG2 MET A 840 -9.002 -12.595 -1.123 1.00 0.00 H new ATOM 0 HG3 MET A 840 -8.952 -13.942 -0.003 1.00 0.00 H new ATOM 0 HE1 MET A 840 -5.868 -10.487 -0.077 1.00 0.00 H new ATOM 0 HE2 MET A 840 -5.676 -11.890 -1.156 1.00 0.00 H new ATOM 0 HE3 MET A 840 -7.089 -10.822 -1.328 1.00 0.00 H new ATOM 1310 N LEU A 841 -8.792 -14.156 -4.325 1.00 0.00 N ATOM 1311 CA LEU A 841 -9.657 -13.622 -5.371 1.00 0.00 C ATOM 1312 C LEU A 841 -10.334 -14.756 -6.134 1.00 0.00 C ATOM 1313 O LEU A 841 -11.291 -14.534 -6.877 1.00 0.00 O ATOM 1314 CB LEU A 841 -8.852 -12.754 -6.341 1.00 0.00 C ATOM 1315 CG LEU A 841 -7.817 -11.835 -5.688 1.00 0.00 C ATOM 1316 CD1 LEU A 841 -6.863 -11.283 -6.735 1.00 0.00 C ATOM 1317 CD2 LEU A 841 -8.505 -10.702 -4.941 1.00 0.00 C ATOM 0 H LEU A 841 -7.794 -14.076 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 841 -10.423 -13.007 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 841 -8.340 -13.407 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 841 -9.546 -12.142 -6.917 1.00 0.00 H new ATOM 0 HG LEU A 841 -7.241 -12.418 -4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 841 -6.133 -10.631 -6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 841 -6.346 -12.107 -7.226 1.00 0.00 H new ATOM 0 HD13 LEU A 841 -7.425 -10.714 -7.476 1.00 0.00 H new ATOM 0 HD21 LEU A 841 -7.753 -10.059 -4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 841 -9.106 -10.118 -5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 841 -9.149 -11.116 -4.165 1.00 0.00 H new ATOM 1329 N ALA A 842 -9.828 -15.969 -5.944 1.00 0.00 N ATOM 1330 CA ALA A 842 -10.376 -17.144 -6.610 1.00 0.00 C ATOM 1331 C ALA A 842 -11.721 -17.539 -6.010 1.00 0.00 C ATOM 1332 O ALA A 842 -12.747 -17.512 -6.689 1.00 0.00 O ATOM 1333 CB ALA A 842 -9.396 -18.306 -6.519 1.00 0.00 C ATOM 0 H ALA A 842 -9.036 -16.165 -5.332 1.00 0.00 H new ATOM 0 HA ALA A 842 -10.534 -16.895 -7.659 1.00 0.00 H new ATOM 0 HB1 ALA A 842 -9.817 -19.177 -7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 842 -8.458 -18.029 -7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 842 -9.210 -18.544 -5.472 1.00 0.00 H new ATOM 1339 N GLU A 843 -11.706 -17.904 -4.732 1.00 0.00 N ATOM 1340 CA GLU A 843 -12.922 -18.306 -4.034 1.00 0.00 C ATOM 1341 C GLU A 843 -13.898 -17.139 -3.923 1.00 0.00 C ATOM 1342 O GLU A 843 -15.111 -17.319 -4.021 1.00 0.00 O ATOM 1343 CB GLU A 843 -12.582 -18.837 -2.640 1.00 0.00 C ATOM 1344 CG GLU A 843 -13.169 -20.208 -2.351 1.00 0.00 C ATOM 1345 CD GLU A 843 -13.221 -20.519 -0.868 1.00 0.00 C ATOM 1346 OE1 GLU A 843 -14.081 -19.944 -0.171 1.00 0.00 O ATOM 1347 OE2 GLU A 843 -12.400 -21.340 -0.406 1.00 0.00 O ATOM 0 H GLU A 843 -10.863 -17.930 -4.158 1.00 0.00 H new ATOM 0 HA GLU A 843 -13.398 -19.099 -4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 843 -11.498 -18.885 -2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 843 -12.945 -18.131 -1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 843 -14.176 -20.263 -2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 843 -12.574 -20.968 -2.857 1.00 0.00 H new ATOM 1354 N ASN A 844 -13.357 -15.942 -3.718 1.00 0.00 N ATOM 1355 CA ASN A 844 -14.176 -14.741 -3.594 1.00 0.00 C ATOM 1356 C ASN A 844 -14.682 -14.286 -4.959 1.00 0.00 C ATOM 1357 O ASN A 844 -15.486 -13.356 -5.053 1.00 0.00 O ATOM 1358 CB ASN A 844 -13.369 -13.617 -2.941 1.00 0.00 C ATOM 1359 CG ASN A 844 -13.441 -13.656 -1.428 1.00 0.00 C ATOM 1360 OD1 ASN A 844 -12.285 -13.577 -0.778 1.00 0.00 O flip ATOM 1361 ND2 ASN A 844 -14.522 -13.756 -0.848 1.00 0.00 N flip ATOM 0 H ASN A 844 -12.354 -15.778 -3.634 1.00 0.00 H new ATOM 0 HA ASN A 844 -15.035 -14.979 -2.966 1.00 0.00 H new ATOM 0 HB2 ASN A 844 -12.328 -13.692 -3.254 1.00 0.00 H new ATOM 0 HB3 ASN A 844 -13.740 -12.655 -3.295 1.00 0.00 H new ATOM 0 HD21 ASN A 844 -15.386 -13.814 -1.387 1.00 0.00 H new ATOM 0 HD22 ASN A 844 -14.554 -13.781 0.171 1.00 0.00 H new ATOM 1368 N ASN A 845 -14.201 -14.943 -6.011 1.00 0.00 N ATOM 1369 CA ASN A 845 -14.597 -14.605 -7.375 1.00 0.00 C ATOM 1370 C ASN A 845 -14.284 -13.143 -7.680 1.00 0.00 C ATOM 1371 O ASN A 845 -14.908 -12.529 -8.547 1.00 0.00 O ATOM 1372 CB ASN A 845 -16.088 -14.881 -7.587 1.00 0.00 C ATOM 1373 CG ASN A 845 -16.413 -15.222 -9.029 1.00 0.00 C ATOM 1374 OD1 ASN A 845 -15.720 -16.018 -9.662 1.00 0.00 O ATOM 1375 ND2 ASN A 845 -17.470 -14.617 -9.556 1.00 0.00 N ATOM 0 H ASN A 845 -13.536 -15.713 -5.945 1.00 0.00 H new ATOM 0 HA ASN A 845 -14.026 -15.232 -8.059 1.00 0.00 H new ATOM 0 HB2 ASN A 845 -16.398 -15.704 -6.943 1.00 0.00 H new ATOM 0 HB3 ASN A 845 -16.663 -14.006 -7.285 1.00 0.00 H new ATOM 0 HD21 ASN A 845 -17.736 -14.805 -10.523 1.00 0.00 H new ATOM 0 HD22 ASN A 845 -18.016 -13.964 -8.994 1.00 0.00 H new ATOM 1382 N GLU A 846 -13.310 -12.594 -6.959 1.00 0.00 N ATOM 1383 CA GLU A 846 -12.904 -11.206 -7.143 1.00 0.00 C ATOM 1384 C GLU A 846 -12.274 -11.000 -8.517 1.00 0.00 C ATOM 1385 O GLU A 846 -12.250 -11.911 -9.345 1.00 0.00 O ATOM 1386 CB GLU A 846 -11.917 -10.796 -6.048 1.00 0.00 C ATOM 1387 CG GLU A 846 -12.553 -9.995 -4.923 1.00 0.00 C ATOM 1388 CD GLU A 846 -12.337 -8.503 -5.076 1.00 0.00 C ATOM 1389 OE1 GLU A 846 -13.181 -7.844 -5.719 1.00 0.00 O ATOM 1390 OE2 GLU A 846 -11.324 -7.993 -4.552 1.00 0.00 O ATOM 0 H GLU A 846 -12.786 -13.092 -6.240 1.00 0.00 H new ATOM 0 HA GLU A 846 -13.793 -10.579 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 846 -11.458 -11.692 -5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 846 -11.116 -10.207 -6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 846 -13.623 -10.202 -4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 846 -12.139 -10.323 -3.969 1.00 0.00 H new ATOM 1397 N LYS A 847 -11.767 -9.794 -8.755 1.00 0.00 N ATOM 1398 CA LYS A 847 -11.139 -9.468 -10.031 1.00 0.00 C ATOM 1399 C LYS A 847 -10.009 -8.458 -9.846 1.00 0.00 C ATOM 1400 O LYS A 847 -9.037 -8.459 -10.600 1.00 0.00 O ATOM 1401 CB LYS A 847 -12.179 -8.910 -11.005 1.00 0.00 C ATOM 1402 CG LYS A 847 -11.900 -9.260 -12.456 1.00 0.00 C ATOM 1403 CD LYS A 847 -12.567 -10.567 -12.852 1.00 0.00 C ATOM 1404 CE LYS A 847 -11.913 -11.177 -14.082 1.00 0.00 C ATOM 1405 NZ LYS A 847 -12.146 -10.353 -15.300 1.00 0.00 N ATOM 0 H LYS A 847 -11.779 -9.028 -8.082 1.00 0.00 H new ATOM 0 HA LYS A 847 -10.716 -10.385 -10.441 1.00 0.00 H new ATOM 0 HB2 LYS A 847 -13.163 -9.290 -10.731 1.00 0.00 H new ATOM 0 HB3 LYS A 847 -12.216 -7.826 -10.902 1.00 0.00 H new ATOM 0 HG2 LYS A 847 -12.259 -8.457 -13.100 1.00 0.00 H new ATOM 0 HG3 LYS A 847 -10.824 -9.337 -12.612 1.00 0.00 H new ATOM 0 HD2 LYS A 847 -12.511 -11.271 -12.022 1.00 0.00 H new ATOM 0 HD3 LYS A 847 -13.624 -10.392 -13.050 1.00 0.00 H new ATOM 0 HE2 LYS A 847 -10.841 -11.278 -13.911 1.00 0.00 H new ATOM 0 HE3 LYS A 847 -12.306 -12.181 -14.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 847 -11.685 -10.802 -16.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 847 -13.168 -10.278 -15.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 847 -11.749 -9.403 -15.157 1.00 0.00 H new ATOM 1419 N PHE A 848 -10.145 -7.599 -8.842 1.00 0.00 N ATOM 1420 CA PHE A 848 -9.134 -6.583 -8.563 1.00 0.00 C ATOM 1421 C PHE A 848 -8.712 -6.622 -7.096 1.00 0.00 C ATOM 1422 O PHE A 848 -9.334 -7.300 -6.279 1.00 0.00 O ATOM 1423 CB PHE A 848 -9.662 -5.192 -8.923 1.00 0.00 C ATOM 1424 CG PHE A 848 -10.734 -4.688 -7.996 1.00 0.00 C ATOM 1425 CD1 PHE A 848 -11.971 -5.310 -7.940 1.00 0.00 C ATOM 1426 CD2 PHE A 848 -10.503 -3.589 -7.185 1.00 0.00 C ATOM 1427 CE1 PHE A 848 -12.957 -4.847 -7.090 1.00 0.00 C ATOM 1428 CE2 PHE A 848 -11.486 -3.120 -6.333 1.00 0.00 C ATOM 1429 CZ PHE A 848 -12.714 -3.750 -6.285 1.00 0.00 C ATOM 0 H PHE A 848 -10.944 -7.585 -8.208 1.00 0.00 H new ATOM 0 HA PHE A 848 -8.260 -6.798 -9.177 1.00 0.00 H new ATOM 0 HB2 PHE A 848 -8.831 -4.487 -8.919 1.00 0.00 H new ATOM 0 HB3 PHE A 848 -10.056 -5.215 -9.939 1.00 0.00 H new ATOM 0 HD1 PHE A 848 -12.167 -6.167 -8.568 1.00 0.00 H new ATOM 0 HD2 PHE A 848 -9.544 -3.093 -7.219 1.00 0.00 H new ATOM 0 HE1 PHE A 848 -13.916 -5.342 -7.055 1.00 0.00 H new ATOM 0 HE2 PHE A 848 -11.294 -2.262 -5.706 1.00 0.00 H new ATOM 0 HZ PHE A 848 -13.483 -3.386 -5.620 1.00 0.00 H new ATOM 1439 N LEU A 849 -7.649 -5.891 -6.772 1.00 0.00 N ATOM 1440 CA LEU A 849 -7.142 -5.843 -5.406 1.00 0.00 C ATOM 1441 C LEU A 849 -6.437 -4.518 -5.132 1.00 0.00 C ATOM 1442 O LEU A 849 -5.650 -4.042 -5.950 1.00 0.00 O ATOM 1443 CB LEU A 849 -6.180 -7.007 -5.157 1.00 0.00 C ATOM 1444 CG LEU A 849 -5.967 -7.371 -3.687 1.00 0.00 C ATOM 1445 CD1 LEU A 849 -7.225 -7.994 -3.103 1.00 0.00 C ATOM 1446 CD2 LEU A 849 -4.785 -8.318 -3.542 1.00 0.00 C ATOM 0 H LEU A 849 -7.123 -5.324 -7.437 1.00 0.00 H new ATOM 0 HA LEU A 849 -7.990 -5.929 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 849 -6.554 -7.886 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 849 -5.214 -6.760 -5.597 1.00 0.00 H new ATOM 0 HG LEU A 849 -5.749 -6.458 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 849 -7.054 -8.246 -2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 849 -8.050 -7.285 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 849 -7.475 -8.898 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 849 -4.646 -8.568 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 849 -4.977 -9.229 -4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 849 -3.884 -7.837 -3.923 1.00 0.00 H new ATOM 1458 N ASN A 850 -6.726 -3.927 -3.976 1.00 0.00 N ATOM 1459 CA ASN A 850 -6.122 -2.656 -3.592 1.00 0.00 C ATOM 1460 C ASN A 850 -4.783 -2.878 -2.897 1.00 0.00 C ATOM 1461 O ASN A 850 -4.690 -3.640 -1.934 1.00 0.00 O ATOM 1462 CB ASN A 850 -7.063 -1.878 -2.671 1.00 0.00 C ATOM 1463 CG ASN A 850 -8.517 -2.016 -3.078 1.00 0.00 C ATOM 1464 OD1 ASN A 850 -9.212 -2.975 -2.476 1.00 0.00 O flip ATOM 1465 ND2 ASN A 850 -9.011 -1.268 -3.923 1.00 0.00 N flip ATOM 0 H ASN A 850 -7.376 -4.309 -3.289 1.00 0.00 H new ATOM 0 HA ASN A 850 -5.949 -2.076 -4.499 1.00 0.00 H new ATOM 0 HB2 ASN A 850 -6.940 -2.232 -1.648 1.00 0.00 H new ATOM 0 HB3 ASN A 850 -6.785 -0.824 -2.679 1.00 0.00 H new ATOM 0 HD21 ASN A 850 -8.440 -0.545 -4.360 1.00 0.00 H new ATOM 0 HD22 ASN A 850 -9.991 -1.372 -4.186 1.00 0.00 H new ATOM 1472 N ILE A 851 -3.747 -2.206 -3.391 1.00 0.00 N ATOM 1473 CA ILE A 851 -2.411 -2.329 -2.816 1.00 0.00 C ATOM 1474 C ILE A 851 -1.863 -0.967 -2.404 1.00 0.00 C ATOM 1475 O ILE A 851 -2.131 0.045 -3.054 1.00 0.00 O ATOM 1476 CB ILE A 851 -1.424 -2.985 -3.802 1.00 0.00 C ATOM 1477 CG1 ILE A 851 -2.122 -4.086 -4.611 1.00 0.00 C ATOM 1478 CG2 ILE A 851 -0.220 -3.542 -3.055 1.00 0.00 C ATOM 1479 CD1 ILE A 851 -2.606 -5.250 -3.772 1.00 0.00 C ATOM 0 H ILE A 851 -3.807 -1.571 -4.187 1.00 0.00 H new ATOM 0 HA ILE A 851 -2.508 -2.965 -1.936 1.00 0.00 H new ATOM 0 HB ILE A 851 -1.072 -2.224 -4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 851 -2.972 -3.653 -5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 851 -1.433 -4.459 -5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 851 0.468 -4.002 -3.765 1.00 0.00 H new ATOM 0 HG22 ILE A 851 0.288 -2.733 -2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 851 -0.553 -4.290 -2.335 1.00 0.00 H new ATOM 0 HD11 ILE A 851 -3.088 -5.986 -4.415 1.00 0.00 H new ATOM 0 HD12 ILE A 851 -1.758 -5.711 -3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 851 -3.321 -4.892 -3.031 1.00 0.00 H new ATOM 1491 N ARG A 852 -1.092 -0.952 -1.323 1.00 0.00 N ATOM 1492 CA ARG A 852 -0.501 0.283 -0.824 1.00 0.00 C ATOM 1493 C ARG A 852 1.022 0.203 -0.847 1.00 0.00 C ATOM 1494 O ARG A 852 1.603 -0.851 -0.583 1.00 0.00 O ATOM 1495 CB ARG A 852 -0.989 0.569 0.598 1.00 0.00 C ATOM 1496 CG ARG A 852 -0.733 1.997 1.051 1.00 0.00 C ATOM 1497 CD ARG A 852 -1.874 2.522 1.908 1.00 0.00 C ATOM 1498 NE ARG A 852 -1.984 3.977 1.842 1.00 0.00 N ATOM 1499 CZ ARG A 852 -3.141 4.633 1.870 1.00 0.00 C ATOM 1500 NH1 ARG A 852 -4.285 3.966 1.964 1.00 0.00 N ATOM 1501 NH2 ARG A 852 -3.155 5.957 1.804 1.00 0.00 N ATOM 0 H ARG A 852 -0.862 -1.781 -0.776 1.00 0.00 H new ATOM 0 HA ARG A 852 -0.814 1.098 -1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 852 -2.058 0.364 0.655 1.00 0.00 H new ATOM 0 HB3 ARG A 852 -0.496 -0.116 1.288 1.00 0.00 H new ATOM 0 HG2 ARG A 852 0.198 2.039 1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 852 -0.606 2.639 0.179 1.00 0.00 H new ATOM 0 HD2 ARG A 852 -2.811 2.072 1.579 1.00 0.00 H new ATOM 0 HD3 ARG A 852 -1.720 2.217 2.943 1.00 0.00 H new ATOM 0 HE ARG A 852 -1.124 4.521 1.770 1.00 0.00 H new ATOM 0 HH11 ARG A 852 -4.279 2.947 2.015 1.00 0.00 H new ATOM 0 HH12 ARG A 852 -5.170 4.472 1.985 1.00 0.00 H new ATOM 0 HH21 ARG A 852 -2.278 6.473 1.732 1.00 0.00 H new ATOM 0 HH22 ARG A 852 -4.042 6.459 1.825 1.00 0.00 H new ATOM 1515 N LEU A 853 1.659 1.325 -1.166 1.00 0.00 N ATOM 1516 CA LEU A 853 3.114 1.392 -1.227 1.00 0.00 C ATOM 1517 C LEU A 853 3.690 1.885 0.096 1.00 0.00 C ATOM 1518 O LEU A 853 3.056 2.665 0.807 1.00 0.00 O ATOM 1519 CB LEU A 853 3.555 2.314 -2.367 1.00 0.00 C ATOM 1520 CG LEU A 853 4.521 1.687 -3.376 1.00 0.00 C ATOM 1521 CD1 LEU A 853 5.831 1.316 -2.700 1.00 0.00 C ATOM 1522 CD2 LEU A 853 3.893 0.465 -4.030 1.00 0.00 C ATOM 0 H LEU A 853 1.188 2.203 -1.387 1.00 0.00 H new ATOM 0 HA LEU A 853 3.493 0.388 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 853 2.668 2.655 -2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 853 4.027 3.197 -1.937 1.00 0.00 H new ATOM 0 HG LEU A 853 4.731 2.422 -4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 853 6.505 0.872 -3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 853 6.290 2.211 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 853 5.638 0.599 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 853 4.595 0.033 -4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 853 3.653 -0.274 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 853 2.981 0.759 -4.550 1.00 0.00 H new ATOM 1534 N TYR A 854 4.892 1.419 0.424 1.00 0.00 N ATOM 1535 CA TYR A 854 5.547 1.810 1.668 1.00 0.00 C ATOM 1536 C TYR A 854 7.030 2.090 1.444 1.00 0.00 C ATOM 1537 O TYR A 854 7.820 1.900 2.393 1.00 0.00 O ATOM 1538 CB TYR A 854 5.370 0.712 2.717 1.00 0.00 C ATOM 1539 CG TYR A 854 3.922 0.380 2.981 1.00 0.00 C ATOM 1540 CD1 TYR A 854 3.266 -0.587 2.231 1.00 0.00 C ATOM 1541 CD2 TYR A 854 3.208 1.042 3.969 1.00 0.00 C ATOM 1542 CE1 TYR A 854 1.938 -0.886 2.461 1.00 0.00 C ATOM 1543 CE2 TYR A 854 1.880 0.749 4.206 1.00 0.00 C ATOM 1544 CZ TYR A 854 1.249 -0.215 3.450 1.00 0.00 C ATOM 1545 OH TYR A 854 -0.075 -0.511 3.682 1.00 0.00 O ATOM 1546 OXT TYR A 854 7.390 2.500 0.320 1.00 0.00 O ATOM 0 H TYR A 854 5.430 0.772 -0.152 1.00 0.00 H new ATOM 0 HA TYR A 854 5.081 2.728 2.026 1.00 0.00 H new ATOM 0 HB2 TYR A 854 5.889 -0.187 2.385 1.00 0.00 H new ATOM 0 HB3 TYR A 854 5.841 1.027 3.648 1.00 0.00 H new ATOM 0 HD1 TYR A 854 3.803 -1.113 1.456 1.00 0.00 H new ATOM 0 HD2 TYR A 854 3.699 1.799 4.562 1.00 0.00 H new ATOM 0 HE1 TYR A 854 1.441 -1.641 1.870 1.00 0.00 H new ATOM 0 HE2 TYR A 854 1.338 1.273 4.980 1.00 0.00 H new ATOM 0 HH TYR A 854 -0.412 0.049 4.412 1.00 0.00 H new TER 1556 TYR A 854