USER MOD reduce.3.24.130724 H: found=0, std=0, add=996, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 996 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 834 LYS NZ :NH3+ 175:sc= 1.26 (180deg=0.764) USER MOD Set 1.2: A 879 TYR OH : rot 170:sc= 1.05 USER MOD Set 1.3: A 880 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 808 THR OG1 : rot -164:sc= 1.2 USER MOD Set 2.2: A 810 GLN :FLIP amide:sc= 0.751 F(o=-0.86,f=2) USER MOD Set 3.1: A 772 LYS NZ :NH3+ -157:sc= 1.09 (180deg=0) USER MOD Set 3.2: A 784 ASN : amide:sc= 1.66 K(o=2.7,f=-6.5!) USER MOD Set 4.1: A 763 SER OG : rot -87:sc= 1.15 USER MOD Set 4.2: A 765 THR OG1 : rot 36:sc= 0.603 USER MOD Set 5.1: A 756 ASN : amide:sc= 0.436 X(o=0.32,f=-0.07) USER MOD Set 5.2: A 762 HIS : no HD1:sc= -0.118 X(o=0.32,f=0.44) USER MOD Set 6.1: A 754 SER OG : rot -106:sc= 0.895 USER MOD Set 6.2: A 774 CYS SG : rot 180:sc= 0.752 USER MOD Set 7.1: A 742 SER OG : rot -44:sc= 0.64 USER MOD Set 7.2: A 817 SER OG : rot 45:sc= 0.184 USER MOD Single : A 744 SER OG : rot -160:sc= 0 USER MOD Single : A 745 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 747 GLN : amide:sc= -0.0518 K(o=-0.052,f=-0.71) USER MOD Single : A 748 MET CE :methyl 133:sc= -1.7 (180deg=-4.04!) USER MOD Single : A 749 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 757 HIS :FLIP no HD1:sc= -0.0622 F(o=-0.58,f=-0.062) USER MOD Single : A 777 SER OG : rot 128:sc= 0.374 USER MOD Single : A 780 TYR OH : rot 180:sc= -0.164 USER MOD Single : A 787 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.0074) USER MOD Single : A 796 MET CE :methyl -166:sc= 0 (180deg=-0.0228) USER MOD Single : A 797 SER OG : rot 180:sc= 0 USER MOD Single : A 802 ASN :FLIP amide:sc= 0 F(o=-2.1,f=0) USER MOD Single : A 816 MET CE :methyl 140:sc= -5.45! (180deg=-9.17!) USER MOD Single : A 820 THR OG1 : rot -87:sc= 0.823 USER MOD Single : A 823 THR OG1 : rot 180:sc= 0 USER MOD Single : A 825 THR OG1 : rot -162:sc= 1.13 USER MOD Single : A 828 GLN : amide:sc= -0.355 X(o=-0.36,f=-0.012) USER MOD Single : A 830 MET CE :methyl -156:sc= 0 (180deg=-0.734) USER MOD Single : A 832 SER OG : rot 126:sc= 1.24 USER MOD Single : A 840 LYS NZ :NH3+ -136:sc= 0.49 (180deg=-0.507!) USER MOD Single : A 841 ASN : amide:sc= 0.186 K(o=0.19,f=-3!) USER MOD Single : A 842 TYR OH : rot 180:sc= 0 USER MOD Single : A 844 THR OG1 : rot -70:sc= 0.565 USER MOD Single : A 845 MET CE :methyl 151:sc= -0.171 (180deg=-1.12) USER MOD Single : A 856 GLN : amide:sc= -0.767 K(o=-0.77,f=-6.3!) USER MOD Single : A 859 TYR OH : rot 41:sc= 0.735 USER MOD Single : A 860 CYS SG : rot 19:sc= 1.1 USER MOD Single : A 864 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 867 TYR OH : rot 73:sc= 0.443 USER MOD Single : A 881 SER OG : rot -43:sc= 0.489 USER MOD ----------------------------------------------------------------- ATOM 21 N SER A 742 -3.761 -10.091 -6.913 1.00 25.00 N ATOM 22 CA SER A 742 -2.350 -10.015 -6.527 1.00 25.00 C ATOM 23 C SER A 742 -2.221 -9.839 -5.017 1.00 25.00 C ATOM 24 O SER A 742 -1.253 -10.250 -4.390 1.00 25.00 O ATOM 25 CB SER A 742 -1.729 -8.819 -7.229 1.00 25.00 C ATOM 26 OG SER A 742 -2.664 -7.744 -7.298 1.00 25.00 O ATOM 0 HA SER A 742 -1.841 -10.936 -6.813 1.00 25.00 H new ATOM 0 HB2 SER A 742 -0.835 -8.499 -6.694 1.00 25.00 H new ATOM 0 HB3 SER A 742 -1.415 -9.101 -8.234 1.00 25.00 H new ATOM 0 HG SER A 742 -3.540 -8.089 -7.569 1.00 25.00 H new ATOM 32 N ILE A 743 -3.237 -9.222 -4.438 1.00 25.00 N ATOM 33 CA ILE A 743 -3.315 -9.040 -3.007 1.00 25.00 C ATOM 34 C ILE A 743 -3.471 -10.425 -2.344 1.00 25.00 C ATOM 35 O ILE A 743 -4.143 -11.316 -2.872 1.00 25.00 O ATOM 36 CB ILE A 743 -4.484 -8.098 -2.656 1.00 25.00 C ATOM 37 CG1 ILE A 743 -4.012 -7.182 -1.532 1.00 25.00 C ATOM 38 CG2 ILE A 743 -5.785 -8.877 -2.349 1.00 25.00 C ATOM 39 CD1 ILE A 743 -5.095 -6.492 -0.742 1.00 25.00 C ATOM 0 H ILE A 743 -4.029 -8.835 -4.951 1.00 25.00 H new ATOM 0 HA ILE A 743 -2.405 -8.574 -2.630 1.00 25.00 H new ATOM 0 HB ILE A 743 -4.758 -7.478 -3.510 1.00 25.00 H new ATOM 0 HG12 ILE A 743 -3.405 -7.769 -0.843 1.00 25.00 H new ATOM 0 HG13 ILE A 743 -3.361 -6.420 -1.960 1.00 25.00 H new ATOM 0 HG21 ILE A 743 -6.582 -8.174 -2.107 1.00 25.00 H new ATOM 0 HG22 ILE A 743 -6.072 -9.464 -3.221 1.00 25.00 H new ATOM 0 HG23 ILE A 743 -5.619 -9.543 -1.502 1.00 25.00 H new ATOM 0 HD11 ILE A 743 -4.642 -5.868 0.029 1.00 25.00 H new ATOM 0 HD12 ILE A 743 -5.691 -5.869 -1.409 1.00 25.00 H new ATOM 0 HD13 ILE A 743 -5.736 -7.239 -0.274 1.00 25.00 H new ATOM 51 N SER A 744 -2.852 -10.612 -1.193 1.00 25.00 N ATOM 52 CA SER A 744 -2.950 -11.877 -0.481 1.00 25.00 C ATOM 53 C SER A 744 -4.158 -11.871 0.432 1.00 25.00 C ATOM 54 O SER A 744 -4.676 -10.813 0.802 1.00 25.00 O ATOM 55 CB SER A 744 -1.695 -12.119 0.350 1.00 25.00 C ATOM 56 OG SER A 744 -0.598 -12.416 -0.485 1.00 25.00 O ATOM 0 H SER A 744 -2.277 -9.908 -0.731 1.00 25.00 H new ATOM 0 HA SER A 744 -3.054 -12.675 -1.216 1.00 25.00 H new ATOM 0 HB2 SER A 744 -1.474 -11.237 0.950 1.00 25.00 H new ATOM 0 HB3 SER A 744 -1.865 -12.942 1.044 1.00 25.00 H new ATOM 0 HG SER A 744 0.097 -12.870 0.037 1.00 25.00 H new ATOM 62 N GLN A 745 -4.594 -13.062 0.816 1.00 25.00 N ATOM 63 CA GLN A 745 -5.732 -13.207 1.718 1.00 25.00 C ATOM 64 C GLN A 745 -5.422 -12.593 3.076 1.00 25.00 C ATOM 65 O GLN A 745 -6.321 -12.166 3.786 1.00 25.00 O ATOM 66 CB GLN A 745 -6.094 -14.686 1.889 1.00 25.00 C ATOM 67 CG GLN A 745 -6.862 -15.275 0.696 1.00 25.00 C ATOM 68 CD GLN A 745 -8.383 -15.186 0.839 1.00 25.00 C ATOM 69 OE1 GLN A 745 -8.871 -14.138 1.456 1.00 25.00 O flip ATOM 70 NE2 GLN A 745 -9.100 -16.059 0.386 1.00 25.00 N flip ATOM 0 H GLN A 745 -4.178 -13.944 0.518 1.00 25.00 H new ATOM 0 HA GLN A 745 -6.581 -12.682 1.280 1.00 25.00 H new ATOM 0 HB2 GLN A 745 -5.180 -15.260 2.040 1.00 25.00 H new ATOM 0 HB3 GLN A 745 -6.696 -14.802 2.790 1.00 25.00 H new ATOM 0 HG2 GLN A 745 -6.560 -14.753 -0.212 1.00 25.00 H new ATOM 0 HG3 GLN A 745 -6.578 -16.320 0.573 1.00 25.00 H new ATOM 0 HE21 GLN A 745 -8.688 -16.862 -0.089 1.00 25.00 H new ATOM 0 HE22 GLN A 745 -10.113 -15.987 0.481 1.00 25.00 H new ATOM 79 N GLU A 746 -4.151 -12.534 3.432 1.00 25.00 N ATOM 80 CA GLU A 746 -3.748 -11.942 4.701 1.00 25.00 C ATOM 81 C GLU A 746 -3.653 -10.429 4.580 1.00 25.00 C ATOM 82 O GLU A 746 -4.084 -9.721 5.484 1.00 25.00 O ATOM 83 CB GLU A 746 -2.435 -12.562 5.168 1.00 25.00 C ATOM 84 CG GLU A 746 -2.626 -14.021 5.569 1.00 25.00 C ATOM 85 CD GLU A 746 -1.329 -14.707 5.936 1.00 25.00 C ATOM 86 OE1 GLU A 746 -0.466 -14.848 5.046 1.00 25.00 O ATOM 87 OE2 GLU A 746 -1.179 -15.122 7.106 1.00 25.00 O ATOM 0 H GLU A 746 -3.380 -12.887 2.864 1.00 25.00 H new ATOM 0 HA GLU A 746 -4.505 -12.155 5.455 1.00 25.00 H new ATOM 0 HB2 GLU A 746 -1.694 -12.495 4.371 1.00 25.00 H new ATOM 0 HB3 GLU A 746 -2.044 -11.998 6.015 1.00 25.00 H new ATOM 0 HG2 GLU A 746 -3.310 -14.073 6.416 1.00 25.00 H new ATOM 0 HG3 GLU A 746 -3.096 -14.560 4.746 1.00 25.00 H new ATOM 94 N GLN A 747 -3.138 -9.935 3.456 1.00 25.00 N ATOM 95 CA GLN A 747 -3.055 -8.487 3.226 1.00 25.00 C ATOM 96 C GLN A 747 -4.430 -7.866 3.317 1.00 25.00 C ATOM 97 O GLN A 747 -4.611 -6.800 3.893 1.00 25.00 O ATOM 98 CB GLN A 747 -2.473 -8.160 1.836 1.00 25.00 C ATOM 99 CG GLN A 747 -2.260 -6.650 1.594 1.00 25.00 C ATOM 100 CD GLN A 747 -1.188 -6.087 2.496 1.00 25.00 C ATOM 101 OE1 GLN A 747 -0.021 -6.248 2.234 1.00 25.00 O ATOM 102 NE2 GLN A 747 -1.602 -5.448 3.553 1.00 25.00 N ATOM 0 H GLN A 747 -2.774 -10.507 2.694 1.00 25.00 H new ATOM 0 HA GLN A 747 -2.396 -8.080 3.993 1.00 25.00 H new ATOM 0 HB2 GLN A 747 -1.520 -8.676 1.720 1.00 25.00 H new ATOM 0 HB3 GLN A 747 -3.142 -8.551 1.070 1.00 25.00 H new ATOM 0 HG2 GLN A 747 -1.984 -6.483 0.553 1.00 25.00 H new ATOM 0 HG3 GLN A 747 -3.196 -6.118 1.765 1.00 25.00 H new ATOM 0 HE21 GLN A 747 -2.602 -5.341 3.726 1.00 25.00 H new ATOM 0 HE22 GLN A 747 -0.927 -5.054 4.208 1.00 25.00 H new ATOM 111 N MET A 748 -5.429 -8.535 2.760 1.00 25.00 N ATOM 112 CA MET A 748 -6.771 -7.995 2.758 1.00 25.00 C ATOM 113 C MET A 748 -7.361 -8.118 4.141 1.00 25.00 C ATOM 114 O MET A 748 -8.294 -7.414 4.473 1.00 25.00 O ATOM 115 CB MET A 748 -7.665 -8.713 1.741 1.00 25.00 C ATOM 116 CG MET A 748 -7.934 -10.162 2.020 1.00 25.00 C ATOM 117 SD MET A 748 -9.501 -10.728 1.309 1.00 25.00 S ATOM 118 CE MET A 748 -9.424 -10.108 -0.357 1.00 25.00 C ATOM 0 H MET A 748 -5.333 -9.445 2.308 1.00 25.00 H new ATOM 0 HA MET A 748 -6.718 -6.945 2.469 1.00 25.00 H new ATOM 0 HB2 MET A 748 -8.619 -8.189 1.690 1.00 25.00 H new ATOM 0 HB3 MET A 748 -7.203 -8.631 0.757 1.00 25.00 H new ATOM 0 HG2 MET A 748 -7.119 -10.763 1.618 1.00 25.00 H new ATOM 0 HG3 MET A 748 -7.948 -10.324 3.098 1.00 25.00 H new ATOM 0 HE1 MET A 748 -9.706 -10.898 -1.053 1.00 25.00 H new ATOM 0 HE2 MET A 748 -10.110 -9.268 -0.465 1.00 25.00 H new ATOM 0 HE3 MET A 748 -8.409 -9.777 -0.576 1.00 25.00 H new ATOM 128 N ASN A 749 -6.821 -9.015 4.951 1.00 25.00 N ATOM 129 CA ASN A 749 -7.385 -9.270 6.266 1.00 25.00 C ATOM 130 C ASN A 749 -6.859 -8.272 7.293 1.00 25.00 C ATOM 131 O ASN A 749 -7.571 -7.894 8.215 1.00 25.00 O ATOM 132 CB ASN A 749 -7.114 -10.721 6.694 1.00 25.00 C ATOM 133 CG ASN A 749 -6.736 -10.821 8.140 1.00 25.00 C ATOM 134 OD1 ASN A 749 -7.587 -10.904 9.015 1.00 25.00 O ATOM 135 ND2 ASN A 749 -5.458 -10.833 8.405 1.00 25.00 N ATOM 0 H ASN A 749 -5.999 -9.575 4.723 1.00 25.00 H new ATOM 0 HA ASN A 749 -8.465 -9.134 6.210 1.00 25.00 H new ATOM 0 HB2 ASN A 749 -8.003 -11.325 6.509 1.00 25.00 H new ATOM 0 HB3 ASN A 749 -6.314 -11.136 6.081 1.00 25.00 H new ATOM 0 HD21 ASN A 749 -5.138 -10.914 9.370 1.00 25.00 H new ATOM 0 HD22 ASN A 749 -4.779 -10.762 7.647 1.00 25.00 H new ATOM 142 N GLU A 750 -5.623 -7.839 7.143 1.00 25.00 N ATOM 143 CA GLU A 750 -5.096 -6.815 8.035 1.00 25.00 C ATOM 144 C GLU A 750 -5.563 -5.436 7.537 1.00 25.00 C ATOM 145 O GLU A 750 -5.894 -4.571 8.336 1.00 25.00 O ATOM 146 CB GLU A 750 -3.572 -6.919 8.166 1.00 25.00 C ATOM 147 CG GLU A 750 -2.786 -6.830 6.872 1.00 25.00 C ATOM 148 CD GLU A 750 -1.491 -7.615 6.970 1.00 25.00 C ATOM 149 OE1 GLU A 750 -0.727 -7.375 7.930 1.00 25.00 O ATOM 150 OE2 GLU A 750 -1.255 -8.488 6.107 1.00 25.00 O ATOM 0 H GLU A 750 -4.973 -8.169 6.429 1.00 25.00 H new ATOM 0 HA GLU A 750 -5.485 -6.963 9.042 1.00 25.00 H new ATOM 0 HB2 GLU A 750 -3.229 -6.126 8.831 1.00 25.00 H new ATOM 0 HB3 GLU A 750 -3.333 -7.866 8.649 1.00 25.00 H new ATOM 0 HG2 GLU A 750 -3.388 -7.215 6.049 1.00 25.00 H new ATOM 0 HG3 GLU A 750 -2.567 -5.786 6.646 1.00 25.00 H new ATOM 157 N PHE A 751 -5.627 -5.244 6.226 1.00 25.00 N ATOM 158 CA PHE A 751 -6.097 -3.977 5.672 1.00 25.00 C ATOM 159 C PHE A 751 -7.595 -3.697 5.857 1.00 25.00 C ATOM 160 O PHE A 751 -8.018 -2.529 5.982 1.00 25.00 O ATOM 161 CB PHE A 751 -5.737 -3.902 4.178 1.00 25.00 C ATOM 162 CG PHE A 751 -6.276 -2.691 3.523 1.00 25.00 C ATOM 163 CD1 PHE A 751 -5.986 -1.403 4.016 1.00 25.00 C ATOM 164 CD2 PHE A 751 -7.089 -2.824 2.402 1.00 25.00 C ATOM 165 CE1 PHE A 751 -6.530 -0.270 3.405 1.00 25.00 C ATOM 166 CE2 PHE A 751 -7.611 -1.704 1.781 1.00 25.00 C ATOM 167 CZ PHE A 751 -7.344 -0.420 2.274 1.00 25.00 C ATOM 0 H PHE A 751 -5.362 -5.941 5.530 1.00 25.00 H new ATOM 0 HA PHE A 751 -5.586 -3.203 6.245 1.00 25.00 H new ATOM 0 HB2 PHE A 751 -4.653 -3.918 4.068 1.00 25.00 H new ATOM 0 HB3 PHE A 751 -6.122 -4.787 3.671 1.00 25.00 H new ATOM 0 HD1 PHE A 751 -5.338 -1.291 4.873 1.00 25.00 H new ATOM 0 HD2 PHE A 751 -7.314 -3.807 2.015 1.00 25.00 H new ATOM 0 HE1 PHE A 751 -6.325 0.713 3.801 1.00 25.00 H new ATOM 0 HE2 PHE A 751 -8.232 -1.821 0.905 1.00 25.00 H new ATOM 0 HZ PHE A 751 -7.762 0.448 1.786 1.00 25.00 H new ATOM 177 N ARG A 752 -8.387 -4.742 5.958 1.00 25.00 N ATOM 178 CA ARG A 752 -9.853 -4.582 6.211 1.00 25.00 C ATOM 179 C ARG A 752 -10.018 -3.998 7.585 1.00 25.00 C ATOM 180 O ARG A 752 -11.091 -3.556 7.913 1.00 25.00 O ATOM 181 CB ARG A 752 -10.566 -5.936 6.135 1.00 25.00 C ATOM 182 CG ARG A 752 -10.324 -6.857 7.275 1.00 25.00 C ATOM 183 CD ARG A 752 -11.437 -6.833 8.277 1.00 25.00 C ATOM 184 NE ARG A 752 -11.096 -7.665 9.445 1.00 25.00 N ATOM 185 CZ ARG A 752 -11.794 -7.722 10.572 1.00 25.00 C ATOM 186 NH1 ARG A 752 -12.903 -7.034 10.760 1.00 25.00 N ATOM 187 NH2 ARG A 752 -11.373 -8.478 11.545 1.00 25.00 N ATOM 0 H ARG A 752 -8.073 -5.709 5.874 1.00 25.00 H new ATOM 0 HA ARG A 752 -10.292 -3.929 5.456 1.00 25.00 H new ATOM 0 HB2 ARG A 752 -11.638 -5.757 6.058 1.00 25.00 H new ATOM 0 HB3 ARG A 752 -10.259 -6.436 5.216 1.00 25.00 H new ATOM 0 HG2 ARG A 752 -10.201 -7.872 6.898 1.00 25.00 H new ATOM 0 HG3 ARG A 752 -9.390 -6.584 7.767 1.00 25.00 H new ATOM 0 HD2 ARG A 752 -11.626 -5.808 8.596 1.00 25.00 H new ATOM 0 HD3 ARG A 752 -12.356 -7.198 7.818 1.00 25.00 H new ATOM 0 HE ARG A 752 -10.257 -8.242 9.382 1.00 25.00 H new ATOM 0 HH11 ARG A 752 -13.257 -6.426 10.022 1.00 25.00 H new ATOM 0 HH12 ARG A 752 -13.406 -7.110 11.644 1.00 25.00 H new ATOM 0 HH21 ARG A 752 -10.515 -9.018 11.436 1.00 25.00 H new ATOM 0 HH22 ARG A 752 -11.901 -8.530 12.416 1.00 25.00 H new ATOM 201 N ALA A 753 -9.029 -3.942 8.433 1.00 25.00 N ATOM 202 CA ALA A 753 -9.123 -3.250 9.715 1.00 25.00 C ATOM 203 C ALA A 753 -9.122 -1.790 9.522 1.00 25.00 C ATOM 204 O ALA A 753 -9.524 -1.049 10.408 1.00 25.00 O ATOM 205 CB ALA A 753 -7.851 -3.589 10.566 1.00 25.00 C ATOM 0 H ALA A 753 -8.121 -4.375 8.264 1.00 25.00 H new ATOM 0 HA ALA A 753 -10.044 -3.566 10.205 1.00 25.00 H new ATOM 0 HB1 ALA A 753 -7.909 -3.078 11.527 1.00 25.00 H new ATOM 0 HB2 ALA A 753 -7.799 -4.665 10.730 1.00 25.00 H new ATOM 0 HB3 ALA A 753 -6.959 -3.260 10.033 1.00 25.00 H new ATOM 211 N SER A 754 -8.676 -1.291 8.384 1.00 25.00 N ATOM 212 CA SER A 754 -8.721 0.200 8.131 1.00 25.00 C ATOM 213 C SER A 754 -10.157 0.868 8.008 1.00 25.00 C ATOM 214 O SER A 754 -10.366 1.885 8.226 1.00 25.00 O ATOM 215 CB SER A 754 -7.967 0.482 6.903 1.00 25.00 C ATOM 216 OG SER A 754 -7.157 1.639 7.105 1.00 25.00 O ATOM 0 H SER A 754 -8.285 -1.846 7.623 1.00 25.00 H new ATOM 0 HA SER A 754 -8.288 0.647 9.026 1.00 25.00 H new ATOM 0 HB2 SER A 754 -7.343 -0.372 6.641 1.00 25.00 H new ATOM 0 HB3 SER A 754 -8.652 0.644 6.071 1.00 25.00 H new ATOM 0 HG SER A 754 -7.546 2.399 6.624 1.00 25.00 H new ATOM 222 N PHE A 755 -11.059 -0.010 7.739 1.00 25.00 N ATOM 223 CA PHE A 755 -12.537 0.099 7.857 1.00 25.00 C ATOM 224 C PHE A 755 -12.968 0.764 9.127 1.00 25.00 C ATOM 225 O PHE A 755 -14.073 1.422 9.159 1.00 25.00 O ATOM 226 CB PHE A 755 -12.862 -1.346 7.714 1.00 25.00 C ATOM 227 CG PHE A 755 -13.627 -1.992 8.959 1.00 25.00 C ATOM 228 CD1 PHE A 755 -12.865 -2.594 9.948 1.00 25.00 C ATOM 229 CD2 PHE A 755 -15.037 -2.081 9.053 1.00 25.00 C ATOM 230 CE1 PHE A 755 -13.383 -3.191 10.933 1.00 25.00 C ATOM 231 CE2 PHE A 755 -15.704 -2.797 10.298 1.00 25.00 C ATOM 232 CZ PHE A 755 -14.614 -3.437 11.182 1.00 25.00 C ATOM 0 H PHE A 755 -10.789 -0.931 7.392 1.00 25.00 H new ATOM 0 HA PHE A 755 -13.056 0.737 7.142 1.00 25.00 H new ATOM 0 HB2 PHE A 755 -13.474 -1.479 6.822 1.00 25.00 H new ATOM 0 HB3 PHE A 755 -11.936 -1.897 7.550 1.00 25.00 H new ATOM 0 HD1 PHE A 755 -11.788 -2.551 9.874 1.00 25.00 H new ATOM 0 HD2 PHE A 755 -15.658 -1.661 8.276 1.00 25.00 H new ATOM 0 HE1 PHE A 755 -12.684 -3.547 11.675 1.00 25.00 H new ATOM 0 HE2 PHE A 755 -16.765 -2.832 10.498 1.00 25.00 H new ATOM 0 HZ PHE A 755 -14.886 -4.085 12.002 1.00 25.00 H new ATOM 242 N ASN A 756 -12.285 0.495 10.156 1.00 25.00 N ATOM 243 CA ASN A 756 -12.577 1.096 11.453 1.00 25.00 C ATOM 244 C ASN A 756 -11.476 2.076 11.929 1.00 25.00 C ATOM 245 O ASN A 756 -11.671 2.840 12.888 1.00 25.00 O ATOM 246 CB ASN A 756 -12.843 0.011 12.463 1.00 25.00 C ATOM 247 CG ASN A 756 -11.614 -0.515 13.153 1.00 25.00 C ATOM 248 OD1 ASN A 756 -11.161 -0.001 14.199 1.00 25.00 O ATOM 249 ND2 ASN A 756 -11.099 -1.564 12.658 1.00 25.00 N ATOM 0 H ASN A 756 -11.494 -0.149 10.160 1.00 25.00 H new ATOM 0 HA ASN A 756 -13.474 1.706 11.344 1.00 25.00 H new ATOM 0 HB2 ASN A 756 -13.531 0.394 13.216 1.00 25.00 H new ATOM 0 HB3 ASN A 756 -13.346 -0.817 11.964 1.00 25.00 H new ATOM 0 HD21 ASN A 756 -10.300 -2.004 13.114 1.00 25.00 H new ATOM 0 HD22 ASN A 756 -11.484 -1.967 11.804 1.00 25.00 H new ATOM 256 N HIS A 757 -10.305 1.999 11.284 1.00 25.00 N ATOM 257 CA HIS A 757 -9.158 2.852 11.653 1.00 25.00 C ATOM 258 C HIS A 757 -9.399 4.328 11.406 1.00 25.00 C ATOM 259 O HIS A 757 -9.232 5.135 12.310 1.00 25.00 O ATOM 260 CB HIS A 757 -7.934 2.408 10.837 1.00 25.00 C ATOM 261 CG HIS A 757 -6.648 3.043 11.263 1.00 25.00 C ATOM 262 ND1 HIS A 757 -6.253 4.364 11.275 1.00 25.00 N flip ATOM 263 CD2 HIS A 757 -5.582 2.355 11.759 1.00 25.00 C flip ATOM 264 CE1 HIS A 757 -4.961 4.459 11.782 1.00 25.00 C flip ATOM 265 NE2 HIS A 757 -4.616 3.213 12.055 1.00 25.00 N flip ATOM 0 H HIS A 757 -10.123 1.361 10.509 1.00 25.00 H new ATOM 0 HA HIS A 757 -9.000 2.731 12.725 1.00 25.00 H new ATOM 0 HB2 HIS A 757 -7.834 1.325 10.913 1.00 25.00 H new ATOM 0 HB3 HIS A 757 -8.109 2.639 9.786 1.00 25.00 H new ATOM 0 HD2 HIS A 757 -5.532 1.284 11.890 1.00 25.00 H new ATOM 0 HE1 HIS A 757 -4.371 5.353 11.922 1.00 25.00 H new ATOM 0 HE2 HIS A 757 -3.714 2.944 12.447 1.00 25.00 H new ATOM 273 N PHE A 758 -9.776 4.672 10.182 1.00 25.00 N ATOM 274 CA PHE A 758 -9.979 6.074 9.812 1.00 25.00 C ATOM 275 C PHE A 758 -11.442 6.435 9.799 1.00 25.00 C ATOM 276 O PHE A 758 -11.811 7.547 9.434 1.00 25.00 O ATOM 277 CB PHE A 758 -9.397 6.347 8.434 1.00 25.00 C ATOM 278 CG PHE A 758 -8.232 7.285 8.458 1.00 25.00 C ATOM 279 CD1 PHE A 758 -8.436 8.677 8.386 1.00 25.00 C ATOM 280 CD2 PHE A 758 -6.918 6.790 8.545 1.00 25.00 C ATOM 281 CE1 PHE A 758 -7.341 9.572 8.401 1.00 25.00 C ATOM 282 CE2 PHE A 758 -5.815 7.671 8.567 1.00 25.00 C ATOM 283 CZ PHE A 758 -6.027 9.068 8.487 1.00 25.00 C ATOM 0 H PHE A 758 -9.948 4.006 9.429 1.00 25.00 H new ATOM 0 HA PHE A 758 -9.471 6.682 10.560 1.00 25.00 H new ATOM 0 HB2 PHE A 758 -9.086 5.404 7.986 1.00 25.00 H new ATOM 0 HB3 PHE A 758 -10.176 6.762 7.794 1.00 25.00 H new ATOM 0 HD1 PHE A 758 -9.441 9.066 8.318 1.00 25.00 H new ATOM 0 HD2 PHE A 758 -6.751 5.724 8.596 1.00 25.00 H new ATOM 0 HE1 PHE A 758 -7.511 10.637 8.347 1.00 25.00 H new ATOM 0 HE2 PHE A 758 -4.811 7.280 8.645 1.00 25.00 H new ATOM 0 HZ PHE A 758 -5.186 9.745 8.492 1.00 25.00 H new ATOM 293 N ASP A 759 -12.272 5.472 10.174 1.00 25.00 N ATOM 294 CA ASP A 759 -13.711 5.671 10.226 1.00 25.00 C ATOM 295 C ASP A 759 -14.107 6.839 11.097 1.00 25.00 C ATOM 296 O ASP A 759 -14.072 6.782 12.319 1.00 25.00 O ATOM 297 CB ASP A 759 -14.415 4.405 10.634 1.00 25.00 C ATOM 298 CG ASP A 759 -15.857 4.385 10.176 1.00 25.00 C ATOM 299 OD1 ASP A 759 -16.437 5.464 9.914 1.00 50.00 O ATOM 300 OD2 ASP A 759 -16.427 3.300 10.062 1.00 50.00 O ATOM 0 H ASP A 759 -11.969 4.538 10.449 1.00 25.00 H new ATOM 0 HA ASP A 759 -14.034 5.925 9.216 1.00 25.00 H new ATOM 0 HB2 ASP A 759 -13.890 3.547 10.215 1.00 25.00 H new ATOM 0 HB3 ASP A 759 -14.378 4.303 11.719 1.00 25.00 H new ATOM 305 N ARG A 760 -14.475 7.908 10.402 1.00 25.00 N ATOM 306 CA ARG A 760 -14.788 9.201 11.011 1.00 25.00 C ATOM 307 C ARG A 760 -15.866 9.112 12.079 1.00 25.00 C ATOM 308 O ARG A 760 -15.864 9.887 13.030 1.00 25.00 O ATOM 309 CB ARG A 760 -15.264 10.130 9.908 1.00 25.00 C ATOM 310 CG ARG A 760 -14.930 11.551 10.047 1.00 25.00 C ATOM 311 CD ARG A 760 -15.687 12.165 8.921 1.00 25.00 C ATOM 312 NE ARG A 760 -15.259 13.528 8.566 1.00 25.00 N ATOM 313 CZ ARG A 760 -15.586 14.640 9.211 1.00 25.00 C ATOM 314 NH1 ARG A 760 -16.330 14.638 10.292 1.00 25.00 N ATOM 315 NH2 ARG A 760 -15.155 15.776 8.751 1.00 25.00 N ATOM 0 H ARG A 760 -14.567 7.905 9.386 1.00 25.00 H new ATOM 0 HA ARG A 760 -13.887 9.569 11.501 1.00 25.00 H new ATOM 0 HB2 ARG A 760 -14.851 9.775 8.964 1.00 25.00 H new ATOM 0 HB3 ARG A 760 -16.348 10.042 9.835 1.00 25.00 H new ATOM 0 HG2 ARG A 760 -15.242 11.950 11.012 1.00 25.00 H new ATOM 0 HG3 ARG A 760 -13.858 11.727 9.961 1.00 25.00 H new ATOM 0 HD2 ARG A 760 -15.588 11.527 8.043 1.00 25.00 H new ATOM 0 HD3 ARG A 760 -16.745 12.187 9.181 1.00 25.00 H new ATOM 0 HE ARG A 760 -14.656 13.626 7.749 1.00 25.00 H new ATOM 0 HH11 ARG A 760 -16.681 13.757 10.668 1.00 25.00 H new ATOM 0 HH12 ARG A 760 -16.557 15.517 10.756 1.00 25.00 H new ATOM 0 HH21 ARG A 760 -14.578 15.800 7.910 1.00 25.00 H new ATOM 0 HH22 ARG A 760 -15.394 16.644 9.230 1.00 25.00 H new ATOM 329 N ASP A 761 -16.797 8.181 11.903 1.00 25.00 N ATOM 330 CA ASP A 761 -17.897 8.000 12.846 1.00 25.00 C ATOM 331 C ASP A 761 -17.891 6.583 13.439 1.00 25.00 C ATOM 332 O ASP A 761 -18.734 6.246 14.271 1.00 25.00 O ATOM 333 CB ASP A 761 -19.223 8.294 12.145 1.00 25.00 C ATOM 334 CG ASP A 761 -19.378 7.510 10.878 1.00 25.00 C ATOM 335 OD1 ASP A 761 -19.054 6.326 10.893 1.00 50.00 O ATOM 336 OD2 ASP A 761 -19.784 8.051 9.834 1.00 50.00 O ATOM 0 H ASP A 761 -16.812 7.537 11.112 1.00 25.00 H new ATOM 0 HA ASP A 761 -17.770 8.698 13.673 1.00 25.00 H new ATOM 0 HB2 ASP A 761 -20.048 8.060 12.818 1.00 25.00 H new ATOM 0 HB3 ASP A 761 -19.286 9.359 11.922 1.00 25.00 H new ATOM 341 N HIS A 762 -16.943 5.764 12.984 1.00 25.00 N ATOM 342 CA HIS A 762 -16.807 4.362 13.424 1.00 25.00 C ATOM 343 C HIS A 762 -18.029 3.458 13.123 1.00 25.00 C ATOM 344 O HIS A 762 -18.341 2.537 13.876 1.00 25.00 O ATOM 345 CB HIS A 762 -16.413 4.301 14.901 1.00 25.00 C ATOM 346 CG HIS A 762 -15.507 3.157 15.233 1.00 25.00 C ATOM 347 ND1 HIS A 762 -14.143 3.172 15.062 1.00 25.00 N ATOM 348 CD2 HIS A 762 -15.785 1.923 15.739 1.00 25.00 C ATOM 349 CE1 HIS A 762 -13.660 1.998 15.455 1.00 25.00 C ATOM 350 NE2 HIS A 762 -14.617 1.194 15.877 1.00 25.00 N ATOM 0 H HIS A 762 -16.243 6.048 12.299 1.00 25.00 H new ATOM 0 HA HIS A 762 -16.006 3.942 12.816 1.00 25.00 H new ATOM 0 HB2 HIS A 762 -15.922 5.234 15.176 1.00 25.00 H new ATOM 0 HB3 HIS A 762 -17.316 4.226 15.506 1.00 25.00 H new ATOM 0 HD2 HIS A 762 -16.772 1.566 15.995 1.00 25.00 H new ATOM 0 HE1 HIS A 762 -12.613 1.735 15.432 1.00 25.00 H new ATOM 0 HE2 HIS A 762 -14.518 0.242 16.229 1.00 25.00 H new ATOM 358 N SER A 763 -18.702 3.718 12.002 1.00 25.00 N ATOM 359 CA SER A 763 -19.838 2.921 11.533 1.00 25.00 C ATOM 360 C SER A 763 -19.422 1.579 10.987 1.00 25.00 C ATOM 361 O SER A 763 -20.258 0.713 10.741 1.00 25.00 O ATOM 362 CB SER A 763 -20.585 3.716 10.448 1.00 25.00 C ATOM 363 OG SER A 763 -19.705 4.052 9.349 1.00 25.00 O ATOM 0 H SER A 763 -18.471 4.497 11.386 1.00 25.00 H new ATOM 0 HA SER A 763 -20.486 2.726 12.388 1.00 25.00 H new ATOM 0 HB2 SER A 763 -21.426 3.130 10.078 1.00 25.00 H new ATOM 0 HB3 SER A 763 -20.997 4.628 10.880 1.00 25.00 H new ATOM 0 HG SER A 763 -19.244 4.894 9.545 1.00 25.00 H new ATOM 369 N GLY A 764 -18.140 1.344 10.763 1.00 25.00 N ATOM 370 CA GLY A 764 -17.685 0.036 10.259 1.00 25.00 C ATOM 371 C GLY A 764 -17.727 0.160 8.770 1.00 25.00 C ATOM 372 O GLY A 764 -17.693 -0.819 8.085 1.00 25.00 O ATOM 0 H GLY A 764 -17.396 2.024 10.916 1.00 25.00 H new ATOM 0 HA2 GLY A 764 -16.678 -0.193 10.608 1.00 25.00 H new ATOM 0 HA3 GLY A 764 -18.333 -0.768 10.607 1.00 25.00 H new ATOM 376 N THR A 765 -17.781 1.389 8.300 1.00 25.00 N ATOM 377 CA THR A 765 -17.805 1.684 6.882 1.00 25.00 C ATOM 378 C THR A 765 -17.331 3.115 6.667 1.00 25.00 C ATOM 379 O THR A 765 -17.737 4.036 7.411 1.00 25.00 O ATOM 380 CB THR A 765 -19.218 1.626 6.337 1.00 25.00 C ATOM 381 OG1 THR A 765 -20.130 2.093 7.313 1.00 25.00 O ATOM 382 CG2 THR A 765 -19.637 0.230 5.914 1.00 25.00 C ATOM 0 H THR A 765 -17.810 2.217 8.895 1.00 25.00 H new ATOM 0 HA THR A 765 -17.171 0.952 6.381 1.00 25.00 H new ATOM 0 HB THR A 765 -19.232 2.260 5.451 1.00 25.00 H new ATOM 0 HG1 THR A 765 -19.719 2.822 7.823 1.00 25.00 H new ATOM 0 HG21 THR A 765 -20.658 0.256 5.533 1.00 25.00 H new ATOM 0 HG22 THR A 765 -18.967 -0.130 5.133 1.00 25.00 H new ATOM 0 HG23 THR A 765 -19.587 -0.441 6.772 1.00 25.00 H new ATOM 390 N LEU A 766 -16.510 3.353 5.666 1.00 25.00 N ATOM 391 CA LEU A 766 -15.996 4.695 5.409 1.00 25.00 C ATOM 392 C LEU A 766 -16.854 5.325 4.315 1.00 25.00 C ATOM 393 O LEU A 766 -17.023 4.762 3.266 1.00 25.00 O ATOM 394 CB LEU A 766 -14.512 4.644 4.996 1.00 25.00 C ATOM 395 CG LEU A 766 -13.397 4.670 6.073 1.00 25.00 C ATOM 396 CD1 LEU A 766 -13.477 5.880 6.812 1.00 25.00 C ATOM 397 CD2 LEU A 766 -13.430 3.536 7.041 1.00 25.00 C ATOM 0 H LEU A 766 -16.181 2.641 5.014 1.00 25.00 H new ATOM 0 HA LEU A 766 -16.050 5.299 6.315 1.00 25.00 H new ATOM 0 HB2 LEU A 766 -14.372 3.736 4.409 1.00 25.00 H new ATOM 0 HB3 LEU A 766 -14.334 5.487 4.328 1.00 25.00 H new ATOM 0 HG LEU A 766 -12.463 4.582 5.517 1.00 25.00 H new ATOM 0 HD11 LEU A 766 -12.693 5.897 7.569 1.00 25.00 H new ATOM 0 HD12 LEU A 766 -13.349 6.727 6.138 1.00 25.00 H new ATOM 0 HD13 LEU A 766 -14.451 5.946 7.297 1.00 25.00 H new ATOM 0 HD21 LEU A 766 -12.612 3.642 7.754 1.00 25.00 H new ATOM 0 HD22 LEU A 766 -14.380 3.541 7.575 1.00 25.00 H new ATOM 0 HD23 LEU A 766 -13.322 2.595 6.502 1.00 25.00 H new ATOM 409 N GLY A 767 -17.418 6.490 4.581 1.00 25.00 N ATOM 410 CA GLY A 767 -18.256 7.180 3.613 1.00 25.00 C ATOM 411 C GLY A 767 -17.381 7.948 2.657 1.00 25.00 C ATOM 412 O GLY A 767 -16.208 7.714 2.646 1.00 25.00 O ATOM 0 H GLY A 767 -17.310 6.983 5.468 1.00 25.00 H new ATOM 0 HA2 GLY A 767 -18.868 6.462 3.067 1.00 25.00 H new ATOM 0 HA3 GLY A 767 -18.939 7.858 4.124 1.00 25.00 H new ATOM 416 N PRO A 768 -17.897 8.873 1.854 1.00 25.00 N ATOM 417 CA PRO A 768 -17.055 9.548 0.857 1.00 25.00 C ATOM 418 C PRO A 768 -15.887 10.362 1.436 1.00 25.00 C ATOM 419 O PRO A 768 -14.727 10.084 1.139 1.00 25.00 O ATOM 420 CB PRO A 768 -18.058 10.441 0.118 1.00 25.00 C ATOM 421 CG PRO A 768 -19.170 10.635 1.090 1.00 25.00 C ATOM 422 CD PRO A 768 -19.287 9.340 1.809 1.00 25.00 C ATOM 0 HA PRO A 768 -16.539 8.827 0.224 1.00 25.00 H new ATOM 0 HB2 PRO A 768 -17.608 11.392 -0.166 1.00 25.00 H new ATOM 0 HB3 PRO A 768 -18.410 9.968 -0.799 1.00 25.00 H new ATOM 0 HG2 PRO A 768 -18.953 11.450 1.780 1.00 25.00 H new ATOM 0 HG3 PRO A 768 -20.100 10.888 0.580 1.00 25.00 H new ATOM 0 HD2 PRO A 768 -19.705 9.467 2.808 1.00 25.00 H new ATOM 0 HD3 PRO A 768 -19.933 8.639 1.280 1.00 25.00 H new ATOM 430 N GLU A 769 -16.182 11.354 2.267 1.00 25.00 N ATOM 431 CA GLU A 769 -15.149 12.222 2.850 1.00 25.00 C ATOM 432 C GLU A 769 -14.299 11.430 3.845 1.00 25.00 C ATOM 433 O GLU A 769 -13.203 11.816 4.223 1.00 25.00 O ATOM 434 CB GLU A 769 -15.828 13.393 3.569 1.00 25.00 C ATOM 435 CG GLU A 769 -14.884 14.519 4.001 1.00 25.00 C ATOM 436 CD GLU A 769 -15.029 14.852 5.480 1.00 25.00 C ATOM 437 OE1 GLU A 769 -16.147 15.200 5.903 1.00 25.00 O ATOM 438 OE2 GLU A 769 -14.030 14.759 6.233 1.00 25.00 O ATOM 0 H GLU A 769 -17.132 11.584 2.558 1.00 25.00 H new ATOM 0 HA GLU A 769 -14.502 12.599 2.058 1.00 25.00 H new ATOM 0 HB2 GLU A 769 -16.591 13.810 2.912 1.00 25.00 H new ATOM 0 HB3 GLU A 769 -16.341 13.010 4.451 1.00 25.00 H new ATOM 0 HG2 GLU A 769 -13.854 14.227 3.795 1.00 25.00 H new ATOM 0 HG3 GLU A 769 -15.088 15.410 3.407 1.00 25.00 H new ATOM 445 N GLU A 770 -14.829 10.296 4.255 1.00 25.00 N ATOM 446 CA GLU A 770 -14.127 9.453 5.213 1.00 25.00 C ATOM 447 C GLU A 770 -13.155 8.517 4.456 1.00 25.00 C ATOM 448 O GLU A 770 -11.988 8.385 4.821 1.00 25.00 O ATOM 449 CB GLU A 770 -15.097 8.610 6.046 1.00 25.00 C ATOM 450 CG GLU A 770 -16.417 9.213 6.493 1.00 25.00 C ATOM 451 CD GLU A 770 -17.193 8.185 7.344 1.00 25.00 C ATOM 452 OE1 GLU A 770 -16.714 7.806 8.406 1.00 50.00 O ATOM 453 OE2 GLU A 770 -18.262 7.696 6.938 1.00 50.00 O ATOM 0 H GLU A 770 -15.732 9.936 3.947 1.00 25.00 H new ATOM 0 HA GLU A 770 -13.577 10.103 5.893 1.00 25.00 H new ATOM 0 HB2 GLU A 770 -15.326 7.712 5.472 1.00 25.00 H new ATOM 0 HB3 GLU A 770 -14.565 8.289 6.941 1.00 25.00 H new ATOM 0 HG2 GLU A 770 -16.237 10.118 7.073 1.00 25.00 H new ATOM 0 HG3 GLU A 770 -17.009 9.503 5.625 1.00 25.00 H new ATOM 460 N PHE A 771 -13.645 7.872 3.405 1.00 25.00 N ATOM 461 CA PHE A 771 -12.863 6.936 2.587 1.00 25.00 C ATOM 462 C PHE A 771 -11.643 7.583 2.003 1.00 25.00 C ATOM 463 O PHE A 771 -10.560 7.001 1.995 1.00 25.00 O ATOM 464 CB PHE A 771 -13.773 6.382 1.474 1.00 25.00 C ATOM 465 CG PHE A 771 -13.072 5.517 0.454 1.00 25.00 C ATOM 466 CD1 PHE A 771 -12.296 4.443 0.895 1.00 25.00 C ATOM 467 CD2 PHE A 771 -13.207 5.737 -0.924 1.00 25.00 C ATOM 468 CE1 PHE A 771 -11.694 3.551 0.008 1.00 25.00 C ATOM 469 CE2 PHE A 771 -12.576 4.871 -1.867 1.00 25.00 C ATOM 470 CZ PHE A 771 -11.827 3.759 -1.406 1.00 25.00 C ATOM 0 H PHE A 771 -14.608 7.981 3.088 1.00 25.00 H new ATOM 0 HA PHE A 771 -12.509 6.124 3.222 1.00 25.00 H new ATOM 0 HB2 PHE A 771 -14.573 5.801 1.934 1.00 25.00 H new ATOM 0 HB3 PHE A 771 -14.243 7.219 0.958 1.00 25.00 H new ATOM 0 HD1 PHE A 771 -12.158 4.299 1.956 1.00 25.00 H new ATOM 0 HD2 PHE A 771 -13.795 6.571 -1.276 1.00 25.00 H new ATOM 0 HE1 PHE A 771 -11.131 2.709 0.383 1.00 25.00 H new ATOM 0 HE2 PHE A 771 -12.669 5.062 -2.926 1.00 25.00 H new ATOM 0 HZ PHE A 771 -11.364 3.080 -2.107 1.00 25.00 H new ATOM 480 N LYS A 772 -11.807 8.808 1.539 1.00 25.00 N ATOM 481 CA LYS A 772 -10.709 9.539 0.953 1.00 25.00 C ATOM 482 C LYS A 772 -9.631 9.819 1.995 1.00 25.00 C ATOM 483 O LYS A 772 -8.498 10.047 1.635 1.00 25.00 O ATOM 484 CB LYS A 772 -11.231 10.813 0.279 1.00 25.00 C ATOM 485 CG LYS A 772 -11.869 11.823 1.221 1.00 25.00 C ATOM 486 CD LYS A 772 -10.891 12.817 1.853 1.00 25.00 C ATOM 487 CE LYS A 772 -10.165 13.676 0.834 1.00 25.00 C ATOM 488 NZ LYS A 772 -9.198 14.610 1.503 1.00 25.00 N ATOM 0 H LYS A 772 -12.692 9.314 1.559 1.00 25.00 H new ATOM 0 HA LYS A 772 -10.239 8.933 0.179 1.00 25.00 H new ATOM 0 HB2 LYS A 772 -10.404 11.296 -0.241 1.00 25.00 H new ATOM 0 HB3 LYS A 772 -11.963 10.532 -0.478 1.00 25.00 H new ATOM 0 HG2 LYS A 772 -12.629 12.380 0.673 1.00 25.00 H new ATOM 0 HG3 LYS A 772 -12.382 11.283 2.017 1.00 25.00 H new ATOM 0 HD2 LYS A 772 -11.435 13.464 2.541 1.00 25.00 H new ATOM 0 HD3 LYS A 772 -10.157 12.268 2.444 1.00 25.00 H new ATOM 0 HE2 LYS A 772 -9.631 13.037 0.131 1.00 25.00 H new ATOM 0 HE3 LYS A 772 -10.889 14.250 0.256 1.00 25.00 H new ATOM 0 HZ1 LYS A 772 -9.012 15.422 0.880 1.00 25.00 H new ATOM 0 HZ2 LYS A 772 -9.605 14.947 2.399 1.00 25.00 H new ATOM 0 HZ3 LYS A 772 -8.307 14.109 1.694 1.00 25.00 H new ATOM 502 N ALA A 773 -9.989 9.830 3.278 1.00 25.00 N ATOM 503 CA ALA A 773 -9.030 10.145 4.335 1.00 25.00 C ATOM 504 C ALA A 773 -8.281 8.875 4.730 1.00 25.00 C ATOM 505 O ALA A 773 -7.098 8.906 5.041 1.00 25.00 O ATOM 506 CB ALA A 773 -9.751 10.761 5.547 1.00 25.00 C ATOM 0 H ALA A 773 -10.932 9.625 3.610 1.00 25.00 H new ATOM 0 HA ALA A 773 -8.312 10.878 3.969 1.00 25.00 H new ATOM 0 HB1 ALA A 773 -9.023 10.990 6.326 1.00 25.00 H new ATOM 0 HB2 ALA A 773 -10.257 11.677 5.242 1.00 25.00 H new ATOM 0 HB3 ALA A 773 -10.484 10.053 5.933 1.00 25.00 H new ATOM 512 N CYS A 774 -8.989 7.757 4.698 1.00 25.00 N ATOM 513 CA CYS A 774 -8.391 6.459 4.998 1.00 25.00 C ATOM 514 C CYS A 774 -7.295 6.182 3.987 1.00 25.00 C ATOM 515 O CYS A 774 -6.188 5.790 4.321 1.00 25.00 O ATOM 516 CB CYS A 774 -9.481 5.378 4.909 1.00 25.00 C ATOM 517 SG CYS A 774 -8.929 3.716 5.323 1.00 25.00 S ATOM 0 H CYS A 774 -9.982 7.719 4.467 1.00 25.00 H new ATOM 0 HA CYS A 774 -7.964 6.456 6.001 1.00 25.00 H new ATOM 0 HB2 CYS A 774 -10.299 5.651 5.576 1.00 25.00 H new ATOM 0 HB3 CYS A 774 -9.884 5.370 3.896 1.00 25.00 H new ATOM 0 HG CYS A 774 -9.926 2.889 5.217 1.00 25.00 H new ATOM 523 N LEU A 775 -7.641 6.424 2.737 1.00 25.00 N ATOM 524 CA LEU A 775 -6.777 6.188 1.592 1.00 25.00 C ATOM 525 C LEU A 775 -5.464 6.994 1.542 1.00 25.00 C ATOM 526 O LEU A 775 -4.536 6.627 0.828 1.00 25.00 O ATOM 527 CB LEU A 775 -7.586 6.505 0.340 1.00 25.00 C ATOM 528 CG LEU A 775 -8.431 5.365 -0.285 1.00 25.00 C ATOM 529 CD1 LEU A 775 -9.187 5.988 -1.455 1.00 25.00 C ATOM 530 CD2 LEU A 775 -7.548 4.238 -0.805 1.00 25.00 C ATOM 0 H LEU A 775 -8.554 6.800 2.481 1.00 25.00 H new ATOM 0 HA LEU A 775 -6.459 5.148 1.669 1.00 25.00 H new ATOM 0 HB2 LEU A 775 -8.259 7.329 0.576 1.00 25.00 H new ATOM 0 HB3 LEU A 775 -6.895 6.866 -0.422 1.00 25.00 H new ATOM 0 HG LEU A 775 -9.098 4.937 0.463 1.00 25.00 H new ATOM 0 HD11 LEU A 775 -9.802 5.228 -1.936 1.00 25.00 H new ATOM 0 HD12 LEU A 775 -9.824 6.793 -1.089 1.00 25.00 H new ATOM 0 HD13 LEU A 775 -8.475 6.389 -2.176 1.00 25.00 H new ATOM 0 HD21 LEU A 775 -8.173 3.456 -1.236 1.00 25.00 H new ATOM 0 HD22 LEU A 775 -6.874 4.627 -1.569 1.00 25.00 H new ATOM 0 HD23 LEU A 775 -6.964 3.824 0.017 1.00 25.00 H new ATOM 542 N ILE A 776 -5.380 8.083 2.292 1.00 25.00 N ATOM 543 CA ILE A 776 -4.185 8.934 2.313 1.00 25.00 C ATOM 544 C ILE A 776 -3.025 8.115 2.841 1.00 25.00 C ATOM 545 O ILE A 776 -1.905 8.193 2.345 1.00 25.00 O ATOM 546 CB ILE A 776 -4.363 10.166 3.259 1.00 25.00 C ATOM 547 CG1 ILE A 776 -5.608 10.969 2.849 1.00 25.00 C ATOM 548 CG2 ILE A 776 -3.119 11.081 3.203 1.00 25.00 C ATOM 549 CD1 ILE A 776 -5.933 12.159 3.743 1.00 25.00 C ATOM 0 H ILE A 776 -6.131 8.406 2.902 1.00 25.00 H new ATOM 0 HA ILE A 776 -4.009 9.293 1.299 1.00 25.00 H new ATOM 0 HB ILE A 776 -4.485 9.799 4.278 1.00 25.00 H new ATOM 0 HG12 ILE A 776 -5.470 11.328 1.829 1.00 25.00 H new ATOM 0 HG13 ILE A 776 -6.467 10.298 2.838 1.00 25.00 H new ATOM 0 HG21 ILE A 776 -3.263 11.932 3.868 1.00 25.00 H new ATOM 0 HG22 ILE A 776 -2.240 10.519 3.518 1.00 25.00 H new ATOM 0 HG23 ILE A 776 -2.975 11.438 2.183 1.00 25.00 H new ATOM 0 HD11 ILE A 776 -6.827 12.660 3.371 1.00 25.00 H new ATOM 0 HD12 ILE A 776 -6.108 11.812 4.761 1.00 25.00 H new ATOM 0 HD13 ILE A 776 -5.097 12.858 3.737 1.00 25.00 H new ATOM 561 N SER A 777 -3.318 7.317 3.858 1.00 25.00 N ATOM 562 CA SER A 777 -2.296 6.528 4.534 1.00 25.00 C ATOM 563 C SER A 777 -1.925 5.301 3.730 1.00 25.00 C ATOM 564 O SER A 777 -1.017 4.570 4.096 1.00 25.00 O ATOM 565 CB SER A 777 -2.808 6.097 5.903 1.00 25.00 C ATOM 566 OG SER A 777 -3.187 7.231 6.667 1.00 25.00 O ATOM 0 H SER A 777 -4.258 7.198 4.235 1.00 25.00 H new ATOM 0 HA SER A 777 -1.406 7.148 4.643 1.00 25.00 H new ATOM 0 HB2 SER A 777 -3.660 5.428 5.786 1.00 25.00 H new ATOM 0 HB3 SER A 777 -2.034 5.538 6.429 1.00 25.00 H new ATOM 0 HG SER A 777 -4.096 7.105 7.010 1.00 25.00 H new ATOM 572 N LEU A 778 -2.648 5.079 2.641 1.00 25.00 N ATOM 573 CA LEU A 778 -2.423 3.924 1.783 1.00 25.00 C ATOM 574 C LEU A 778 -1.774 4.345 0.468 1.00 25.00 C ATOM 575 O LEU A 778 -1.397 3.499 -0.319 1.00 25.00 O ATOM 576 CB LEU A 778 -3.741 3.190 1.504 1.00 25.00 C ATOM 577 CG LEU A 778 -4.260 2.214 2.580 1.00 25.00 C ATOM 578 CD1 LEU A 778 -3.285 1.074 2.819 1.00 25.00 C ATOM 579 CD2 LEU A 778 -4.586 2.877 3.920 1.00 25.00 C ATOM 0 H LEU A 778 -3.403 5.690 2.329 1.00 25.00 H new ATOM 0 HA LEU A 778 -1.748 3.246 2.305 1.00 25.00 H new ATOM 0 HB2 LEU A 778 -4.513 3.940 1.332 1.00 25.00 H new ATOM 0 HB3 LEU A 778 -3.624 2.633 0.574 1.00 25.00 H new ATOM 0 HG LEU A 778 -5.194 1.829 2.171 1.00 25.00 H new ATOM 0 HD11 LEU A 778 -3.685 0.407 3.583 1.00 25.00 H new ATOM 0 HD12 LEU A 778 -3.141 0.518 1.892 1.00 25.00 H new ATOM 0 HD13 LEU A 778 -2.329 1.477 3.153 1.00 25.00 H new ATOM 0 HD21 LEU A 778 -4.944 2.123 4.621 1.00 25.00 H new ATOM 0 HD22 LEU A 778 -3.688 3.348 4.321 1.00 25.00 H new ATOM 0 HD23 LEU A 778 -5.358 3.633 3.774 1.00 25.00 H new ATOM 591 N GLY A 779 -1.632 5.645 0.228 1.00 25.00 N ATOM 592 CA GLY A 779 -0.929 6.061 -0.977 1.00 25.00 C ATOM 593 C GLY A 779 -1.819 6.058 -2.203 1.00 25.00 C ATOM 594 O GLY A 779 -1.506 5.486 -3.244 1.00 25.00 O ATOM 0 H GLY A 779 -1.978 6.398 0.823 1.00 25.00 H new ATOM 0 HA2 GLY A 779 -0.524 7.062 -0.829 1.00 25.00 H new ATOM 0 HA3 GLY A 779 -0.082 5.396 -1.146 1.00 25.00 H new ATOM 598 N TYR A 780 -2.962 6.708 -2.063 1.00 25.00 N ATOM 599 CA TYR A 780 -3.950 6.803 -3.136 1.00 25.00 C ATOM 600 C TYR A 780 -3.544 7.598 -4.389 1.00 25.00 C ATOM 601 O TYR A 780 -2.604 8.380 -4.383 1.00 25.00 O ATOM 602 CB TYR A 780 -5.263 7.351 -2.577 1.00 25.00 C ATOM 603 CG TYR A 780 -5.219 8.733 -1.937 1.00 25.00 C ATOM 604 CD1 TYR A 780 -4.018 9.462 -1.810 1.00 25.00 C ATOM 605 CD2 TYR A 780 -6.401 9.317 -1.450 1.00 25.00 C ATOM 606 CE1 TYR A 780 -4.003 10.738 -1.227 1.00 25.00 C ATOM 607 CE2 TYR A 780 -6.394 10.596 -0.874 1.00 25.00 C ATOM 608 CZ TYR A 780 -5.193 11.307 -0.775 1.00 25.00 C ATOM 609 OH TYR A 780 -5.180 12.567 -0.231 1.00 25.00 O ATOM 0 H TYR A 780 -3.236 7.186 -1.205 1.00 25.00 H new ATOM 0 HA TYR A 780 -4.052 5.779 -3.496 1.00 25.00 H new ATOM 0 HB2 TYR A 780 -5.992 7.376 -3.387 1.00 25.00 H new ATOM 0 HB3 TYR A 780 -5.636 6.645 -1.834 1.00 25.00 H new ATOM 0 HD1 TYR A 780 -3.095 9.031 -2.168 1.00 25.00 H new ATOM 0 HD2 TYR A 780 -7.331 8.772 -1.520 1.00 25.00 H new ATOM 0 HE1 TYR A 780 -3.073 11.278 -1.129 1.00 25.00 H new ATOM 0 HE2 TYR A 780 -7.313 11.030 -0.508 1.00 25.00 H new ATOM 0 HH TYR A 780 -6.089 12.818 0.034 1.00 25.00 H new ATOM 619 N ASP A 781 -4.287 7.382 -5.466 1.00 25.00 N ATOM 620 CA ASP A 781 -4.007 7.973 -6.778 1.00 25.00 C ATOM 621 C ASP A 781 -4.882 9.198 -7.013 1.00 25.00 C ATOM 622 O ASP A 781 -5.023 9.685 -8.135 1.00 25.00 O ATOM 623 CB ASP A 781 -4.210 6.924 -7.896 1.00 25.00 C ATOM 624 CG ASP A 781 -5.663 6.417 -8.012 1.00 25.00 C ATOM 625 OD1 ASP A 781 -6.454 6.557 -7.054 1.00 25.00 O ATOM 626 OD2 ASP A 781 -6.001 5.843 -9.075 1.00 25.00 O ATOM 0 H ASP A 781 -5.113 6.784 -5.458 1.00 25.00 H new ATOM 0 HA ASP A 781 -2.966 8.295 -6.799 1.00 25.00 H new ATOM 0 HB2 ASP A 781 -3.909 7.358 -8.849 1.00 25.00 H new ATOM 0 HB3 ASP A 781 -3.552 6.075 -7.710 1.00 25.00 H new ATOM 631 N ILE A 782 -5.460 9.695 -5.929 1.00 25.00 N ATOM 632 CA ILE A 782 -6.321 10.863 -5.953 1.00 25.00 C ATOM 633 C ILE A 782 -5.946 11.802 -4.818 1.00 25.00 C ATOM 634 O ILE A 782 -5.110 11.484 -3.991 1.00 25.00 O ATOM 635 CB ILE A 782 -7.801 10.476 -5.821 1.00 25.00 C ATOM 636 CG1 ILE A 782 -8.034 9.668 -4.528 1.00 25.00 C ATOM 637 CG2 ILE A 782 -8.252 9.795 -7.120 1.00 25.00 C ATOM 638 CD1 ILE A 782 -8.334 8.223 -4.713 1.00 25.00 C ATOM 0 H ILE A 782 -5.342 9.292 -4.999 1.00 25.00 H new ATOM 0 HA ILE A 782 -6.181 11.360 -6.913 1.00 25.00 H new ATOM 0 HB ILE A 782 -8.437 11.353 -5.705 1.00 25.00 H new ATOM 0 HG12 ILE A 782 -7.147 9.758 -3.901 1.00 25.00 H new ATOM 0 HG13 ILE A 782 -8.859 10.124 -3.981 1.00 25.00 H new ATOM 0 HG21 ILE A 782 -9.302 9.515 -7.038 1.00 25.00 H new ATOM 0 HG22 ILE A 782 -8.124 10.483 -7.955 1.00 25.00 H new ATOM 0 HG23 ILE A 782 -7.651 8.902 -7.290 1.00 25.00 H new ATOM 0 HD11 ILE A 782 -8.480 7.754 -3.740 1.00 25.00 H new ATOM 0 HD12 ILE A 782 -9.241 8.113 -5.308 1.00 25.00 H new ATOM 0 HD13 ILE A 782 -7.502 7.742 -5.227 1.00 25.00 H new ATOM 650 N GLY A 783 -6.584 12.956 -4.784 1.00 25.00 N ATOM 651 CA GLY A 783 -6.340 13.937 -3.751 1.00 25.00 C ATOM 652 C GLY A 783 -7.497 14.897 -3.849 1.00 25.00 C ATOM 653 O GLY A 783 -8.482 14.569 -4.504 1.00 25.00 O ATOM 0 H GLY A 783 -7.284 13.237 -5.471 1.00 25.00 H new ATOM 0 HA2 GLY A 783 -6.295 13.471 -2.766 1.00 25.00 H new ATOM 0 HA3 GLY A 783 -5.389 14.447 -3.906 1.00 25.00 H new ATOM 657 N ASN A 784 -7.395 16.073 -3.247 1.00 25.00 N ATOM 658 CA ASN A 784 -8.463 17.080 -3.342 1.00 25.00 C ATOM 659 C ASN A 784 -8.252 17.914 -4.613 1.00 25.00 C ATOM 660 O ASN A 784 -8.778 19.014 -4.765 1.00 25.00 O ATOM 661 CB ASN A 784 -8.495 17.972 -2.095 1.00 25.00 C ATOM 662 CG ASN A 784 -9.125 17.285 -0.913 1.00 25.00 C ATOM 663 OD1 ASN A 784 -8.455 16.948 0.057 1.00 25.00 O ATOM 664 ND2 ASN A 784 -10.407 17.062 -0.980 1.00 25.00 N ATOM 0 H ASN A 784 -6.591 16.360 -2.688 1.00 25.00 H new ATOM 0 HA ASN A 784 -9.428 16.576 -3.399 1.00 25.00 H new ATOM 0 HB2 ASN A 784 -7.478 18.270 -1.839 1.00 25.00 H new ATOM 0 HB3 ASN A 784 -9.048 18.884 -2.319 1.00 25.00 H new ATOM 0 HD21 ASN A 784 -10.884 16.593 -0.210 1.00 25.00 H new ATOM 0 HD22 ASN A 784 -10.934 17.356 -1.803 1.00 25.00 H new ATOM 671 N ASP A 785 -7.458 17.362 -5.514 1.00 25.00 N ATOM 672 CA ASP A 785 -7.159 17.964 -6.801 1.00 25.00 C ATOM 673 C ASP A 785 -8.413 17.974 -7.667 1.00 25.00 C ATOM 674 O ASP A 785 -9.277 17.111 -7.523 1.00 25.00 O ATOM 675 CB ASP A 785 -6.086 17.129 -7.496 1.00 25.00 C ATOM 676 CG ASP A 785 -4.816 17.053 -6.691 1.00 25.00 C ATOM 677 OD1 ASP A 785 -4.767 16.238 -5.743 1.00 25.00 O ATOM 678 OD2 ASP A 785 -3.879 17.810 -6.994 1.00 25.00 O ATOM 0 H ASP A 785 -6.994 16.465 -5.368 1.00 25.00 H new ATOM 0 HA ASP A 785 -6.810 18.986 -6.654 1.00 25.00 H new ATOM 0 HB2 ASP A 785 -6.466 16.122 -7.668 1.00 25.00 H new ATOM 0 HB3 ASP A 785 -5.869 17.559 -8.474 1.00 25.00 H new ATOM 683 N PRO A 786 -8.528 18.931 -8.605 1.00 25.00 N ATOM 684 CA PRO A 786 -9.763 18.962 -9.399 1.00 25.00 C ATOM 685 C PRO A 786 -9.934 17.740 -10.296 1.00 25.00 C ATOM 686 O PRO A 786 -11.039 17.419 -10.714 1.00 25.00 O ATOM 687 CB PRO A 786 -9.611 20.249 -10.216 1.00 25.00 C ATOM 688 CG PRO A 786 -8.137 20.428 -10.350 1.00 25.00 C ATOM 689 CD PRO A 786 -7.597 20.001 -9.010 1.00 25.00 C ATOM 0 HA PRO A 786 -10.655 18.943 -8.773 1.00 25.00 H new ATOM 0 HB2 PRO A 786 -10.091 20.161 -11.191 1.00 25.00 H new ATOM 0 HB3 PRO A 786 -10.071 21.098 -9.710 1.00 25.00 H new ATOM 0 HG2 PRO A 786 -7.732 19.817 -11.157 1.00 25.00 H new ATOM 0 HG3 PRO A 786 -7.879 21.463 -10.573 1.00 25.00 H new ATOM 0 HD2 PRO A 786 -6.572 19.638 -9.085 1.00 25.00 H new ATOM 0 HD3 PRO A 786 -7.592 20.824 -8.295 1.00 25.00 H new ATOM 697 N GLN A 787 -8.837 17.052 -10.582 1.00 25.00 N ATOM 698 CA GLN A 787 -8.898 15.829 -11.374 1.00 25.00 C ATOM 699 C GLN A 787 -9.185 14.640 -10.461 1.00 25.00 C ATOM 700 O GLN A 787 -10.041 13.810 -10.750 1.00 25.00 O ATOM 701 CB GLN A 787 -7.572 15.593 -12.104 1.00 25.00 C ATOM 702 CG GLN A 787 -7.167 16.702 -13.019 1.00 25.00 C ATOM 703 CD GLN A 787 -5.942 16.359 -13.712 1.00 25.00 C ATOM 704 OE1 GLN A 787 -5.833 16.205 -14.913 1.00 25.00 O ATOM 705 NE2 GLN A 787 -4.979 16.250 -12.908 1.00 25.00 N ATOM 0 H GLN A 787 -7.899 17.317 -10.280 1.00 25.00 H new ATOM 0 HA GLN A 787 -9.695 15.934 -12.110 1.00 25.00 H new ATOM 0 HB2 GLN A 787 -6.786 15.443 -11.364 1.00 25.00 H new ATOM 0 HB3 GLN A 787 -7.648 14.671 -12.681 1.00 25.00 H new ATOM 0 HG2 GLN A 787 -7.960 16.895 -13.742 1.00 25.00 H new ATOM 0 HG3 GLN A 787 -7.026 17.620 -12.449 1.00 25.00 H new ATOM 0 HE21 GLN A 787 -5.130 16.391 -11.909 1.00 25.00 H new ATOM 0 HE22 GLN A 787 -4.048 16.021 -13.256 1.00 25.00 H new ATOM 714 N GLY A 788 -8.453 14.555 -9.358 1.00 25.00 N ATOM 715 CA GLY A 788 -8.583 13.411 -8.479 1.00 25.00 C ATOM 716 C GLY A 788 -9.885 13.330 -7.722 1.00 25.00 C ATOM 717 O GLY A 788 -10.314 12.247 -7.406 1.00 25.00 O ATOM 0 H GLY A 788 -7.774 15.255 -9.058 1.00 25.00 H new ATOM 0 HA2 GLY A 788 -8.468 12.503 -9.071 1.00 25.00 H new ATOM 0 HA3 GLY A 788 -7.764 13.430 -7.761 1.00 25.00 H new ATOM 721 N GLU A 789 -10.537 14.443 -7.443 1.00 25.00 N ATOM 722 CA GLU A 789 -11.827 14.396 -6.741 1.00 25.00 C ATOM 723 C GLU A 789 -12.880 13.687 -7.598 1.00 25.00 C ATOM 724 O GLU A 789 -13.818 13.076 -7.077 1.00 25.00 O ATOM 725 CB GLU A 789 -12.321 15.809 -6.407 1.00 25.00 C ATOM 726 CG GLU A 789 -11.536 16.494 -5.295 1.00 25.00 C ATOM 727 CD GLU A 789 -12.072 16.195 -3.896 1.00 25.00 C ATOM 728 OE1 GLU A 789 -12.259 15.011 -3.542 1.00 25.00 O ATOM 729 OE2 GLU A 789 -12.297 17.165 -3.135 1.00 25.00 O ATOM 0 H GLU A 789 -10.211 15.380 -7.682 1.00 25.00 H new ATOM 0 HA GLU A 789 -11.678 13.842 -5.814 1.00 25.00 H new ATOM 0 HB2 GLU A 789 -12.268 16.423 -7.306 1.00 25.00 H new ATOM 0 HB3 GLU A 789 -13.371 15.757 -6.118 1.00 25.00 H new ATOM 0 HG2 GLU A 789 -10.494 16.180 -5.351 1.00 25.00 H new ATOM 0 HG3 GLU A 789 -11.554 17.571 -5.459 1.00 25.00 H new ATOM 736 N ALA A 790 -12.728 13.752 -8.917 1.00 25.00 N ATOM 737 CA ALA A 790 -13.702 13.147 -9.812 1.00 25.00 C ATOM 738 C ALA A 790 -13.471 11.644 -9.800 1.00 25.00 C ATOM 739 O ALA A 790 -14.405 10.846 -9.772 1.00 25.00 O ATOM 740 CB ALA A 790 -13.539 13.710 -11.230 1.00 25.00 C ATOM 0 H ALA A 790 -11.947 14.213 -9.384 1.00 25.00 H new ATOM 0 HA ALA A 790 -14.717 13.372 -9.483 1.00 25.00 H new ATOM 0 HB1 ALA A 790 -14.273 13.250 -11.891 1.00 25.00 H new ATOM 0 HB2 ALA A 790 -13.692 14.789 -11.213 1.00 25.00 H new ATOM 0 HB3 ALA A 790 -12.535 13.492 -11.595 1.00 25.00 H new ATOM 746 N GLU A 791 -12.205 11.276 -9.811 1.00 25.00 N ATOM 747 CA GLU A 791 -11.804 9.880 -9.803 1.00 25.00 C ATOM 748 C GLU A 791 -12.096 9.245 -8.464 1.00 25.00 C ATOM 749 O GLU A 791 -12.529 8.108 -8.395 1.00 25.00 O ATOM 750 CB GLU A 791 -10.323 9.789 -10.108 1.00 25.00 C ATOM 751 CG GLU A 791 -10.002 10.288 -11.481 1.00 25.00 C ATOM 752 CD GLU A 791 -10.694 9.441 -12.567 1.00 25.00 C ATOM 753 OE1 GLU A 791 -10.783 8.197 -12.403 1.00 25.00 O ATOM 754 OE2 GLU A 791 -11.164 10.013 -13.571 1.00 25.00 O ATOM 0 H GLU A 791 -11.425 11.934 -9.826 1.00 25.00 H new ATOM 0 HA GLU A 791 -12.372 9.343 -10.563 1.00 25.00 H new ATOM 0 HB2 GLU A 791 -9.765 10.368 -9.372 1.00 25.00 H new ATOM 0 HB3 GLU A 791 -9.996 8.753 -10.013 1.00 25.00 H new ATOM 0 HG2 GLU A 791 -10.316 11.328 -11.574 1.00 25.00 H new ATOM 0 HG3 GLU A 791 -8.923 10.266 -11.634 1.00 25.00 H new ATOM 761 N PHE A 792 -11.880 9.994 -7.398 1.00 25.00 N ATOM 762 CA PHE A 792 -12.189 9.525 -6.057 1.00 25.00 C ATOM 763 C PHE A 792 -13.659 9.136 -6.034 1.00 25.00 C ATOM 764 O PHE A 792 -14.008 8.047 -5.587 1.00 25.00 O ATOM 765 CB PHE A 792 -11.900 10.610 -5.013 1.00 25.00 C ATOM 766 CG PHE A 792 -12.927 10.681 -3.926 1.00 25.00 C ATOM 767 CD1 PHE A 792 -13.076 9.626 -3.003 1.00 25.00 C ATOM 768 CD2 PHE A 792 -13.771 11.802 -3.828 1.00 25.00 C ATOM 769 CE1 PHE A 792 -14.076 9.680 -2.012 1.00 25.00 C ATOM 770 CE2 PHE A 792 -14.768 11.865 -2.841 1.00 25.00 C ATOM 771 CZ PHE A 792 -14.926 10.802 -1.940 1.00 25.00 C ATOM 0 H PHE A 792 -11.489 10.936 -7.434 1.00 25.00 H new ATOM 0 HA PHE A 792 -11.563 8.668 -5.807 1.00 25.00 H new ATOM 0 HB2 PHE A 792 -10.923 10.423 -4.567 1.00 25.00 H new ATOM 0 HB3 PHE A 792 -11.843 11.577 -5.512 1.00 25.00 H new ATOM 0 HD1 PHE A 792 -12.419 8.770 -3.056 1.00 25.00 H new ATOM 0 HD2 PHE A 792 -13.651 12.623 -4.519 1.00 25.00 H new ATOM 0 HE1 PHE A 792 -14.191 8.866 -1.311 1.00 25.00 H new ATOM 0 HE2 PHE A 792 -15.411 12.730 -2.776 1.00 25.00 H new ATOM 0 HZ PHE A 792 -15.701 10.843 -1.189 1.00 25.00 H new ATOM 781 N ALA A 793 -14.524 10.012 -6.529 1.00 25.00 N ATOM 782 CA ALA A 793 -15.950 9.729 -6.535 1.00 25.00 C ATOM 783 C ALA A 793 -16.294 8.569 -7.480 1.00 25.00 C ATOM 784 O ALA A 793 -17.201 7.779 -7.210 1.00 25.00 O ATOM 785 CB ALA A 793 -16.730 10.991 -6.917 1.00 25.00 C ATOM 0 H ALA A 793 -14.265 10.915 -6.927 1.00 25.00 H new ATOM 0 HA ALA A 793 -16.239 9.422 -5.530 1.00 25.00 H new ATOM 0 HB1 ALA A 793 -17.798 10.772 -6.920 1.00 25.00 H new ATOM 0 HB2 ALA A 793 -16.523 11.780 -6.193 1.00 25.00 H new ATOM 0 HB3 ALA A 793 -16.425 11.321 -7.910 1.00 25.00 H new ATOM 791 N ARG A 794 -15.560 8.457 -8.575 1.00 25.00 N ATOM 792 CA ARG A 794 -15.742 7.356 -9.522 1.00 25.00 C ATOM 793 C ARG A 794 -15.422 6.030 -8.830 1.00 25.00 C ATOM 794 O ARG A 794 -16.131 5.045 -9.022 1.00 25.00 O ATOM 795 CB ARG A 794 -14.839 7.587 -10.743 1.00 25.00 C ATOM 796 CG ARG A 794 -14.902 6.514 -11.800 1.00 25.00 C ATOM 797 CD ARG A 794 -14.073 6.927 -13.011 1.00 25.00 C ATOM 798 NE ARG A 794 -13.758 5.756 -13.848 1.00 25.00 N ATOM 799 CZ ARG A 794 -12.556 5.198 -13.965 1.00 25.00 C ATOM 800 NH1 ARG A 794 -11.486 5.668 -13.380 1.00 25.00 N ATOM 801 NH2 ARG A 794 -12.429 4.131 -14.703 1.00 25.00 N ATOM 0 H ARG A 794 -14.827 9.117 -8.836 1.00 25.00 H new ATOM 0 HA ARG A 794 -16.776 7.316 -9.864 1.00 25.00 H new ATOM 0 HB2 ARG A 794 -15.108 8.540 -11.199 1.00 25.00 H new ATOM 0 HB3 ARG A 794 -13.808 7.677 -10.401 1.00 25.00 H new ATOM 0 HG2 ARG A 794 -14.529 5.573 -11.397 1.00 25.00 H new ATOM 0 HG3 ARG A 794 -15.937 6.345 -12.098 1.00 25.00 H new ATOM 0 HD2 ARG A 794 -14.620 7.664 -13.599 1.00 25.00 H new ATOM 0 HD3 ARG A 794 -13.150 7.404 -12.681 1.00 25.00 H new ATOM 0 HE ARG A 794 -14.522 5.340 -14.380 1.00 25.00 H new ATOM 0 HH11 ARG A 794 -11.548 6.504 -12.799 1.00 25.00 H new ATOM 0 HH12 ARG A 794 -10.589 5.199 -13.505 1.00 25.00 H new ATOM 0 HH21 ARG A 794 -13.243 3.739 -15.178 1.00 25.00 H new ATOM 0 HH22 ARG A 794 -11.516 3.688 -14.806 1.00 25.00 H new ATOM 815 N ILE A 795 -14.380 6.005 -8.012 1.00 25.00 N ATOM 816 CA ILE A 795 -14.025 4.808 -7.256 1.00 25.00 C ATOM 817 C ILE A 795 -15.076 4.589 -6.194 1.00 25.00 C ATOM 818 O ILE A 795 -15.510 3.475 -5.994 1.00 25.00 O ATOM 819 CB ILE A 795 -12.666 4.908 -6.516 1.00 25.00 C ATOM 820 CG1 ILE A 795 -11.515 5.149 -7.490 1.00 25.00 C ATOM 821 CG2 ILE A 795 -12.393 3.599 -5.724 1.00 25.00 C ATOM 822 CD1 ILE A 795 -10.429 6.001 -6.882 1.00 25.00 C ATOM 0 H ILE A 795 -13.763 6.801 -7.853 1.00 25.00 H new ATOM 0 HA ILE A 795 -13.956 3.998 -7.982 1.00 25.00 H new ATOM 0 HB ILE A 795 -12.726 5.754 -5.832 1.00 25.00 H new ATOM 0 HG12 ILE A 795 -11.095 4.192 -7.798 1.00 25.00 H new ATOM 0 HG13 ILE A 795 -11.896 5.634 -8.389 1.00 25.00 H new ATOM 0 HG21 ILE A 795 -11.436 3.679 -5.208 1.00 25.00 H new ATOM 0 HG22 ILE A 795 -13.187 3.443 -4.994 1.00 25.00 H new ATOM 0 HG23 ILE A 795 -12.364 2.756 -6.414 1.00 25.00 H new ATOM 0 HD11 ILE A 795 -9.631 6.147 -7.610 1.00 25.00 H new ATOM 0 HD12 ILE A 795 -10.842 6.969 -6.598 1.00 25.00 H new ATOM 0 HD13 ILE A 795 -10.028 5.504 -5.999 1.00 25.00 H new ATOM 834 N MET A 796 -15.494 5.654 -5.522 1.00 25.00 N ATOM 835 CA MET A 796 -16.505 5.574 -4.458 1.00 25.00 C ATOM 836 C MET A 796 -17.787 4.916 -4.973 1.00 25.00 C ATOM 837 O MET A 796 -18.554 4.346 -4.212 1.00 25.00 O ATOM 838 CB MET A 796 -16.785 6.970 -3.887 1.00 25.00 C ATOM 839 CG MET A 796 -16.928 6.999 -2.374 1.00 25.00 C ATOM 840 SD MET A 796 -18.627 7.305 -1.881 1.00 25.00 S ATOM 841 CE MET A 796 -18.997 5.823 -0.975 1.00 25.00 C ATOM 0 H MET A 796 -15.147 6.598 -5.693 1.00 25.00 H new ATOM 0 HA MET A 796 -16.116 4.949 -3.654 1.00 25.00 H new ATOM 0 HB2 MET A 796 -15.976 7.640 -4.179 1.00 25.00 H new ATOM 0 HB3 MET A 796 -17.699 7.359 -4.336 1.00 25.00 H new ATOM 0 HG2 MET A 796 -16.592 6.049 -1.957 1.00 25.00 H new ATOM 0 HG3 MET A 796 -16.283 7.774 -1.961 1.00 25.00 H new ATOM 0 HE1 MET A 796 -20.074 5.750 -0.821 1.00 25.00 H new ATOM 0 HE2 MET A 796 -18.652 4.956 -1.539 1.00 25.00 H new ATOM 0 HE3 MET A 796 -18.493 5.852 -0.009 1.00 25.00 H new ATOM 851 N SER A 797 -17.994 4.977 -6.280 1.00 25.00 N ATOM 852 CA SER A 797 -19.141 4.338 -6.910 1.00 25.00 C ATOM 853 C SER A 797 -18.912 2.839 -7.137 1.00 25.00 C ATOM 854 O SER A 797 -19.883 2.081 -7.196 1.00 25.00 O ATOM 855 CB SER A 797 -19.452 5.010 -8.249 1.00 25.00 C ATOM 856 OG SER A 797 -20.655 4.492 -8.799 1.00 25.00 O ATOM 0 H SER A 797 -17.378 5.466 -6.929 1.00 25.00 H new ATOM 0 HA SER A 797 -19.985 4.453 -6.230 1.00 25.00 H new ATOM 0 HB2 SER A 797 -19.544 6.087 -8.109 1.00 25.00 H new ATOM 0 HB3 SER A 797 -18.628 4.848 -8.944 1.00 25.00 H new ATOM 0 HG SER A 797 -20.840 4.933 -9.654 1.00 25.00 H new ATOM 862 N ILE A 798 -17.659 2.402 -7.276 1.00 25.00 N ATOM 863 CA ILE A 798 -17.372 0.975 -7.505 1.00 25.00 C ATOM 864 C ILE A 798 -17.077 0.212 -6.211 1.00 25.00 C ATOM 865 O ILE A 798 -17.296 -0.989 -6.135 1.00 25.00 O ATOM 866 CB ILE A 798 -16.252 0.730 -8.577 1.00 25.00 C ATOM 867 CG1 ILE A 798 -14.842 1.019 -8.025 1.00 25.00 C ATOM 868 CG2 ILE A 798 -16.548 1.572 -9.847 1.00 25.00 C ATOM 869 CD1 ILE A 798 -13.694 0.571 -8.938 1.00 25.00 C ATOM 0 H ILE A 798 -16.834 3.001 -7.236 1.00 25.00 H new ATOM 0 HA ILE A 798 -18.295 0.568 -7.917 1.00 25.00 H new ATOM 0 HB ILE A 798 -16.264 -0.327 -8.843 1.00 25.00 H new ATOM 0 HG12 ILE A 798 -14.749 2.090 -7.846 1.00 25.00 H new ATOM 0 HG13 ILE A 798 -14.736 0.524 -7.060 1.00 25.00 H new ATOM 0 HG21 ILE A 798 -15.768 1.399 -10.588 1.00 25.00 H new ATOM 0 HG22 ILE A 798 -17.513 1.280 -10.261 1.00 25.00 H new ATOM 0 HG23 ILE A 798 -16.571 2.630 -9.585 1.00 25.00 H new ATOM 0 HD11 ILE A 798 -12.740 0.814 -8.469 1.00 25.00 H new ATOM 0 HD12 ILE A 798 -13.755 -0.505 -9.098 1.00 25.00 H new ATOM 0 HD13 ILE A 798 -13.769 1.085 -9.896 1.00 25.00 H new ATOM 881 N VAL A 799 -16.615 0.914 -5.183 1.00 25.00 N ATOM 882 CA VAL A 799 -16.316 0.302 -3.880 1.00 25.00 C ATOM 883 C VAL A 799 -17.578 0.288 -3.021 1.00 25.00 C ATOM 884 O VAL A 799 -17.542 0.237 -1.791 1.00 25.00 O ATOM 885 CB VAL A 799 -15.139 1.001 -3.152 1.00 25.00 C ATOM 886 CG1 VAL A 799 -13.874 0.857 -3.985 1.00 25.00 C ATOM 887 CG2 VAL A 799 -15.436 2.471 -2.877 1.00 25.00 C ATOM 0 H VAL A 799 -16.436 1.917 -5.221 1.00 25.00 H new ATOM 0 HA VAL A 799 -15.992 -0.724 -4.055 1.00 25.00 H new ATOM 0 HB VAL A 799 -14.998 0.517 -2.185 1.00 25.00 H new ATOM 0 HG11 VAL A 799 -13.045 1.348 -3.475 1.00 25.00 H new ATOM 0 HG12 VAL A 799 -13.644 -0.200 -4.117 1.00 25.00 H new ATOM 0 HG13 VAL A 799 -14.026 1.320 -4.960 1.00 25.00 H new ATOM 0 HG21 VAL A 799 -14.587 2.924 -2.366 1.00 25.00 H new ATOM 0 HG22 VAL A 799 -15.611 2.989 -3.820 1.00 25.00 H new ATOM 0 HG23 VAL A 799 -16.323 2.552 -2.248 1.00 25.00 H new ATOM 897 N ASP A 800 -18.706 0.325 -3.703 1.00 25.00 N ATOM 898 CA ASP A 800 -20.004 0.274 -3.066 1.00 25.00 C ATOM 899 C ASP A 800 -20.834 -0.872 -3.660 1.00 25.00 C ATOM 900 O ASP A 800 -21.905 -0.659 -4.226 1.00 25.00 O ATOM 901 CB ASP A 800 -20.692 1.617 -3.237 1.00 25.00 C ATOM 902 CG ASP A 800 -21.652 1.883 -2.170 1.00 25.00 C ATOM 903 OD1 ASP A 800 -22.402 0.989 -1.726 1.00 25.00 O ATOM 904 OD2 ASP A 800 -21.656 3.022 -1.745 1.00 25.00 O ATOM 0 H ASP A 800 -18.746 0.392 -4.720 1.00 25.00 H new ATOM 0 HA ASP A 800 -19.894 0.078 -1.999 1.00 25.00 H new ATOM 0 HB2 ASP A 800 -19.942 2.408 -3.255 1.00 25.00 H new ATOM 0 HB3 ASP A 800 -21.204 1.641 -4.199 1.00 25.00 H new ATOM 909 N PRO A 801 -20.344 -2.124 -3.548 1.00 25.00 N ATOM 910 CA PRO A 801 -21.091 -3.241 -4.139 1.00 25.00 C ATOM 911 C PRO A 801 -22.394 -3.599 -3.425 1.00 25.00 C ATOM 912 O PRO A 801 -23.065 -4.544 -3.815 1.00 25.00 O ATOM 913 CB PRO A 801 -20.099 -4.403 -4.020 1.00 25.00 C ATOM 914 CG PRO A 801 -19.321 -4.084 -2.800 1.00 25.00 C ATOM 915 CD PRO A 801 -19.100 -2.607 -2.913 1.00 25.00 C ATOM 0 HA PRO A 801 -21.415 -2.994 -5.150 1.00 25.00 H new ATOM 0 HB2 PRO A 801 -20.613 -5.359 -3.927 1.00 25.00 H new ATOM 0 HB3 PRO A 801 -19.456 -4.471 -4.898 1.00 25.00 H new ATOM 0 HG2 PRO A 801 -19.869 -4.341 -1.894 1.00 25.00 H new ATOM 0 HG3 PRO A 801 -18.379 -4.631 -2.768 1.00 25.00 H new ATOM 0 HD2 PRO A 801 -18.942 -2.148 -1.937 1.00 25.00 H new ATOM 0 HD3 PRO A 801 -18.224 -2.377 -3.519 1.00 25.00 H new ATOM 923 N ASN A 802 -22.757 -2.869 -2.374 1.00 25.00 N ATOM 924 CA ASN A 802 -23.966 -3.176 -1.617 1.00 25.00 C ATOM 925 C ASN A 802 -24.940 -2.009 -1.809 1.00 25.00 C ATOM 926 O ASN A 802 -26.067 -2.049 -1.338 1.00 25.00 O ATOM 927 CB ASN A 802 -23.628 -3.349 -0.129 1.00 25.00 C ATOM 928 CG ASN A 802 -23.094 -4.724 0.217 1.00 25.00 C ATOM 929 OD1 ASN A 802 -22.296 -5.283 -0.638 1.00 25.00 O flip ATOM 930 ND2 ASN A 802 -23.396 -5.260 1.263 1.00 25.00 N flip ATOM 0 H ASN A 802 -22.234 -2.064 -2.029 1.00 25.00 H new ATOM 0 HA ASN A 802 -24.413 -4.106 -1.968 1.00 25.00 H new ATOM 0 HB2 ASN A 802 -22.890 -2.600 0.157 1.00 25.00 H new ATOM 0 HB3 ASN A 802 -24.523 -3.157 0.463 1.00 25.00 H new ATOM 0 HD21 ASN A 802 -24.027 -4.791 1.913 1.00 25.00 H new ATOM 0 HD22 ASN A 802 -23.019 -6.180 1.492 1.00 25.00 H new ATOM 937 N ARG A 803 -24.465 -0.974 -2.502 1.00 25.00 N ATOM 938 CA ARG A 803 -25.231 0.249 -2.808 1.00 25.00 C ATOM 939 C ARG A 803 -25.845 0.912 -1.577 1.00 25.00 C ATOM 940 O ARG A 803 -26.970 1.396 -1.610 1.00 25.00 O ATOM 941 CB ARG A 803 -26.283 -0.029 -3.888 1.00 25.00 C ATOM 942 CG ARG A 803 -25.686 -0.582 -5.200 1.00 25.00 C ATOM 943 CD ARG A 803 -24.608 0.340 -5.807 1.00 25.00 C ATOM 944 NE ARG A 803 -25.072 1.722 -6.016 1.00 25.00 N ATOM 945 CZ ARG A 803 -24.281 2.757 -6.286 1.00 25.00 C ATOM 946 NH1 ARG A 803 -22.979 2.640 -6.397 1.00 25.00 N ATOM 947 NH2 ARG A 803 -24.813 3.938 -6.442 1.00 25.00 N ATOM 0 H ARG A 803 -23.517 -0.955 -2.878 1.00 25.00 H new ATOM 0 HA ARG A 803 -24.515 0.974 -3.197 1.00 25.00 H new ATOM 0 HB2 ARG A 803 -27.011 -0.742 -3.500 1.00 25.00 H new ATOM 0 HB3 ARG A 803 -26.823 0.893 -4.104 1.00 25.00 H new ATOM 0 HG2 ARG A 803 -25.252 -1.564 -5.010 1.00 25.00 H new ATOM 0 HG3 ARG A 803 -26.487 -0.723 -5.926 1.00 25.00 H new ATOM 0 HD2 ARG A 803 -23.738 0.352 -5.150 1.00 25.00 H new ATOM 0 HD3 ARG A 803 -24.281 -0.074 -6.761 1.00 25.00 H new ATOM 0 HE ARG A 803 -26.074 1.899 -5.949 1.00 25.00 H new ATOM 0 HH11 ARG A 803 -22.537 1.729 -6.275 1.00 25.00 H new ATOM 0 HH12 ARG A 803 -22.409 3.460 -6.605 1.00 25.00 H new ATOM 0 HH21 ARG A 803 -25.822 4.058 -6.357 1.00 25.00 H new ATOM 0 HH22 ARG A 803 -24.220 4.741 -6.649 1.00 25.00 H new ATOM 961 N LEU A 804 -25.068 0.938 -0.506 1.00 25.00 N ATOM 962 CA LEU A 804 -25.467 1.558 0.762 1.00 25.00 C ATOM 963 C LEU A 804 -24.875 2.962 0.863 1.00 25.00 C ATOM 964 O LEU A 804 -25.247 3.745 1.732 1.00 25.00 O ATOM 965 CB LEU A 804 -25.035 0.700 1.973 1.00 25.00 C ATOM 966 CG LEU A 804 -24.033 -0.438 1.724 1.00 25.00 C ATOM 967 CD1 LEU A 804 -22.623 0.031 1.391 1.00 25.00 C ATOM 968 CD2 LEU A 804 -23.946 -1.371 2.914 1.00 25.00 C ATOM 0 H LEU A 804 -24.134 0.528 -0.485 1.00 25.00 H new ATOM 0 HA LEU A 804 -26.555 1.626 0.779 1.00 25.00 H new ATOM 0 HB2 LEU A 804 -24.605 1.367 2.720 1.00 25.00 H new ATOM 0 HB3 LEU A 804 -25.933 0.266 2.413 1.00 25.00 H new ATOM 0 HG LEU A 804 -24.430 -0.956 0.851 1.00 25.00 H new ATOM 0 HD11 LEU A 804 -21.980 -0.834 1.230 1.00 25.00 H new ATOM 0 HD12 LEU A 804 -22.646 0.639 0.487 1.00 25.00 H new ATOM 0 HD13 LEU A 804 -22.232 0.625 2.218 1.00 25.00 H new ATOM 0 HD21 LEU A 804 -23.228 -2.164 2.703 1.00 25.00 H new ATOM 0 HD22 LEU A 804 -23.622 -0.812 3.792 1.00 25.00 H new ATOM 0 HD23 LEU A 804 -24.925 -1.810 3.105 1.00 25.00 H new ATOM 980 N GLY A 805 -23.958 3.277 -0.041 1.00 25.00 N ATOM 981 CA GLY A 805 -23.351 4.606 -0.080 1.00 25.00 C ATOM 982 C GLY A 805 -22.159 4.739 0.854 1.00 25.00 C ATOM 983 O GLY A 805 -21.801 5.843 1.268 1.00 25.00 O ATOM 0 H GLY A 805 -23.617 2.635 -0.756 1.00 25.00 H new ATOM 0 HA2 GLY A 805 -23.034 4.825 -1.099 1.00 25.00 H new ATOM 0 HA3 GLY A 805 -24.101 5.350 0.188 1.00 25.00 H new ATOM 987 N VAL A 806 -21.546 3.614 1.197 1.00 25.00 N ATOM 988 CA VAL A 806 -20.402 3.577 2.110 1.00 25.00 C ATOM 989 C VAL A 806 -19.420 2.470 1.684 1.00 25.00 C ATOM 990 O VAL A 806 -19.820 1.485 1.071 1.00 25.00 O ATOM 991 CB VAL A 806 -20.855 3.309 3.577 1.00 25.00 C ATOM 992 CG1 VAL A 806 -20.450 4.460 4.489 1.00 25.00 C ATOM 993 CG2 VAL A 806 -22.382 3.102 3.705 1.00 25.00 C ATOM 0 H VAL A 806 -21.826 2.696 0.851 1.00 25.00 H new ATOM 0 HA VAL A 806 -19.914 4.550 2.064 1.00 25.00 H new ATOM 0 HB VAL A 806 -20.355 2.388 3.878 1.00 25.00 H new ATOM 0 HG11 VAL A 806 -20.777 4.250 5.507 1.00 25.00 H new ATOM 0 HG12 VAL A 806 -19.366 4.573 4.472 1.00 25.00 H new ATOM 0 HG13 VAL A 806 -20.917 5.382 4.141 1.00 25.00 H new ATOM 0 HG21 VAL A 806 -22.638 2.919 4.749 1.00 25.00 H new ATOM 0 HG22 VAL A 806 -22.901 3.994 3.355 1.00 25.00 H new ATOM 0 HG23 VAL A 806 -22.685 2.246 3.102 1.00 25.00 H new ATOM 1003 N VAL A 807 -18.149 2.628 2.013 1.00 25.00 N ATOM 1004 CA VAL A 807 -17.108 1.679 1.621 1.00 25.00 C ATOM 1005 C VAL A 807 -16.939 0.636 2.705 1.00 25.00 C ATOM 1006 O VAL A 807 -16.798 0.954 3.884 1.00 25.00 O ATOM 1007 CB VAL A 807 -15.753 2.402 1.446 1.00 25.00 C ATOM 1008 CG1 VAL A 807 -14.665 1.440 0.958 1.00 25.00 C ATOM 1009 CG2 VAL A 807 -15.907 3.536 0.493 1.00 25.00 C ATOM 0 H VAL A 807 -17.804 3.417 2.560 1.00 25.00 H new ATOM 0 HA VAL A 807 -17.406 1.217 0.680 1.00 25.00 H new ATOM 0 HB VAL A 807 -15.443 2.786 2.418 1.00 25.00 H new ATOM 0 HG11 VAL A 807 -13.725 1.981 0.845 1.00 25.00 H new ATOM 0 HG12 VAL A 807 -14.537 0.637 1.684 1.00 25.00 H new ATOM 0 HG13 VAL A 807 -14.958 1.017 -0.003 1.00 25.00 H new ATOM 0 HG21 VAL A 807 -14.949 4.043 0.373 1.00 25.00 H new ATOM 0 HG22 VAL A 807 -16.241 3.157 -0.473 1.00 25.00 H new ATOM 0 HG23 VAL A 807 -16.644 4.240 0.881 1.00 25.00 H new ATOM 1019 N THR A 808 -16.971 -0.621 2.303 1.00 25.00 N ATOM 1020 CA THR A 808 -16.857 -1.744 3.238 1.00 25.00 C ATOM 1021 C THR A 808 -15.538 -2.475 3.068 1.00 25.00 C ATOM 1022 O THR A 808 -14.867 -2.322 2.082 1.00 25.00 O ATOM 1023 CB THR A 808 -18.026 -2.771 3.061 1.00 25.00 C ATOM 1024 OG1 THR A 808 -17.499 -4.044 2.706 1.00 25.00 O ATOM 1025 CG2 THR A 808 -19.006 -2.357 1.960 1.00 25.00 C ATOM 0 H THR A 808 -17.076 -0.900 1.327 1.00 25.00 H new ATOM 0 HA THR A 808 -16.909 -1.314 4.238 1.00 25.00 H new ATOM 0 HB THR A 808 -18.556 -2.806 4.013 1.00 25.00 H new ATOM 0 HG1 THR A 808 -18.218 -4.609 2.355 1.00 25.00 H new ATOM 0 HG21 THR A 808 -19.797 -3.102 1.878 1.00 25.00 H new ATOM 0 HG22 THR A 808 -19.443 -1.390 2.207 1.00 25.00 H new ATOM 0 HG23 THR A 808 -18.476 -2.284 1.010 1.00 25.00 H new ATOM 1033 N PHE A 809 -15.198 -3.289 4.057 1.00 25.00 N ATOM 1034 CA PHE A 809 -13.976 -4.066 4.096 1.00 25.00 C ATOM 1035 C PHE A 809 -13.673 -4.813 2.812 1.00 25.00 C ATOM 1036 O PHE A 809 -12.545 -4.794 2.364 1.00 25.00 O ATOM 1037 CB PHE A 809 -14.077 -5.056 5.252 1.00 25.00 C ATOM 1038 CG PHE A 809 -15.490 -5.355 5.653 1.00 25.00 C ATOM 1039 CD1 PHE A 809 -16.202 -6.390 5.018 1.00 25.00 C ATOM 1040 CD2 PHE A 809 -16.115 -4.623 6.679 1.00 25.00 C ATOM 1041 CE1 PHE A 809 -17.528 -6.676 5.383 1.00 25.00 C ATOM 1042 CE2 PHE A 809 -17.453 -4.901 7.057 1.00 25.00 C ATOM 1043 CZ PHE A 809 -18.158 -5.937 6.403 1.00 25.00 C ATOM 0 H PHE A 809 -15.786 -3.428 4.878 1.00 25.00 H new ATOM 0 HA PHE A 809 -13.153 -3.364 4.230 1.00 25.00 H new ATOM 0 HB2 PHE A 809 -13.582 -5.985 4.970 1.00 25.00 H new ATOM 0 HB3 PHE A 809 -13.539 -4.657 6.112 1.00 25.00 H new ATOM 0 HD1 PHE A 809 -15.724 -6.970 4.242 1.00 25.00 H new ATOM 0 HD2 PHE A 809 -15.569 -3.840 7.185 1.00 25.00 H new ATOM 0 HE1 PHE A 809 -18.066 -7.465 4.880 1.00 25.00 H new ATOM 0 HE2 PHE A 809 -17.929 -4.326 7.838 1.00 25.00 H new ATOM 0 HZ PHE A 809 -19.176 -6.161 6.685 1.00 25.00 H new ATOM 1053 N GLN A 810 -14.669 -5.451 2.230 1.00 25.00 N ATOM 1054 CA GLN A 810 -14.471 -6.224 1.010 1.00 25.00 C ATOM 1055 C GLN A 810 -14.254 -5.303 -0.187 1.00 25.00 C ATOM 1056 O GLN A 810 -13.740 -5.692 -1.211 1.00 25.00 O ATOM 1057 CB GLN A 810 -15.662 -7.165 0.811 1.00 25.00 C ATOM 1058 CG GLN A 810 -16.980 -6.444 0.456 1.00 25.00 C ATOM 1059 CD GLN A 810 -18.164 -6.920 1.295 1.00 25.00 C ATOM 1060 OE1 GLN A 810 -19.053 -6.012 1.630 1.00 25.00 O flip ATOM 1061 NE2 GLN A 810 -18.258 -8.071 1.647 1.00 25.00 N flip ATOM 0 H GLN A 810 -15.627 -5.452 2.580 1.00 25.00 H new ATOM 0 HA GLN A 810 -13.570 -6.830 1.101 1.00 25.00 H new ATOM 0 HB2 GLN A 810 -15.423 -7.874 0.018 1.00 25.00 H new ATOM 0 HB3 GLN A 810 -15.811 -7.744 1.723 1.00 25.00 H new ATOM 0 HG2 GLN A 810 -16.850 -5.371 0.596 1.00 25.00 H new ATOM 0 HG3 GLN A 810 -17.202 -6.603 -0.599 1.00 25.00 H new ATOM 0 HE21 GLN A 810 -17.549 -8.749 1.368 1.00 25.00 H new ATOM 0 HE22 GLN A 810 -19.046 -8.365 2.223 1.00 25.00 H new ATOM 1070 N ALA A 811 -14.663 -4.052 -0.007 1.00 25.00 N ATOM 1071 CA ALA A 811 -14.618 -3.024 -1.042 1.00 25.00 C ATOM 1072 C ALA A 811 -13.265 -2.310 -1.059 1.00 25.00 C ATOM 1073 O ALA A 811 -12.765 -1.993 -2.099 1.00 25.00 O ATOM 1074 CB ALA A 811 -15.703 -2.020 -0.799 1.00 25.00 C ATOM 0 H ALA A 811 -15.042 -3.717 0.879 1.00 25.00 H new ATOM 0 HA ALA A 811 -14.763 -3.509 -2.007 1.00 25.00 H new ATOM 0 HB1 ALA A 811 -15.669 -1.253 -1.572 1.00 25.00 H new ATOM 0 HB2 ALA A 811 -16.672 -2.518 -0.825 1.00 25.00 H new ATOM 0 HB3 ALA A 811 -15.559 -1.558 0.177 1.00 25.00 H new ATOM 1080 N PHE A 812 -12.725 -2.072 0.136 1.00 25.00 N ATOM 1081 CA PHE A 812 -11.417 -1.432 0.306 1.00 25.00 C ATOM 1082 C PHE A 812 -10.340 -2.143 -0.505 1.00 25.00 C ATOM 1083 O PHE A 812 -9.443 -1.537 -1.103 1.00 25.00 O ATOM 1084 CB PHE A 812 -10.998 -1.372 1.712 1.00 25.00 C ATOM 1085 CG PHE A 812 -11.774 -0.373 2.524 1.00 25.00 C ATOM 1086 CD1 PHE A 812 -11.576 0.967 2.536 1.00 25.00 C ATOM 1087 CD2 PHE A 812 -12.657 -0.956 3.397 1.00 25.00 C ATOM 1088 CE1 PHE A 812 -12.294 1.730 3.515 1.00 25.00 C ATOM 1089 CE2 PHE A 812 -13.408 -0.310 4.333 1.00 25.00 C ATOM 1090 CZ PHE A 812 -13.297 1.033 4.400 1.00 25.00 C ATOM 0 H PHE A 812 -13.181 -2.317 1.015 1.00 25.00 H new ATOM 0 HA PHE A 812 -11.535 -0.412 -0.060 1.00 25.00 H new ATOM 0 HB2 PHE A 812 -11.111 -2.359 2.160 1.00 25.00 H new ATOM 0 HB3 PHE A 812 -9.938 -1.121 1.757 1.00 25.00 H new ATOM 0 HD1 PHE A 812 -10.904 1.442 1.836 1.00 25.00 H new ATOM 0 HD2 PHE A 812 -12.768 -2.029 3.337 1.00 25.00 H new ATOM 0 HE1 PHE A 812 -12.119 2.791 3.617 1.00 25.00 H new ATOM 0 HE2 PHE A 812 -14.067 -0.852 4.995 1.00 25.00 H new ATOM 0 HZ PHE A 812 -13.917 1.601 5.078 1.00 25.00 H new ATOM 1100 N ILE A 813 -10.473 -3.451 -0.541 1.00 25.00 N ATOM 1101 CA ILE A 813 -9.463 -4.325 -1.148 1.00 25.00 C ATOM 1102 C ILE A 813 -9.313 -4.066 -2.628 1.00 25.00 C ATOM 1103 O ILE A 813 -8.235 -4.180 -3.193 1.00 25.00 O ATOM 1104 CB ILE A 813 -9.846 -5.820 -0.975 1.00 25.00 C ATOM 1105 CG1 ILE A 813 -10.239 -6.136 0.492 1.00 25.00 C ATOM 1106 CG2 ILE A 813 -8.713 -6.747 -1.462 1.00 25.00 C ATOM 1107 CD1 ILE A 813 -9.284 -5.582 1.595 1.00 25.00 C ATOM 0 H ILE A 813 -11.276 -3.948 -0.155 1.00 25.00 H new ATOM 0 HA ILE A 813 -8.525 -4.106 -0.637 1.00 25.00 H new ATOM 0 HB ILE A 813 -10.720 -6.010 -1.598 1.00 25.00 H new ATOM 0 HG12 ILE A 813 -11.238 -5.739 0.672 1.00 25.00 H new ATOM 0 HG13 ILE A 813 -10.301 -7.218 0.605 1.00 25.00 H new ATOM 0 HG21 ILE A 813 -9.011 -7.787 -1.328 1.00 25.00 H new ATOM 0 HG22 ILE A 813 -8.517 -6.559 -2.518 1.00 25.00 H new ATOM 0 HG23 ILE A 813 -7.809 -6.551 -0.885 1.00 25.00 H new ATOM 0 HD11 ILE A 813 -9.660 -5.865 2.578 1.00 25.00 H new ATOM 0 HD12 ILE A 813 -8.286 -5.998 1.455 1.00 25.00 H new ATOM 0 HD13 ILE A 813 -9.237 -4.495 1.524 1.00 25.00 H new ATOM 1119 N ASP A 814 -10.404 -3.692 -3.248 1.00 25.00 N ATOM 1120 CA ASP A 814 -10.400 -3.349 -4.667 1.00 25.00 C ATOM 1121 C ASP A 814 -9.295 -2.320 -4.960 1.00 25.00 C ATOM 1122 O ASP A 814 -8.513 -2.490 -5.897 1.00 25.00 O ATOM 1123 CB ASP A 814 -11.772 -2.822 -5.091 1.00 25.00 C ATOM 1124 CG ASP A 814 -12.153 -3.275 -6.494 1.00 25.00 C ATOM 1125 OD1 ASP A 814 -11.284 -3.237 -7.389 1.00 25.00 O ATOM 1126 OD2 ASP A 814 -13.321 -3.665 -6.702 1.00 25.00 O ATOM 0 H ASP A 814 -11.316 -3.614 -2.798 1.00 25.00 H new ATOM 0 HA ASP A 814 -10.191 -4.247 -5.249 1.00 25.00 H new ATOM 0 HB2 ASP A 814 -12.526 -3.165 -4.383 1.00 25.00 H new ATOM 0 HB3 ASP A 814 -11.769 -1.733 -5.051 1.00 25.00 H new ATOM 1131 N PHE A 815 -9.193 -1.283 -4.130 1.00 25.00 N ATOM 1132 CA PHE A 815 -8.129 -0.286 -4.286 1.00 25.00 C ATOM 1133 C PHE A 815 -6.809 -0.912 -3.885 1.00 25.00 C ATOM 1134 O PHE A 815 -5.817 -0.764 -4.546 1.00 25.00 O ATOM 1135 CB PHE A 815 -8.351 0.936 -3.392 1.00 25.00 C ATOM 1136 CG PHE A 815 -7.566 2.153 -3.824 1.00 25.00 C ATOM 1137 CD1 PHE A 815 -6.132 2.175 -3.855 1.00 25.00 C ATOM 1138 CD2 PHE A 815 -8.265 3.306 -4.218 1.00 25.00 C ATOM 1139 CE1 PHE A 815 -5.457 3.324 -4.281 1.00 25.00 C ATOM 1140 CE2 PHE A 815 -7.583 4.450 -4.632 1.00 25.00 C ATOM 1141 CZ PHE A 815 -6.184 4.456 -4.674 1.00 25.00 C ATOM 0 H PHE A 815 -9.826 -1.110 -3.349 1.00 25.00 H new ATOM 0 HA PHE A 815 -8.130 0.035 -5.328 1.00 25.00 H new ATOM 0 HB2 PHE A 815 -9.413 1.183 -3.385 1.00 25.00 H new ATOM 0 HB3 PHE A 815 -8.076 0.681 -2.368 1.00 25.00 H new ATOM 0 HD1 PHE A 815 -5.573 1.303 -3.549 1.00 25.00 H new ATOM 0 HD2 PHE A 815 -9.345 3.307 -4.200 1.00 25.00 H new ATOM 0 HE1 PHE A 815 -4.377 3.339 -4.307 1.00 25.00 H new ATOM 0 HE2 PHE A 815 -8.135 5.332 -4.921 1.00 25.00 H new ATOM 0 HZ PHE A 815 -5.661 5.339 -5.011 1.00 25.00 H new ATOM 1151 N MET A 816 -6.791 -1.632 -2.786 1.00 25.00 N ATOM 1152 CA MET A 816 -5.544 -2.204 -2.305 1.00 25.00 C ATOM 1153 C MET A 816 -4.855 -3.205 -3.226 1.00 25.00 C ATOM 1154 O MET A 816 -3.671 -3.429 -3.121 1.00 25.00 O ATOM 1155 CB MET A 816 -5.796 -2.904 -1.016 1.00 25.00 C ATOM 1156 CG MET A 816 -4.771 -2.565 0.045 1.00 25.00 C ATOM 1157 SD MET A 816 -4.799 -0.792 0.328 1.00 25.00 S ATOM 1158 CE MET A 816 -3.366 -0.314 -0.495 1.00 25.00 C ATOM 0 H MET A 816 -7.610 -1.836 -2.213 1.00 25.00 H new ATOM 0 HA MET A 816 -4.873 -1.349 -2.225 1.00 25.00 H new ATOM 0 HB2 MET A 816 -6.789 -2.640 -0.653 1.00 25.00 H new ATOM 0 HB3 MET A 816 -5.794 -3.981 -1.186 1.00 25.00 H new ATOM 0 HG2 MET A 816 -4.993 -3.099 0.969 1.00 25.00 H new ATOM 0 HG3 MET A 816 -3.778 -2.881 -0.275 1.00 25.00 H new ATOM 0 HE1 MET A 816 -3.546 0.620 -1.027 1.00 25.00 H new ATOM 0 HE2 MET A 816 -2.562 -0.171 0.227 1.00 25.00 H new ATOM 0 HE3 MET A 816 -3.080 -1.088 -1.207 1.00 25.00 H new ATOM 1168 N SER A 817 -5.572 -3.820 -4.141 1.00 25.00 N ATOM 1169 CA SER A 817 -4.906 -4.693 -5.100 1.00 25.00 C ATOM 1170 C SER A 817 -4.301 -3.843 -6.211 1.00 25.00 C ATOM 1171 O SER A 817 -3.393 -4.277 -6.919 1.00 25.00 O ATOM 1172 CB SER A 817 -5.865 -5.736 -5.647 1.00 25.00 C ATOM 1173 OG SER A 817 -5.309 -6.433 -6.750 1.00 25.00 O ATOM 0 H SER A 817 -6.583 -3.741 -4.246 1.00 25.00 H new ATOM 0 HA SER A 817 -4.105 -5.237 -4.600 1.00 25.00 H new ATOM 0 HB2 SER A 817 -6.119 -6.445 -4.859 1.00 25.00 H new ATOM 0 HB3 SER A 817 -6.793 -5.252 -5.952 1.00 25.00 H new ATOM 0 HG SER A 817 -4.384 -6.684 -6.546 1.00 25.00 H new ATOM 1179 N ARG A 818 -4.797 -2.620 -6.345 1.00 25.00 N ATOM 1180 CA ARG A 818 -4.248 -1.655 -7.309 1.00 25.00 C ATOM 1181 C ARG A 818 -2.910 -1.147 -6.827 1.00 25.00 C ATOM 1182 O ARG A 818 -2.141 -0.650 -7.621 1.00 25.00 O ATOM 1183 CB ARG A 818 -5.122 -0.418 -7.483 1.00 25.00 C ATOM 1184 CG ARG A 818 -6.530 -0.674 -7.968 1.00 25.00 C ATOM 1185 CD ARG A 818 -6.697 -0.175 -9.379 1.00 25.00 C ATOM 1186 NE ARG A 818 -6.498 1.293 -9.475 1.00 25.00 N ATOM 1187 CZ ARG A 818 -5.449 1.902 -10.030 1.00 25.00 C ATOM 1188 NH1 ARG A 818 -4.462 1.244 -10.589 1.00 25.00 N ATOM 1189 NH2 ARG A 818 -5.380 3.201 -10.013 1.00 25.00 N ATOM 0 H ARG A 818 -5.582 -2.265 -5.799 1.00 25.00 H new ATOM 0 HA ARG A 818 -4.181 -2.194 -8.254 1.00 25.00 H new ATOM 0 HB2 ARG A 818 -5.176 0.104 -6.528 1.00 25.00 H new ATOM 0 HB3 ARG A 818 -4.632 0.255 -8.187 1.00 25.00 H new ATOM 0 HG2 ARG A 818 -6.748 -1.741 -7.924 1.00 25.00 H new ATOM 0 HG3 ARG A 818 -7.244 -0.176 -7.312 1.00 25.00 H new ATOM 0 HD2 ARG A 818 -5.984 -0.681 -10.030 1.00 25.00 H new ATOM 0 HD3 ARG A 818 -7.694 -0.430 -9.739 1.00 25.00 H new ATOM 0 HE ARG A 818 -7.227 1.888 -9.082 1.00 25.00 H new ATOM 0 HH11 ARG A 818 -4.477 0.224 -10.611 1.00 25.00 H new ATOM 0 HH12 ARG A 818 -3.679 1.752 -11.001 1.00 25.00 H new ATOM 0 HH21 ARG A 818 -6.124 3.746 -9.578 1.00 25.00 H new ATOM 0 HH22 ARG A 818 -4.581 3.675 -10.435 1.00 25.00 H new ATOM 1203 N GLU A 819 -2.669 -1.263 -5.524 1.00 25.00 N ATOM 1204 CA GLU A 819 -1.433 -0.792 -4.873 1.00 25.00 C ATOM 1205 C GLU A 819 -0.172 -1.385 -5.543 1.00 25.00 C ATOM 1206 O GLU A 819 0.924 -0.855 -5.437 1.00 25.00 O ATOM 1207 CB GLU A 819 -1.484 -1.186 -3.389 1.00 25.00 C ATOM 1208 CG GLU A 819 -0.226 -1.023 -2.614 1.00 25.00 C ATOM 1209 CD GLU A 819 -0.414 -1.143 -1.116 1.00 25.00 C ATOM 1210 OE1 GLU A 819 -0.901 -2.210 -0.679 1.00 25.00 O ATOM 1211 OE2 GLU A 819 -0.096 -0.195 -0.377 1.00 25.00 O ATOM 0 H GLU A 819 -3.330 -1.691 -4.876 1.00 25.00 H new ATOM 0 HA GLU A 819 -1.370 0.291 -4.976 1.00 25.00 H new ATOM 0 HB2 GLU A 819 -2.261 -0.594 -2.906 1.00 25.00 H new ATOM 0 HB3 GLU A 819 -1.792 -2.230 -3.324 1.00 25.00 H new ATOM 0 HG2 GLU A 819 0.493 -1.774 -2.942 1.00 25.00 H new ATOM 0 HG3 GLU A 819 0.206 -0.048 -2.840 1.00 25.00 H new ATOM 1218 N THR A 820 -0.357 -2.485 -6.261 1.00 25.00 N ATOM 1219 CA THR A 820 0.724 -3.121 -7.018 1.00 25.00 C ATOM 1220 C THR A 820 1.253 -2.209 -8.143 1.00 25.00 C ATOM 1221 O THR A 820 2.317 -2.458 -8.709 1.00 25.00 O ATOM 1222 CB THR A 820 0.230 -4.447 -7.627 1.00 25.00 C ATOM 1223 OG1 THR A 820 -0.943 -4.211 -8.416 1.00 25.00 O ATOM 1224 CG2 THR A 820 -0.147 -5.438 -6.532 1.00 25.00 C ATOM 0 H THR A 820 -1.255 -2.963 -6.338 1.00 25.00 H new ATOM 0 HA THR A 820 1.542 -3.310 -6.323 1.00 25.00 H new ATOM 0 HB THR A 820 1.037 -4.853 -8.237 1.00 25.00 H new ATOM 0 HG1 THR A 820 -1.736 -4.250 -7.842 1.00 25.00 H new ATOM 0 HG21 THR A 820 -0.493 -6.367 -6.985 1.00 25.00 H new ATOM 0 HG22 THR A 820 0.724 -5.641 -5.909 1.00 25.00 H new ATOM 0 HG23 THR A 820 -0.942 -5.016 -5.917 1.00 25.00 H new ATOM 1232 N ALA A 821 0.514 -1.148 -8.445 1.00 25.00 N ATOM 1233 CA ALA A 821 0.940 -0.130 -9.392 1.00 25.00 C ATOM 1234 C ALA A 821 1.400 1.048 -8.534 1.00 25.00 C ATOM 1235 O ALA A 821 0.662 1.521 -7.679 1.00 25.00 O ATOM 1236 CB ALA A 821 -0.215 0.284 -10.299 1.00 25.00 C ATOM 0 H ALA A 821 -0.403 -0.971 -8.036 1.00 25.00 H new ATOM 0 HA ALA A 821 1.733 -0.492 -10.046 1.00 25.00 H new ATOM 0 HB1 ALA A 821 0.127 1.046 -10.999 1.00 25.00 H new ATOM 0 HB2 ALA A 821 -0.571 -0.584 -10.854 1.00 25.00 H new ATOM 0 HB3 ALA A 821 -1.027 0.686 -9.693 1.00 25.00 H new ATOM 1242 N ASP A 822 2.620 1.493 -8.773 1.00 25.00 N ATOM 1243 CA ASP A 822 3.242 2.557 -7.984 1.00 25.00 C ATOM 1244 C ASP A 822 2.529 3.909 -8.095 1.00 25.00 C ATOM 1245 O ASP A 822 1.895 4.211 -9.117 1.00 25.00 O ATOM 1246 CB ASP A 822 4.681 2.709 -8.462 1.00 25.00 C ATOM 1247 CG ASP A 822 5.565 3.427 -7.465 1.00 25.00 C ATOM 1248 OD1 ASP A 822 5.332 3.320 -6.248 1.00 25.00 O ATOM 1249 OD2 ASP A 822 6.531 4.082 -7.917 1.00 25.00 O ATOM 0 H ASP A 822 3.214 1.131 -9.519 1.00 25.00 H new ATOM 0 HA ASP A 822 3.181 2.268 -6.935 1.00 25.00 H new ATOM 0 HB2 ASP A 822 5.097 1.722 -8.663 1.00 25.00 H new ATOM 0 HB3 ASP A 822 4.689 3.256 -9.405 1.00 25.00 H new ATOM 1254 N THR A 823 2.644 4.720 -7.050 1.00 25.00 N ATOM 1255 CA THR A 823 1.979 6.024 -6.989 1.00 25.00 C ATOM 1256 C THR A 823 2.902 7.111 -6.441 1.00 25.00 C ATOM 1257 O THR A 823 3.856 6.822 -5.743 1.00 25.00 O ATOM 1258 CB THR A 823 0.736 5.969 -6.059 1.00 25.00 C ATOM 1259 OG1 THR A 823 0.221 4.638 -6.012 1.00 25.00 O ATOM 1260 CG2 THR A 823 -0.363 6.877 -6.559 1.00 25.00 C ATOM 0 H THR A 823 3.197 4.497 -6.223 1.00 25.00 H new ATOM 0 HA THR A 823 1.691 6.263 -8.013 1.00 25.00 H new ATOM 0 HB THR A 823 1.054 6.295 -5.069 1.00 25.00 H new ATOM 0 HG1 THR A 823 -0.561 4.611 -5.423 1.00 25.00 H new ATOM 0 HG21 THR A 823 -1.219 6.816 -5.887 1.00 25.00 H new ATOM 0 HG22 THR A 823 0.000 7.904 -6.592 1.00 25.00 H new ATOM 0 HG23 THR A 823 -0.664 6.567 -7.559 1.00 25.00 H new ATOM 1268 N ASP A 824 2.592 8.365 -6.741 1.00 25.00 N ATOM 1269 CA ASP A 824 3.341 9.514 -6.211 1.00 25.00 C ATOM 1270 C ASP A 824 3.308 9.499 -4.677 1.00 25.00 C ATOM 1271 O ASP A 824 4.308 9.679 -3.993 1.00 25.00 O ATOM 1272 CB ASP A 824 2.685 10.798 -6.729 1.00 25.00 C ATOM 1273 CG ASP A 824 3.382 12.053 -6.242 1.00 25.00 C ATOM 1274 OD1 ASP A 824 4.421 12.426 -6.827 1.00 25.00 O ATOM 1275 OD2 ASP A 824 2.876 12.677 -5.286 1.00 25.00 O ATOM 0 H ASP A 824 1.819 8.622 -7.355 1.00 25.00 H new ATOM 0 HA ASP A 824 4.380 9.463 -6.537 1.00 25.00 H new ATOM 0 HB2 ASP A 824 2.687 10.787 -7.819 1.00 25.00 H new ATOM 0 HB3 ASP A 824 1.642 10.821 -6.412 1.00 25.00 H new ATOM 1280 N THR A 825 2.122 9.245 -4.157 1.00 25.00 N ATOM 1281 CA THR A 825 1.866 9.161 -2.725 1.00 25.00 C ATOM 1282 C THR A 825 2.431 7.897 -2.082 1.00 25.00 C ATOM 1283 O THR A 825 2.516 7.814 -0.854 1.00 25.00 O ATOM 1284 CB THR A 825 0.375 9.116 -2.499 1.00 25.00 C ATOM 1285 OG1 THR A 825 -0.166 8.178 -3.425 1.00 25.00 O ATOM 1286 CG2 THR A 825 -0.274 10.451 -2.741 1.00 25.00 C ATOM 0 H THR A 825 1.291 9.088 -4.727 1.00 25.00 H new ATOM 0 HA THR A 825 2.347 10.031 -2.277 1.00 25.00 H new ATOM 0 HB THR A 825 0.184 8.837 -1.463 1.00 25.00 H new ATOM 0 HG1 THR A 825 -1.132 8.319 -3.506 1.00 25.00 H new ATOM 0 HG21 THR A 825 -1.347 10.371 -2.566 1.00 25.00 H new ATOM 0 HG22 THR A 825 0.150 11.190 -2.061 1.00 25.00 H new ATOM 0 HG23 THR A 825 -0.096 10.761 -3.771 1.00 25.00 H new ATOM 1294 N ALA A 826 2.778 6.901 -2.888 1.00 25.00 N ATOM 1295 CA ALA A 826 3.231 5.612 -2.367 1.00 25.00 C ATOM 1296 C ALA A 826 4.531 5.738 -1.570 1.00 25.00 C ATOM 1297 O ALA A 826 4.815 4.914 -0.712 1.00 25.00 O ATOM 1298 CB ALA A 826 3.394 4.599 -3.507 1.00 25.00 C ATOM 0 H ALA A 826 2.755 6.959 -3.906 1.00 25.00 H new ATOM 0 HA ALA A 826 2.465 5.252 -1.681 1.00 25.00 H new ATOM 0 HB1 ALA A 826 3.732 3.645 -3.101 1.00 25.00 H new ATOM 0 HB2 ALA A 826 2.437 4.461 -4.010 1.00 25.00 H new ATOM 0 HB3 ALA A 826 4.129 4.970 -4.221 1.00 25.00 H new ATOM 1304 N ASP A 827 5.304 6.779 -1.830 1.00 25.00 N ATOM 1305 CA ASP A 827 6.545 7.012 -1.081 1.00 25.00 C ATOM 1306 C ASP A 827 6.238 7.176 0.411 1.00 25.00 C ATOM 1307 O ASP A 827 7.011 6.774 1.278 1.00 25.00 O ATOM 1308 CB ASP A 827 7.239 8.270 -1.599 1.00 25.00 C ATOM 1309 CG ASP A 827 8.632 8.449 -1.015 1.00 25.00 C ATOM 1310 OD1 ASP A 827 9.502 7.588 -1.270 1.00 25.00 O ATOM 1311 OD2 ASP A 827 8.858 9.457 -0.307 1.00 25.00 O ATOM 0 H ASP A 827 5.104 7.476 -2.547 1.00 25.00 H new ATOM 0 HA ASP A 827 7.202 6.154 -1.219 1.00 25.00 H new ATOM 0 HB2 ASP A 827 7.308 8.222 -2.686 1.00 25.00 H new ATOM 0 HB3 ASP A 827 6.632 9.142 -1.356 1.00 25.00 H new ATOM 1316 N GLN A 828 5.085 7.758 0.706 1.00 25.00 N ATOM 1317 CA GLN A 828 4.686 8.002 2.087 1.00 25.00 C ATOM 1318 C GLN A 828 4.341 6.713 2.814 1.00 25.00 C ATOM 1319 O GLN A 828 4.666 6.551 3.986 1.00 25.00 O ATOM 1320 CB GLN A 828 3.437 8.871 2.147 1.00 25.00 C ATOM 1321 CG GLN A 828 3.474 10.141 1.310 1.00 25.00 C ATOM 1322 CD GLN A 828 2.156 10.877 1.390 1.00 25.00 C ATOM 1323 OE1 GLN A 828 2.098 12.057 1.705 1.00 25.00 O ATOM 1324 NE2 GLN A 828 1.085 10.174 1.117 1.00 25.00 N ATOM 0 H GLN A 828 4.409 8.070 0.009 1.00 25.00 H new ATOM 0 HA GLN A 828 5.537 8.492 2.560 1.00 25.00 H new ATOM 0 HB2 GLN A 828 2.585 8.272 1.827 1.00 25.00 H new ATOM 0 HB3 GLN A 828 3.259 9.148 3.186 1.00 25.00 H new ATOM 0 HG2 GLN A 828 4.279 10.788 1.659 1.00 25.00 H new ATOM 0 HG3 GLN A 828 3.693 9.891 0.272 1.00 25.00 H new ATOM 0 HE21 GLN A 828 1.172 9.191 0.858 1.00 25.00 H new ATOM 0 HE22 GLN A 828 0.164 10.609 1.164 1.00 25.00 H new ATOM 1333 N VAL A 829 3.656 5.804 2.131 1.00 25.00 N ATOM 1334 CA VAL A 829 3.225 4.566 2.776 1.00 25.00 C ATOM 1335 C VAL A 829 4.428 3.623 2.884 1.00 25.00 C ATOM 1336 O VAL A 829 4.572 2.891 3.866 1.00 25.00 O ATOM 1337 CB VAL A 829 1.983 3.900 2.061 1.00 25.00 C ATOM 1338 CG1 VAL A 829 2.265 3.549 0.620 1.00 25.00 C ATOM 1339 CG2 VAL A 829 1.531 2.655 2.808 1.00 25.00 C ATOM 0 H VAL A 829 3.390 5.895 1.150 1.00 25.00 H new ATOM 0 HA VAL A 829 2.867 4.797 3.779 1.00 25.00 H new ATOM 0 HB VAL A 829 1.186 4.643 2.074 1.00 25.00 H new ATOM 0 HG11 VAL A 829 1.379 3.095 0.176 1.00 25.00 H new ATOM 0 HG12 VAL A 829 2.524 4.453 0.069 1.00 25.00 H new ATOM 0 HG13 VAL A 829 3.096 2.845 0.573 1.00 25.00 H new ATOM 0 HG21 VAL A 829 0.675 2.215 2.297 1.00 25.00 H new ATOM 0 HG22 VAL A 829 2.347 1.933 2.838 1.00 25.00 H new ATOM 0 HG23 VAL A 829 1.247 2.924 3.825 1.00 25.00 H new ATOM 1349 N MET A 830 5.312 3.670 1.892 1.00 25.00 N ATOM 1350 CA MET A 830 6.514 2.835 1.878 1.00 25.00 C ATOM 1351 C MET A 830 7.458 3.165 3.029 1.00 25.00 C ATOM 1352 O MET A 830 8.352 2.390 3.336 1.00 25.00 O ATOM 1353 CB MET A 830 7.267 3.004 0.560 1.00 25.00 C ATOM 1354 CG MET A 830 6.755 2.121 -0.568 1.00 25.00 C ATOM 1355 SD MET A 830 7.948 2.040 -1.938 1.00 25.00 S ATOM 1356 CE MET A 830 7.813 3.693 -2.651 1.00 25.00 C ATOM 0 H MET A 830 5.219 4.281 1.081 1.00 25.00 H new ATOM 0 HA MET A 830 6.180 1.804 1.991 1.00 25.00 H new ATOM 0 HB2 MET A 830 7.202 4.046 0.248 1.00 25.00 H new ATOM 0 HB3 MET A 830 8.322 2.786 0.727 1.00 25.00 H new ATOM 0 HG2 MET A 830 6.565 1.117 -0.189 1.00 25.00 H new ATOM 0 HG3 MET A 830 5.804 2.509 -0.933 1.00 25.00 H new ATOM 0 HE1 MET A 830 8.128 3.666 -3.694 1.00 25.00 H new ATOM 0 HE2 MET A 830 6.778 4.031 -2.593 1.00 25.00 H new ATOM 0 HE3 MET A 830 8.451 4.381 -2.097 1.00 25.00 H new ATOM 1366 N ALA A 831 7.246 4.298 3.691 1.00 25.00 N ATOM 1367 CA ALA A 831 8.044 4.686 4.855 1.00 25.00 C ATOM 1368 C ALA A 831 8.056 3.576 5.927 1.00 25.00 C ATOM 1369 O ALA A 831 8.945 3.545 6.791 1.00 25.00 O ATOM 1370 CB ALA A 831 7.509 5.995 5.440 1.00 25.00 C ATOM 0 H ALA A 831 6.522 4.971 3.440 1.00 25.00 H new ATOM 0 HA ALA A 831 9.073 4.836 4.528 1.00 25.00 H new ATOM 0 HB1 ALA A 831 8.107 6.278 6.306 1.00 25.00 H new ATOM 0 HB2 ALA A 831 7.567 6.781 4.687 1.00 25.00 H new ATOM 0 HB3 ALA A 831 6.471 5.860 5.745 1.00 25.00 H new ATOM 1376 N SER A 832 7.088 2.669 5.858 1.00 25.00 N ATOM 1377 CA SER A 832 7.007 1.518 6.752 1.00 25.00 C ATOM 1378 C SER A 832 8.305 0.711 6.783 1.00 25.00 C ATOM 1379 O SER A 832 8.626 0.118 7.814 1.00 25.00 O ATOM 1380 CB SER A 832 5.873 0.600 6.299 1.00 25.00 C ATOM 1381 OG SER A 832 6.114 0.144 4.981 1.00 25.00 O ATOM 0 H SER A 832 6.331 2.711 5.175 1.00 25.00 H new ATOM 0 HA SER A 832 6.824 1.902 7.755 1.00 25.00 H new ATOM 0 HB2 SER A 832 5.790 -0.250 6.977 1.00 25.00 H new ATOM 0 HB3 SER A 832 4.924 1.134 6.340 1.00 25.00 H new ATOM 0 HG SER A 832 6.072 -0.835 4.961 1.00 25.00 H new ATOM 1387 N PHE A 833 9.081 0.686 5.701 1.00 25.00 N ATOM 1388 CA PHE A 833 10.336 -0.068 5.723 1.00 25.00 C ATOM 1389 C PHE A 833 11.326 0.461 6.781 1.00 25.00 C ATOM 1390 O PHE A 833 12.186 -0.280 7.256 1.00 25.00 O ATOM 1391 CB PHE A 833 10.987 -0.215 4.330 1.00 25.00 C ATOM 1392 CG PHE A 833 11.109 1.071 3.517 1.00 25.00 C ATOM 1393 CD1 PHE A 833 11.656 2.263 4.048 1.00 25.00 C ATOM 1394 CD2 PHE A 833 10.693 1.068 2.170 1.00 25.00 C ATOM 1395 CE1 PHE A 833 11.768 3.431 3.252 1.00 25.00 C ATOM 1396 CE2 PHE A 833 10.819 2.228 1.364 1.00 25.00 C ATOM 1397 CZ PHE A 833 11.347 3.409 1.910 1.00 25.00 C ATOM 0 H PHE A 833 8.874 1.162 4.823 1.00 25.00 H new ATOM 0 HA PHE A 833 10.063 -1.078 6.029 1.00 25.00 H new ATOM 0 HB2 PHE A 833 11.983 -0.638 4.458 1.00 25.00 H new ATOM 0 HB3 PHE A 833 10.407 -0.935 3.752 1.00 25.00 H new ATOM 0 HD1 PHE A 833 11.993 2.283 5.074 1.00 25.00 H new ATOM 0 HD2 PHE A 833 10.272 0.169 1.745 1.00 25.00 H new ATOM 0 HE1 PHE A 833 12.176 4.337 3.676 1.00 25.00 H new ATOM 0 HE2 PHE A 833 10.509 2.203 0.330 1.00 25.00 H new ATOM 0 HZ PHE A 833 11.430 4.298 1.302 1.00 25.00 H new ATOM 1407 N LYS A 834 11.207 1.720 7.189 1.00 25.00 N ATOM 1408 CA LYS A 834 12.085 2.253 8.232 1.00 25.00 C ATOM 1409 C LYS A 834 11.627 1.721 9.577 1.00 25.00 C ATOM 1410 O LYS A 834 12.447 1.406 10.442 1.00 25.00 O ATOM 1411 CB LYS A 834 12.067 3.793 8.233 1.00 25.00 C ATOM 1412 CG LYS A 834 12.903 4.455 9.358 1.00 25.00 C ATOM 1413 CD LYS A 834 14.388 4.158 9.259 1.00 25.00 C ATOM 1414 CE LYS A 834 14.888 3.710 10.612 1.00 25.00 C ATOM 1415 NZ LYS A 834 15.417 2.301 10.580 1.00 25.00 N ATOM 0 H LYS A 834 10.524 2.383 6.823 1.00 25.00 H new ATOM 0 HA LYS A 834 13.109 1.933 8.036 1.00 25.00 H new ATOM 0 HB2 LYS A 834 12.436 4.147 7.270 1.00 25.00 H new ATOM 0 HB3 LYS A 834 11.034 4.130 8.322 1.00 25.00 H new ATOM 0 HG2 LYS A 834 12.753 5.534 9.325 1.00 25.00 H new ATOM 0 HG3 LYS A 834 12.535 4.111 10.325 1.00 25.00 H new ATOM 0 HD2 LYS A 834 14.569 3.383 8.515 1.00 25.00 H new ATOM 0 HD3 LYS A 834 14.929 5.046 8.932 1.00 25.00 H new ATOM 0 HE2 LYS A 834 15.675 4.385 10.949 1.00 25.00 H new ATOM 0 HE3 LYS A 834 14.078 3.777 11.338 1.00 25.00 H new ATOM 0 HZ1 LYS A 834 15.827 2.063 11.506 1.00 25.00 H new ATOM 0 HZ2 LYS A 834 14.640 1.643 10.366 1.00 25.00 H new ATOM 0 HZ3 LYS A 834 16.150 2.222 9.846 1.00 25.00 H new ATOM 1429 N ILE A 835 10.318 1.615 9.743 1.00 25.00 N ATOM 1430 CA ILE A 835 9.720 1.125 10.985 1.00 25.00 C ATOM 1431 C ILE A 835 10.062 -0.354 11.138 1.00 25.00 C ATOM 1432 O ILE A 835 10.424 -0.804 12.223 1.00 25.00 O ATOM 1433 CB ILE A 835 8.159 1.337 10.984 1.00 25.00 C ATOM 1434 CG1 ILE A 835 7.819 2.828 11.199 1.00 25.00 C ATOM 1435 CG2 ILE A 835 7.486 0.508 12.101 1.00 25.00 C ATOM 1436 CD1 ILE A 835 7.729 3.676 9.927 1.00 25.00 C ATOM 0 H ILE A 835 9.638 1.864 9.025 1.00 25.00 H new ATOM 0 HA ILE A 835 10.123 1.687 11.828 1.00 25.00 H new ATOM 0 HB ILE A 835 7.783 1.007 10.016 1.00 25.00 H new ATOM 0 HG12 ILE A 835 6.867 2.893 11.726 1.00 25.00 H new ATOM 0 HG13 ILE A 835 8.575 3.264 11.852 1.00 25.00 H new ATOM 0 HG21 ILE A 835 6.409 0.673 12.078 1.00 25.00 H new ATOM 0 HG22 ILE A 835 7.695 -0.550 11.945 1.00 25.00 H new ATOM 0 HG23 ILE A 835 7.879 0.816 13.070 1.00 25.00 H new ATOM 0 HD11 ILE A 835 7.486 4.705 10.192 1.00 25.00 H new ATOM 0 HD12 ILE A 835 8.686 3.652 9.405 1.00 25.00 H new ATOM 0 HD13 ILE A 835 6.951 3.275 9.277 1.00 25.00 H new ATOM 1448 N LEU A 836 9.964 -1.099 10.047 1.00 25.00 N ATOM 1449 CA LEU A 836 10.286 -2.524 10.049 1.00 25.00 C ATOM 1450 C LEU A 836 11.736 -2.767 10.430 1.00 25.00 C ATOM 1451 O LEU A 836 12.033 -3.637 11.247 1.00 25.00 O ATOM 1452 CB LEU A 836 10.095 -3.091 8.655 1.00 25.00 C ATOM 1453 CG LEU A 836 8.739 -3.629 8.221 1.00 25.00 C ATOM 1454 CD1 LEU A 836 8.830 -3.847 6.722 1.00 25.00 C ATOM 1455 CD2 LEU A 836 8.417 -4.944 8.944 1.00 25.00 C ATOM 0 H LEU A 836 9.662 -0.740 9.141 1.00 25.00 H new ATOM 0 HA LEU A 836 9.627 -3.002 10.774 1.00 25.00 H new ATOM 0 HB2 LEU A 836 10.372 -2.309 7.948 1.00 25.00 H new ATOM 0 HB3 LEU A 836 10.816 -3.900 8.535 1.00 25.00 H new ATOM 0 HG LEU A 836 7.940 -2.931 8.471 1.00 25.00 H new ATOM 0 HD11 LEU A 836 7.881 -4.235 6.352 1.00 25.00 H new ATOM 0 HD12 LEU A 836 9.052 -2.900 6.229 1.00 25.00 H new ATOM 0 HD13 LEU A 836 9.623 -4.563 6.506 1.00 25.00 H new ATOM 0 HD21 LEU A 836 7.443 -5.310 8.618 1.00 25.00 H new ATOM 0 HD22 LEU A 836 9.180 -5.685 8.708 1.00 25.00 H new ATOM 0 HD23 LEU A 836 8.398 -4.772 10.020 1.00 25.00 H new ATOM 1467 N ALA A 837 12.634 -1.999 9.823 1.00 25.00 N ATOM 1468 CA ALA A 837 14.060 -2.126 10.097 1.00 25.00 C ATOM 1469 C ALA A 837 14.325 -1.751 11.564 1.00 25.00 C ATOM 1470 O ALA A 837 15.081 -2.410 12.276 1.00 25.00 O ATOM 1471 CB ALA A 837 14.873 -1.197 9.134 1.00 25.00 C ATOM 0 H ALA A 837 12.399 -1.281 9.137 1.00 25.00 H new ATOM 0 HA ALA A 837 14.379 -3.155 9.929 1.00 25.00 H new ATOM 0 HB1 ALA A 837 15.938 -1.297 9.345 1.00 25.00 H new ATOM 0 HB2 ALA A 837 14.679 -1.485 8.101 1.00 25.00 H new ATOM 0 HB3 ALA A 837 14.569 -0.161 9.285 1.00 25.00 H new ATOM 1477 N GLY A 838 13.703 -0.675 12.014 1.00 25.00 N ATOM 1478 CA GLY A 838 13.912 -0.214 13.372 1.00 25.00 C ATOM 1479 C GLY A 838 15.248 0.484 13.544 1.00 25.00 C ATOM 1480 O GLY A 838 15.331 1.696 13.374 1.00 25.00 O ATOM 0 H GLY A 838 13.056 -0.110 11.464 1.00 25.00 H new ATOM 0 HA2 GLY A 838 13.109 0.469 13.649 1.00 25.00 H new ATOM 0 HA3 GLY A 838 13.858 -1.063 14.054 1.00 25.00 H new ATOM 1484 N ASP A 839 16.285 -0.269 13.891 1.00 25.00 N ATOM 1485 CA ASP A 839 17.603 0.306 14.202 1.00 25.00 C ATOM 1486 C ASP A 839 18.686 -0.110 13.205 1.00 25.00 C ATOM 1487 O ASP A 839 19.839 0.284 13.315 1.00 25.00 O ATOM 1488 CB ASP A 839 18.016 -0.127 15.614 1.00 25.00 C ATOM 1489 CG ASP A 839 18.986 0.848 16.273 1.00 25.00 C ATOM 1490 OD1 ASP A 839 18.919 2.063 15.983 1.00 25.00 O ATOM 1491 OD2 ASP A 839 19.802 0.393 17.104 1.00 25.00 O ATOM 0 H ASP A 839 16.245 -1.285 13.966 1.00 25.00 H new ATOM 0 HA ASP A 839 17.510 1.390 14.136 1.00 25.00 H new ATOM 0 HB2 ASP A 839 17.125 -0.221 16.235 1.00 25.00 H new ATOM 0 HB3 ASP A 839 18.477 -1.114 15.566 1.00 25.00 H new ATOM 1496 N LYS A 840 18.318 -0.929 12.227 1.00 25.00 N ATOM 1497 CA LYS A 840 19.294 -1.435 11.259 1.00 25.00 C ATOM 1498 C LYS A 840 19.304 -0.549 10.021 1.00 25.00 C ATOM 1499 O LYS A 840 18.339 0.161 9.750 1.00 25.00 O ATOM 1500 CB LYS A 840 18.989 -2.888 10.913 1.00 25.00 C ATOM 1501 CG LYS A 840 17.610 -3.095 10.392 1.00 25.00 C ATOM 1502 CD LYS A 840 17.147 -4.527 10.503 1.00 25.00 C ATOM 1503 CE LYS A 840 17.794 -5.457 9.490 1.00 25.00 C ATOM 1504 NZ LYS A 840 17.189 -6.815 9.610 1.00 25.00 N ATOM 0 H LYS A 840 17.363 -1.256 12.081 1.00 25.00 H new ATOM 0 HA LYS A 840 20.291 -1.405 11.699 1.00 25.00 H new ATOM 0 HB2 LYS A 840 19.706 -3.235 10.169 1.00 25.00 H new ATOM 0 HB3 LYS A 840 19.130 -3.503 11.802 1.00 25.00 H new ATOM 0 HG2 LYS A 840 16.920 -2.452 10.939 1.00 25.00 H new ATOM 0 HG3 LYS A 840 17.572 -2.787 9.347 1.00 25.00 H new ATOM 0 HD2 LYS A 840 17.361 -4.892 11.507 1.00 25.00 H new ATOM 0 HD3 LYS A 840 16.065 -4.561 10.375 1.00 25.00 H new ATOM 0 HE2 LYS A 840 17.651 -5.070 8.481 1.00 25.00 H new ATOM 0 HE3 LYS A 840 18.869 -5.509 9.662 1.00 25.00 H new ATOM 0 HZ1 LYS A 840 17.940 -7.534 9.579 1.00 25.00 H new ATOM 0 HZ2 LYS A 840 16.677 -6.888 10.512 1.00 25.00 H new ATOM 0 HZ3 LYS A 840 16.528 -6.971 8.823 1.00 25.00 H new ATOM 1518 N ASN A 841 20.408 -0.594 9.289 1.00 25.00 N ATOM 1519 CA ASN A 841 20.622 0.249 8.106 1.00 25.00 C ATOM 1520 C ASN A 841 20.175 -0.378 6.790 1.00 25.00 C ATOM 1521 O ASN A 841 20.326 0.232 5.745 1.00 25.00 O ATOM 1522 CB ASN A 841 22.118 0.554 7.978 1.00 25.00 C ATOM 1523 CG ASN A 841 22.912 -0.645 7.668 1.00 25.00 C ATOM 1524 OD1 ASN A 841 22.943 -1.629 8.394 1.00 25.00 O ATOM 1525 ND2 ASN A 841 23.558 -0.571 6.568 1.00 25.00 N ATOM 0 H ASN A 841 21.189 -1.217 9.495 1.00 25.00 H new ATOM 0 HA ASN A 841 20.013 1.139 8.266 1.00 25.00 H new ATOM 0 HB2 ASN A 841 22.268 1.298 7.196 1.00 25.00 H new ATOM 0 HB3 ASN A 841 22.477 0.993 8.909 1.00 25.00 H new ATOM 0 HD21 ASN A 841 24.133 -1.356 6.260 1.00 25.00 H new ATOM 0 HD22 ASN A 841 23.499 0.273 5.998 1.00 25.00 H new ATOM 1532 N TYR A 842 19.643 -1.586 6.832 1.00 25.00 N ATOM 1533 CA TYR A 842 19.204 -2.271 5.618 1.00 25.00 C ATOM 1534 C TYR A 842 17.972 -3.051 6.017 1.00 25.00 C ATOM 1535 O TYR A 842 17.764 -3.268 7.189 1.00 25.00 O ATOM 1536 CB TYR A 842 20.292 -3.223 5.097 1.00 25.00 C ATOM 1537 CG TYR A 842 20.444 -4.486 5.928 1.00 25.00 C ATOM 1538 CD1 TYR A 842 21.272 -4.508 7.067 1.00 25.00 C ATOM 1539 CD2 TYR A 842 19.755 -5.670 5.578 1.00 25.00 C ATOM 1540 CE1 TYR A 842 21.401 -5.686 7.850 1.00 25.00 C ATOM 1541 CE2 TYR A 842 19.892 -6.844 6.344 1.00 25.00 C ATOM 1542 CZ TYR A 842 20.709 -6.841 7.480 1.00 25.00 C ATOM 1543 OH TYR A 842 20.828 -7.976 8.241 1.00 25.00 O ATOM 0 H TYR A 842 19.502 -2.118 7.691 1.00 25.00 H new ATOM 0 HA TYR A 842 18.998 -1.563 4.815 1.00 25.00 H new ATOM 0 HB2 TYR A 842 20.058 -3.500 4.069 1.00 25.00 H new ATOM 0 HB3 TYR A 842 21.245 -2.695 5.076 1.00 25.00 H new ATOM 0 HD1 TYR A 842 21.816 -3.618 7.349 1.00 25.00 H new ATOM 0 HD2 TYR A 842 19.113 -5.674 4.709 1.00 25.00 H new ATOM 0 HE1 TYR A 842 22.031 -5.688 8.727 1.00 25.00 H new ATOM 0 HE2 TYR A 842 19.368 -7.743 6.056 1.00 25.00 H new ATOM 0 HH TYR A 842 20.283 -8.691 7.850 1.00 25.00 H new ATOM 1553 N ILE A 843 17.167 -3.479 5.068 1.00 25.00 N ATOM 1554 CA ILE A 843 16.008 -4.307 5.352 1.00 25.00 C ATOM 1555 C ILE A 843 16.262 -5.650 4.704 1.00 25.00 C ATOM 1556 O ILE A 843 16.947 -5.737 3.692 1.00 25.00 O ATOM 1557 CB ILE A 843 14.700 -3.655 4.796 1.00 25.00 C ATOM 1558 CG1 ILE A 843 13.472 -4.184 5.538 1.00 25.00 C ATOM 1559 CG2 ILE A 843 14.539 -3.854 3.291 1.00 25.00 C ATOM 1560 CD1 ILE A 843 13.309 -3.510 6.834 1.00 25.00 C ATOM 0 H ILE A 843 17.295 -3.265 4.079 1.00 25.00 H new ATOM 0 HA ILE A 843 15.866 -4.416 6.427 1.00 25.00 H new ATOM 0 HB ILE A 843 14.786 -2.582 4.970 1.00 25.00 H new ATOM 0 HG12 ILE A 843 12.581 -4.030 4.929 1.00 25.00 H new ATOM 0 HG13 ILE A 843 13.571 -5.258 5.693 1.00 25.00 H new ATOM 0 HG21 ILE A 843 13.615 -3.382 2.958 1.00 25.00 H new ATOM 0 HG22 ILE A 843 15.384 -3.403 2.772 1.00 25.00 H new ATOM 0 HG23 ILE A 843 14.503 -4.920 3.067 1.00 25.00 H new ATOM 0 HD11 ILE A 843 12.429 -3.905 7.341 1.00 25.00 H new ATOM 0 HD12 ILE A 843 14.191 -3.686 7.449 1.00 25.00 H new ATOM 0 HD13 ILE A 843 13.186 -2.439 6.674 1.00 25.00 H new ATOM 1572 N THR A 844 15.729 -6.707 5.271 1.00 25.00 N ATOM 1573 CA THR A 844 15.831 -8.005 4.626 1.00 25.00 C ATOM 1574 C THR A 844 14.611 -8.117 3.736 1.00 25.00 C ATOM 1575 O THR A 844 13.569 -7.536 4.033 1.00 25.00 O ATOM 1576 CB THR A 844 15.853 -9.175 5.624 1.00 25.00 C ATOM 1577 OG1 THR A 844 14.675 -9.148 6.426 1.00 25.00 O ATOM 1578 CG2 THR A 844 17.048 -9.104 6.542 1.00 25.00 C ATOM 0 H THR A 844 15.229 -6.701 6.160 1.00 25.00 H new ATOM 0 HA THR A 844 16.770 -8.069 4.076 1.00 25.00 H new ATOM 0 HB THR A 844 15.907 -10.095 5.043 1.00 25.00 H new ATOM 0 HG1 THR A 844 14.711 -8.380 7.034 1.00 25.00 H new ATOM 0 HG21 THR A 844 17.027 -9.948 7.232 1.00 25.00 H new ATOM 0 HG22 THR A 844 17.963 -9.141 5.951 1.00 25.00 H new ATOM 0 HG23 THR A 844 17.018 -8.172 7.107 1.00 25.00 H new ATOM 1586 N MET A 845 14.722 -8.870 2.654 1.00 25.00 N ATOM 1587 CA MET A 845 13.575 -9.136 1.792 1.00 25.00 C ATOM 1588 C MET A 845 12.439 -9.730 2.614 1.00 25.00 C ATOM 1589 O MET A 845 11.272 -9.471 2.358 1.00 25.00 O ATOM 1590 CB MET A 845 13.965 -10.125 0.694 1.00 25.00 C ATOM 1591 CG MET A 845 15.045 -9.595 -0.204 1.00 25.00 C ATOM 1592 SD MET A 845 15.419 -10.647 -1.593 1.00 25.00 S ATOM 1593 CE MET A 845 16.633 -9.616 -2.378 1.00 25.00 C ATOM 0 H MET A 845 15.591 -9.308 2.350 1.00 25.00 H new ATOM 0 HA MET A 845 13.251 -8.198 1.340 1.00 25.00 H new ATOM 0 HB2 MET A 845 14.302 -11.055 1.151 1.00 25.00 H new ATOM 0 HB3 MET A 845 13.085 -10.364 0.096 1.00 25.00 H new ATOM 0 HG2 MET A 845 14.746 -8.615 -0.575 1.00 25.00 H new ATOM 0 HG3 MET A 845 15.952 -9.450 0.383 1.00 25.00 H new ATOM 0 HE1 MET A 845 17.341 -10.239 -2.924 1.00 25.00 H new ATOM 0 HE2 MET A 845 16.139 -8.935 -3.071 1.00 25.00 H new ATOM 0 HE3 MET A 845 17.165 -9.040 -1.621 1.00 25.00 H new ATOM 1603 N ASP A 846 12.795 -10.523 3.615 1.00 25.00 N ATOM 1604 CA ASP A 846 11.797 -11.181 4.458 1.00 25.00 C ATOM 1605 C ASP A 846 11.093 -10.206 5.397 1.00 25.00 C ATOM 1606 O ASP A 846 9.992 -10.480 5.840 1.00 25.00 O ATOM 1607 CB ASP A 846 12.429 -12.315 5.274 1.00 25.00 C ATOM 1608 CG ASP A 846 12.276 -13.686 4.601 1.00 25.00 C ATOM 1609 OD1 ASP A 846 11.594 -13.793 3.551 1.00 25.00 O ATOM 1610 OD2 ASP A 846 12.836 -14.661 5.136 1.00 25.00 O ATOM 0 H ASP A 846 13.762 -10.728 3.865 1.00 25.00 H new ATOM 0 HA ASP A 846 11.048 -11.594 3.782 1.00 25.00 H new ATOM 0 HB2 ASP A 846 13.488 -12.104 5.422 1.00 25.00 H new ATOM 0 HB3 ASP A 846 11.969 -12.346 6.262 1.00 25.00 H new ATOM 1615 N GLU A 847 11.702 -9.064 5.694 1.00 25.00 N ATOM 1616 CA GLU A 847 11.043 -8.070 6.545 1.00 25.00 C ATOM 1617 C GLU A 847 9.968 -7.352 5.747 1.00 25.00 C ATOM 1618 O GLU A 847 8.944 -6.980 6.288 1.00 25.00 O ATOM 1619 CB GLU A 847 12.041 -7.062 7.129 1.00 25.00 C ATOM 1620 CG GLU A 847 12.574 -7.517 8.494 1.00 25.00 C ATOM 1621 CD GLU A 847 13.982 -7.013 8.821 1.00 25.00 C ATOM 1622 OE1 GLU A 847 14.785 -6.773 7.894 1.00 25.00 O ATOM 1623 OE2 GLU A 847 14.306 -6.883 10.017 1.00 25.00 O ATOM 0 H GLU A 847 12.632 -8.803 5.368 1.00 25.00 H new ATOM 0 HA GLU A 847 10.588 -8.593 7.386 1.00 25.00 H new ATOM 0 HB2 GLU A 847 12.874 -6.932 6.438 1.00 25.00 H new ATOM 0 HB3 GLU A 847 11.558 -6.090 7.232 1.00 25.00 H new ATOM 0 HG2 GLU A 847 11.889 -7.176 9.270 1.00 25.00 H new ATOM 0 HG3 GLU A 847 12.574 -8.607 8.526 1.00 25.00 H new ATOM 1630 N LEU A 848 10.184 -7.176 4.454 1.00 25.00 N ATOM 1631 CA LEU A 848 9.158 -6.565 3.609 1.00 25.00 C ATOM 1632 C LEU A 848 8.042 -7.585 3.458 1.00 25.00 C ATOM 1633 O LEU A 848 6.868 -7.266 3.502 1.00 25.00 O ATOM 1634 CB LEU A 848 9.735 -6.202 2.241 1.00 25.00 C ATOM 1635 CG LEU A 848 10.851 -5.149 2.281 1.00 25.00 C ATOM 1636 CD1 LEU A 848 11.567 -5.134 0.952 1.00 25.00 C ATOM 1637 CD2 LEU A 848 10.301 -3.758 2.599 1.00 25.00 C ATOM 0 H LEU A 848 11.041 -7.440 3.969 1.00 25.00 H new ATOM 0 HA LEU A 848 8.786 -5.645 4.059 1.00 25.00 H new ATOM 0 HB2 LEU A 848 10.123 -7.107 1.772 1.00 25.00 H new ATOM 0 HB3 LEU A 848 8.929 -5.835 1.606 1.00 25.00 H new ATOM 0 HG LEU A 848 11.548 -5.415 3.076 1.00 25.00 H new ATOM 0 HD11 LEU A 848 12.361 -4.388 0.975 1.00 25.00 H new ATOM 0 HD12 LEU A 848 11.998 -6.117 0.760 1.00 25.00 H new ATOM 0 HD13 LEU A 848 10.860 -4.887 0.160 1.00 25.00 H new ATOM 0 HD21 LEU A 848 11.120 -3.039 2.619 1.00 25.00 H new ATOM 0 HD22 LEU A 848 9.581 -3.468 1.834 1.00 25.00 H new ATOM 0 HD23 LEU A 848 9.809 -3.775 3.572 1.00 25.00 H new ATOM 1649 N ARG A 849 8.439 -8.839 3.318 1.00 25.00 N ATOM 1650 CA ARG A 849 7.521 -9.976 3.184 1.00 25.00 C ATOM 1651 C ARG A 849 6.989 -10.378 4.561 1.00 25.00 C ATOM 1652 O ARG A 849 6.766 -11.556 4.831 1.00 25.00 O ATOM 1653 CB ARG A 849 8.276 -11.161 2.565 1.00 25.00 C ATOM 1654 CG ARG A 849 8.614 -10.976 1.089 1.00 25.00 C ATOM 1655 CD ARG A 849 9.756 -11.885 0.609 1.00 25.00 C ATOM 1656 NE ARG A 849 9.884 -13.125 1.391 1.00 25.00 N ATOM 1657 CZ ARG A 849 9.192 -14.239 1.205 1.00 25.00 C ATOM 1658 NH1 ARG A 849 8.274 -14.360 0.275 1.00 25.00 N ATOM 1659 NH2 ARG A 849 9.441 -15.249 1.985 1.00 25.00 N ATOM 0 H ARG A 849 9.423 -9.108 3.293 1.00 25.00 H new ATOM 0 HA ARG A 849 6.685 -9.694 2.545 1.00 25.00 H new ATOM 0 HB2 ARG A 849 9.199 -11.321 3.122 1.00 25.00 H new ATOM 0 HB3 ARG A 849 7.674 -12.062 2.680 1.00 25.00 H new ATOM 0 HG2 ARG A 849 7.724 -11.176 0.492 1.00 25.00 H new ATOM 0 HG3 ARG A 849 8.889 -9.936 0.914 1.00 25.00 H new ATOM 0 HD2 ARG A 849 9.592 -12.140 -0.438 1.00 25.00 H new ATOM 0 HD3 ARG A 849 10.695 -11.334 0.660 1.00 25.00 H new ATOM 0 HE ARG A 849 10.569 -13.127 2.146 1.00 25.00 H new ATOM 0 HH11 ARG A 849 8.068 -13.575 -0.343 1.00 25.00 H new ATOM 0 HH12 ARG A 849 7.767 -15.239 0.170 1.00 25.00 H new ATOM 0 HH21 ARG A 849 10.151 -15.168 2.713 1.00 25.00 H new ATOM 0 HH22 ARG A 849 8.926 -16.122 1.869 1.00 25.00 H new ATOM 1673 N ARG A 850 6.805 -9.400 5.437 1.00 25.00 N ATOM 1674 CA ARG A 850 6.374 -9.668 6.816 1.00 25.00 C ATOM 1675 C ARG A 850 5.136 -8.867 7.033 1.00 25.00 C ATOM 1676 O ARG A 850 4.239 -9.257 7.765 1.00 25.00 O ATOM 1677 CB ARG A 850 7.452 -9.226 7.800 1.00 25.00 C ATOM 1678 CG ARG A 850 7.263 -9.675 9.228 1.00 25.00 C ATOM 1679 CD ARG A 850 8.436 -9.171 10.066 1.00 25.00 C ATOM 1680 NE ARG A 850 8.000 -8.255 11.134 1.00 25.00 N ATOM 1681 CZ ARG A 850 8.768 -7.348 11.731 1.00 25.00 C ATOM 1682 NH1 ARG A 850 10.025 -7.162 11.402 1.00 25.00 N ATOM 1683 NH2 ARG A 850 8.259 -6.605 12.674 1.00 25.00 N ATOM 0 H ARG A 850 6.945 -8.412 5.225 1.00 25.00 H new ATOM 0 HA ARG A 850 6.195 -10.732 6.972 1.00 25.00 H new ATOM 0 HB2 ARG A 850 8.414 -9.598 7.447 1.00 25.00 H new ATOM 0 HB3 ARG A 850 7.506 -8.137 7.786 1.00 25.00 H new ATOM 0 HG2 ARG A 850 6.324 -9.288 9.623 1.00 25.00 H new ATOM 0 HG3 ARG A 850 7.205 -10.762 9.276 1.00 25.00 H new ATOM 0 HD2 ARG A 850 8.957 -10.020 10.508 1.00 25.00 H new ATOM 0 HD3 ARG A 850 9.150 -8.660 9.420 1.00 25.00 H new ATOM 0 HE ARG A 850 7.030 -8.322 11.441 1.00 25.00 H new ATOM 0 HH11 ARG A 850 10.447 -7.724 10.663 1.00 25.00 H new ATOM 0 HH12 ARG A 850 10.579 -6.455 11.885 1.00 25.00 H new ATOM 0 HH21 ARG A 850 7.283 -6.723 12.946 1.00 25.00 H new ATOM 0 HH22 ARG A 850 8.837 -5.906 13.140 1.00 25.00 H new ATOM 1697 N GLU A 851 5.115 -7.729 6.365 1.00 25.00 N ATOM 1698 CA GLU A 851 3.974 -6.842 6.406 1.00 25.00 C ATOM 1699 C GLU A 851 3.272 -6.900 5.048 1.00 25.00 C ATOM 1700 O GLU A 851 2.109 -6.539 4.928 1.00 25.00 O ATOM 1701 CB GLU A 851 4.443 -5.428 6.758 1.00 25.00 C ATOM 1702 CG GLU A 851 5.230 -4.740 5.663 1.00 25.00 C ATOM 1703 CD GLU A 851 5.593 -3.296 6.023 1.00 25.00 C ATOM 1704 OE1 GLU A 851 5.394 -2.895 7.194 1.00 25.00 O ATOM 1705 OE2 GLU A 851 6.091 -2.564 5.139 1.00 25.00 O ATOM 0 H GLU A 851 5.884 -7.397 5.783 1.00 25.00 H new ATOM 0 HA GLU A 851 3.262 -7.146 7.173 1.00 25.00 H new ATOM 0 HB2 GLU A 851 3.572 -4.819 7.000 1.00 25.00 H new ATOM 0 HB3 GLU A 851 5.059 -5.475 7.656 1.00 25.00 H new ATOM 0 HG2 GLU A 851 6.143 -5.303 5.467 1.00 25.00 H new ATOM 0 HG3 GLU A 851 4.647 -4.746 4.742 1.00 25.00 H new ATOM 1712 N LEU A 852 3.996 -7.376 4.033 1.00 25.00 N ATOM 1713 CA LEU A 852 3.455 -7.523 2.682 1.00 25.00 C ATOM 1714 C LEU A 852 3.548 -8.977 2.207 1.00 25.00 C ATOM 1715 O LEU A 852 4.441 -9.337 1.448 1.00 25.00 O ATOM 1716 CB LEU A 852 4.195 -6.629 1.655 1.00 25.00 C ATOM 1717 CG LEU A 852 4.585 -5.223 2.121 1.00 25.00 C ATOM 1718 CD1 LEU A 852 5.547 -4.557 1.199 1.00 25.00 C ATOM 1719 CD2 LEU A 852 3.383 -4.328 2.398 1.00 25.00 C ATOM 0 H LEU A 852 4.969 -7.669 4.124 1.00 25.00 H new ATOM 0 HA LEU A 852 2.412 -7.211 2.738 1.00 25.00 H new ATOM 0 HB2 LEU A 852 5.102 -7.148 1.343 1.00 25.00 H new ATOM 0 HB3 LEU A 852 3.564 -6.532 0.772 1.00 25.00 H new ATOM 0 HG LEU A 852 5.095 -5.372 3.073 1.00 25.00 H new ATOM 0 HD11 LEU A 852 5.788 -3.564 1.579 1.00 25.00 H new ATOM 0 HD12 LEU A 852 6.459 -5.151 1.133 1.00 25.00 H new ATOM 0 HD13 LEU A 852 5.100 -4.468 0.209 1.00 25.00 H new ATOM 0 HD21 LEU A 852 3.728 -3.347 2.724 1.00 25.00 H new ATOM 0 HD22 LEU A 852 2.792 -4.221 1.489 1.00 25.00 H new ATOM 0 HD23 LEU A 852 2.769 -4.775 3.180 1.00 25.00 H new ATOM 1731 N PRO A 853 2.607 -9.836 2.619 1.00 25.00 N ATOM 1732 CA PRO A 853 2.625 -11.116 1.893 1.00 25.00 C ATOM 1733 C PRO A 853 2.331 -11.086 0.340 1.00 25.00 C ATOM 1734 O PRO A 853 2.745 -12.014 -0.356 1.00 25.00 O ATOM 1735 CB PRO A 853 1.584 -11.949 2.653 1.00 25.00 C ATOM 1736 CG PRO A 853 0.658 -10.947 3.263 1.00 25.00 C ATOM 1737 CD PRO A 853 1.513 -9.766 3.612 1.00 25.00 C ATOM 0 HA PRO A 853 3.639 -11.516 1.886 1.00 25.00 H new ATOM 0 HB2 PRO A 853 1.051 -12.622 1.982 1.00 25.00 H new ATOM 0 HB3 PRO A 853 2.055 -12.568 3.417 1.00 25.00 H new ATOM 0 HG2 PRO A 853 -0.131 -10.667 2.565 1.00 25.00 H new ATOM 0 HG3 PRO A 853 0.170 -11.353 4.149 1.00 25.00 H new ATOM 0 HD2 PRO A 853 0.959 -8.831 3.535 1.00 25.00 H new ATOM 0 HD3 PRO A 853 1.891 -9.830 4.632 1.00 25.00 H new ATOM 1745 N PRO A 854 1.622 -10.058 -0.218 1.00 25.00 N ATOM 1746 CA PRO A 854 1.356 -10.066 -1.665 1.00 25.00 C ATOM 1747 C PRO A 854 2.475 -9.609 -2.609 1.00 25.00 C ATOM 1748 O PRO A 854 3.611 -9.387 -2.200 1.00 25.00 O ATOM 1749 CB PRO A 854 0.226 -9.049 -1.762 1.00 25.00 C ATOM 1750 CG PRO A 854 0.524 -8.110 -0.787 1.00 25.00 C ATOM 1751 CD PRO A 854 0.980 -8.861 0.362 1.00 25.00 C ATOM 0 HA PRO A 854 1.178 -11.092 -1.987 1.00 25.00 H new ATOM 0 HB2 PRO A 854 0.184 -8.595 -2.752 1.00 25.00 H new ATOM 0 HB3 PRO A 854 -0.744 -9.514 -1.583 1.00 25.00 H new ATOM 0 HG2 PRO A 854 1.293 -7.419 -1.132 1.00 25.00 H new ATOM 0 HG3 PRO A 854 -0.353 -7.512 -0.540 1.00 25.00 H new ATOM 0 HD2 PRO A 854 1.683 -8.283 0.962 1.00 25.00 H new ATOM 0 HD3 PRO A 854 0.151 -9.131 1.016 1.00 25.00 H new ATOM 1759 N ASP A 855 2.101 -9.443 -3.879 1.00 25.00 N ATOM 1760 CA ASP A 855 2.985 -8.961 -4.959 1.00 25.00 C ATOM 1761 C ASP A 855 3.707 -7.659 -4.586 1.00 25.00 C ATOM 1762 O ASP A 855 4.780 -7.356 -5.094 1.00 25.00 O ATOM 1763 CB ASP A 855 2.162 -8.653 -6.227 1.00 25.00 C ATOM 1764 CG ASP A 855 1.528 -9.893 -6.867 1.00 25.00 C ATOM 1765 OD1 ASP A 855 1.343 -10.926 -6.195 1.00 25.00 O ATOM 1766 OD2 ASP A 855 1.182 -9.801 -8.068 1.00 25.00 O ATOM 0 H ASP A 855 1.154 -9.643 -4.200 1.00 25.00 H new ATOM 0 HA ASP A 855 3.713 -9.755 -5.127 1.00 25.00 H new ATOM 0 HB2 ASP A 855 1.375 -7.943 -5.975 1.00 25.00 H new ATOM 0 HB3 ASP A 855 2.807 -8.167 -6.959 1.00 25.00 H new ATOM 1771 N GLN A 856 3.121 -6.887 -3.687 1.00 25.00 N ATOM 1772 CA GLN A 856 3.735 -5.650 -3.236 1.00 25.00 C ATOM 1773 C GLN A 856 5.123 -5.877 -2.644 1.00 25.00 C ATOM 1774 O GLN A 856 5.988 -5.011 -2.748 1.00 25.00 O ATOM 1775 CB GLN A 856 2.853 -4.962 -2.204 1.00 25.00 C ATOM 1776 CG GLN A 856 1.685 -4.203 -2.822 1.00 25.00 C ATOM 1777 CD GLN A 856 0.387 -4.987 -2.863 1.00 25.00 C ATOM 1778 OE1 GLN A 856 0.356 -6.162 -3.184 1.00 25.00 O ATOM 1779 NE2 GLN A 856 -0.687 -4.339 -2.526 1.00 25.00 N ATOM 0 H GLN A 856 2.221 -7.095 -3.255 1.00 25.00 H new ATOM 0 HA GLN A 856 3.843 -5.013 -4.114 1.00 25.00 H new ATOM 0 HB2 GLN A 856 2.466 -5.709 -1.511 1.00 25.00 H new ATOM 0 HB3 GLN A 856 3.460 -4.269 -1.621 1.00 25.00 H new ATOM 0 HG2 GLN A 856 1.524 -3.284 -2.258 1.00 25.00 H new ATOM 0 HG3 GLN A 856 1.952 -3.911 -3.838 1.00 25.00 H new ATOM 0 HE21 GLN A 856 -0.628 -3.355 -2.262 1.00 25.00 H new ATOM 0 HE22 GLN A 856 -1.590 -4.814 -2.525 1.00 25.00 H new ATOM 1788 N ALA A 857 5.357 -7.031 -2.037 1.00 25.00 N ATOM 1789 CA ALA A 857 6.664 -7.305 -1.463 1.00 25.00 C ATOM 1790 C ALA A 857 7.721 -7.335 -2.557 1.00 25.00 C ATOM 1791 O ALA A 857 8.763 -6.716 -2.418 1.00 25.00 O ATOM 1792 CB ALA A 857 6.662 -8.622 -0.710 1.00 25.00 C ATOM 0 H ALA A 857 4.673 -7.780 -1.930 1.00 25.00 H new ATOM 0 HA ALA A 857 6.899 -6.507 -0.758 1.00 25.00 H new ATOM 0 HB1 ALA A 857 7.652 -8.803 -0.291 1.00 25.00 H new ATOM 0 HB2 ALA A 857 5.929 -8.579 0.095 1.00 25.00 H new ATOM 0 HB3 ALA A 857 6.404 -9.431 -1.393 1.00 25.00 H new ATOM 1798 N GLU A 858 7.469 -8.059 -3.637 1.00 25.00 N ATOM 1799 CA GLU A 858 8.470 -8.172 -4.693 1.00 25.00 C ATOM 1800 C GLU A 858 8.633 -6.868 -5.437 1.00 25.00 C ATOM 1801 O GLU A 858 9.725 -6.511 -5.842 1.00 25.00 O ATOM 1802 CB GLU A 858 8.168 -9.311 -5.657 1.00 25.00 C ATOM 1803 CG GLU A 858 6.788 -9.379 -6.252 1.00 25.00 C ATOM 1804 CD GLU A 858 6.656 -10.579 -7.178 1.00 25.00 C ATOM 1805 OE1 GLU A 858 6.671 -11.725 -6.673 1.00 25.00 O ATOM 1806 OE2 GLU A 858 6.554 -10.382 -8.409 1.00 25.00 O ATOM 0 H GLU A 858 6.601 -8.568 -3.806 1.00 25.00 H new ATOM 0 HA GLU A 858 9.415 -8.407 -4.203 1.00 25.00 H new ATOM 0 HB2 GLU A 858 8.884 -9.254 -6.477 1.00 25.00 H new ATOM 0 HB3 GLU A 858 8.354 -10.250 -5.135 1.00 25.00 H new ATOM 0 HG2 GLU A 858 6.047 -9.446 -5.456 1.00 25.00 H new ATOM 0 HG3 GLU A 858 6.580 -8.463 -6.805 1.00 25.00 H new ATOM 1813 N TYR A 859 7.538 -6.149 -5.581 1.00 25.00 N ATOM 1814 CA TYR A 859 7.569 -4.799 -6.167 1.00 25.00 C ATOM 1815 C TYR A 859 8.558 -3.927 -5.382 1.00 25.00 C ATOM 1816 O TYR A 859 9.452 -3.298 -5.964 1.00 25.00 O ATOM 1817 CB TYR A 859 6.156 -4.175 -6.174 1.00 25.00 C ATOM 1818 CG TYR A 859 6.064 -2.732 -5.667 1.00 25.00 C ATOM 1819 CD1 TYR A 859 6.707 -1.675 -6.344 1.00 25.00 C ATOM 1820 CD2 TYR A 859 5.326 -2.419 -4.503 1.00 25.00 C ATOM 1821 CE1 TYR A 859 6.604 -0.337 -5.870 1.00 25.00 C ATOM 1822 CE2 TYR A 859 5.209 -1.081 -4.044 1.00 25.00 C ATOM 1823 CZ TYR A 859 5.839 -0.052 -4.734 1.00 25.00 C ATOM 1824 OH TYR A 859 5.696 1.236 -4.279 1.00 25.00 O ATOM 0 H TYR A 859 6.609 -6.466 -5.304 1.00 25.00 H new ATOM 0 HA TYR A 859 7.902 -4.862 -7.203 1.00 25.00 H new ATOM 0 HB2 TYR A 859 5.769 -4.208 -7.193 1.00 25.00 H new ATOM 0 HB3 TYR A 859 5.501 -4.797 -5.564 1.00 25.00 H new ATOM 0 HD1 TYR A 859 7.284 -1.883 -7.233 1.00 25.00 H new ATOM 0 HD2 TYR A 859 4.842 -3.212 -3.953 1.00 25.00 H new ATOM 0 HE1 TYR A 859 7.117 0.460 -6.388 1.00 25.00 H new ATOM 0 HE2 TYR A 859 4.630 -0.862 -3.159 1.00 25.00 H new ATOM 0 HH TYR A 859 5.566 1.839 -5.040 1.00 25.00 H new ATOM 1834 N CYS A 860 8.411 -3.907 -4.067 1.00 25.00 N ATOM 1835 CA CYS A 860 9.296 -3.137 -3.207 1.00 25.00 C ATOM 1836 C CYS A 860 10.723 -3.663 -3.287 1.00 25.00 C ATOM 1837 O CYS A 860 11.657 -2.887 -3.388 1.00 25.00 O ATOM 1838 CB CYS A 860 8.816 -3.209 -1.758 1.00 25.00 C ATOM 1839 SG CYS A 860 7.241 -2.383 -1.461 1.00 25.00 S ATOM 0 H CYS A 860 7.682 -4.419 -3.569 1.00 25.00 H new ATOM 0 HA CYS A 860 9.280 -2.102 -3.549 1.00 25.00 H new ATOM 0 HB2 CYS A 860 8.725 -4.256 -1.468 1.00 25.00 H new ATOM 0 HB3 CYS A 860 9.574 -2.765 -1.113 1.00 25.00 H new ATOM 0 HG CYS A 860 6.619 -2.216 -2.590 1.00 25.00 H new ATOM 1845 N ILE A 861 10.883 -4.980 -3.251 1.00 25.00 N ATOM 1846 CA ILE A 861 12.203 -5.624 -3.281 1.00 25.00 C ATOM 1847 C ILE A 861 12.944 -5.262 -4.561 1.00 25.00 C ATOM 1848 O ILE A 861 14.139 -4.984 -4.540 1.00 25.00 O ATOM 1849 CB ILE A 861 12.046 -7.186 -3.174 1.00 25.00 C ATOM 1850 CG1 ILE A 861 11.748 -7.567 -1.712 1.00 25.00 C ATOM 1851 CG2 ILE A 861 13.296 -7.939 -3.715 1.00 25.00 C ATOM 1852 CD1 ILE A 861 11.179 -8.976 -1.509 1.00 25.00 C ATOM 0 H ILE A 861 10.105 -5.638 -3.200 1.00 25.00 H new ATOM 0 HA ILE A 861 12.782 -5.266 -2.430 1.00 25.00 H new ATOM 0 HB ILE A 861 11.210 -7.494 -3.803 1.00 25.00 H new ATOM 0 HG12 ILE A 861 12.668 -7.477 -1.135 1.00 25.00 H new ATOM 0 HG13 ILE A 861 11.043 -6.845 -1.301 1.00 25.00 H new ATOM 0 HG21 ILE A 861 13.142 -9.014 -3.621 1.00 25.00 H new ATOM 0 HG22 ILE A 861 13.448 -7.685 -4.764 1.00 25.00 H new ATOM 0 HG23 ILE A 861 14.174 -7.646 -3.140 1.00 25.00 H new ATOM 0 HD11 ILE A 861 11.003 -9.148 -0.447 1.00 25.00 H new ATOM 0 HD12 ILE A 861 10.239 -9.070 -2.052 1.00 25.00 H new ATOM 0 HD13 ILE A 861 11.890 -9.713 -1.883 1.00 25.00 H new ATOM 1864 N ALA A 862 12.222 -5.260 -5.668 1.00 25.00 N ATOM 1865 CA ALA A 862 12.796 -4.977 -6.973 1.00 25.00 C ATOM 1866 C ALA A 862 13.319 -3.546 -7.053 1.00 25.00 C ATOM 1867 O ALA A 862 14.355 -3.283 -7.648 1.00 25.00 O ATOM 1868 CB ALA A 862 11.732 -5.206 -8.040 1.00 25.00 C ATOM 0 H ALA A 862 11.221 -5.455 -5.688 1.00 25.00 H new ATOM 0 HA ALA A 862 13.641 -5.645 -7.137 1.00 25.00 H new ATOM 0 HB1 ALA A 862 12.152 -4.996 -9.024 1.00 25.00 H new ATOM 0 HB2 ALA A 862 11.396 -6.242 -8.002 1.00 25.00 H new ATOM 0 HB3 ALA A 862 10.886 -4.543 -7.858 1.00 25.00 H new ATOM 1874 N ARG A 863 12.589 -2.617 -6.458 1.00 25.00 N ATOM 1875 CA ARG A 863 12.984 -1.214 -6.480 1.00 25.00 C ATOM 1876 C ARG A 863 13.970 -0.878 -5.372 1.00 25.00 C ATOM 1877 O ARG A 863 14.539 0.203 -5.361 1.00 25.00 O ATOM 1878 CB ARG A 863 11.744 -0.321 -6.388 1.00 25.00 C ATOM 1879 CG ARG A 863 11.095 -0.125 -7.720 1.00 25.00 C ATOM 1880 CD ARG A 863 9.658 -0.558 -7.702 1.00 25.00 C ATOM 1881 NE ARG A 863 8.877 0.209 -8.685 1.00 25.00 N ATOM 1882 CZ ARG A 863 8.418 1.445 -8.509 1.00 25.00 C ATOM 1883 NH1 ARG A 863 8.607 2.131 -7.409 1.00 25.00 N ATOM 1884 NH2 ARG A 863 7.749 2.008 -9.469 1.00 25.00 N ATOM 0 H ARG A 863 11.722 -2.806 -5.955 1.00 25.00 H new ATOM 0 HA ARG A 863 13.493 -1.028 -7.426 1.00 25.00 H new ATOM 0 HB2 ARG A 863 11.027 -0.766 -5.698 1.00 25.00 H new ATOM 0 HB3 ARG A 863 12.025 0.648 -5.975 1.00 25.00 H new ATOM 0 HG2 ARG A 863 11.156 0.926 -8.004 1.00 25.00 H new ATOM 0 HG3 ARG A 863 11.637 -0.692 -8.477 1.00 25.00 H new ATOM 0 HD2 ARG A 863 9.590 -1.623 -7.925 1.00 25.00 H new ATOM 0 HD3 ARG A 863 9.241 -0.414 -6.705 1.00 25.00 H new ATOM 0 HE ARG A 863 8.670 -0.244 -9.575 1.00 25.00 H new ATOM 0 HH11 ARG A 863 9.128 1.720 -6.635 1.00 25.00 H new ATOM 0 HH12 ARG A 863 8.233 3.076 -7.327 1.00 25.00 H new ATOM 0 HH21 ARG A 863 7.583 1.503 -10.340 1.00 25.00 H new ATOM 0 HH22 ARG A 863 7.389 2.955 -9.352 1.00 25.00 H new ATOM 1898 N MET A 864 14.181 -1.785 -4.438 1.00 25.00 N ATOM 1899 CA MET A 864 15.087 -1.517 -3.334 1.00 25.00 C ATOM 1900 C MET A 864 16.546 -1.714 -3.745 1.00 25.00 C ATOM 1901 O MET A 864 16.845 -2.485 -4.647 1.00 25.00 O ATOM 1902 CB MET A 864 14.726 -2.370 -2.139 1.00 25.00 C ATOM 1903 CG MET A 864 14.863 -1.620 -0.840 1.00 25.00 C ATOM 1904 SD MET A 864 13.741 -2.200 0.415 1.00 25.00 S ATOM 1905 CE MET A 864 12.227 -1.299 0.030 1.00 25.00 C ATOM 0 H MET A 864 13.743 -2.706 -4.419 1.00 25.00 H new ATOM 0 HA MET A 864 14.977 -0.470 -3.050 1.00 25.00 H new ATOM 0 HB2 MET A 864 13.701 -2.725 -2.245 1.00 25.00 H new ATOM 0 HB3 MET A 864 15.368 -3.251 -2.117 1.00 25.00 H new ATOM 0 HG2 MET A 864 15.887 -1.715 -0.477 1.00 25.00 H new ATOM 0 HG3 MET A 864 14.685 -0.559 -1.018 1.00 25.00 H new ATOM 0 HE1 MET A 864 11.449 -1.573 0.742 1.00 25.00 H new ATOM 0 HE2 MET A 864 12.415 -0.227 0.093 1.00 25.00 H new ATOM 0 HE3 MET A 864 11.900 -1.551 -0.979 1.00 25.00 H new ATOM 1915 N ALA A 865 17.460 -0.998 -3.100 1.00 25.00 N ATOM 1916 CA ALA A 865 18.861 -1.049 -3.504 1.00 25.00 C ATOM 1917 C ALA A 865 19.507 -2.378 -3.067 1.00 25.00 C ATOM 1918 O ALA A 865 19.237 -2.869 -1.986 1.00 25.00 O ATOM 1919 CB ALA A 865 19.623 0.157 -2.938 1.00 25.00 C ATOM 0 H ALA A 865 17.262 -0.385 -2.309 1.00 25.00 H new ATOM 0 HA ALA A 865 18.913 -1.000 -4.592 1.00 25.00 H new ATOM 0 HB1 ALA A 865 20.667 0.106 -3.247 1.00 25.00 H new ATOM 0 HB2 ALA A 865 19.178 1.078 -3.314 1.00 25.00 H new ATOM 0 HB3 ALA A 865 19.566 0.145 -1.850 1.00 25.00 H new ATOM 1925 N PRO A 866 20.359 -2.972 -3.917 1.00 25.00 N ATOM 1926 CA PRO A 866 20.975 -4.289 -3.717 1.00 25.00 C ATOM 1927 C PRO A 866 22.129 -4.313 -2.723 1.00 25.00 C ATOM 1928 O PRO A 866 23.284 -4.048 -3.062 1.00 25.00 O ATOM 1929 CB PRO A 866 21.452 -4.647 -5.120 1.00 25.00 C ATOM 1930 CG PRO A 866 21.797 -3.335 -5.735 1.00 25.00 C ATOM 1931 CD PRO A 866 20.779 -2.374 -5.192 1.00 25.00 C ATOM 0 HA PRO A 866 20.267 -4.992 -3.278 1.00 25.00 H new ATOM 0 HB2 PRO A 866 22.315 -5.312 -5.090 1.00 25.00 H new ATOM 0 HB3 PRO A 866 20.675 -5.160 -5.686 1.00 25.00 H new ATOM 0 HG2 PRO A 866 22.809 -3.029 -5.471 1.00 25.00 H new ATOM 0 HG3 PRO A 866 21.752 -3.385 -6.823 1.00 25.00 H new ATOM 0 HD2 PRO A 866 21.207 -1.382 -5.044 1.00 25.00 H new ATOM 0 HD3 PRO A 866 19.937 -2.259 -5.874 1.00 25.00 H new ATOM 1939 N TYR A 867 21.820 -4.643 -1.485 1.00 25.00 N ATOM 1940 CA TYR A 867 22.845 -4.711 -0.450 1.00 25.00 C ATOM 1941 C TYR A 867 23.422 -6.108 -0.273 1.00 25.00 C ATOM 1942 O TYR A 867 22.719 -7.068 0.025 1.00 25.00 O ATOM 1943 CB TYR A 867 22.289 -4.185 0.861 1.00 25.00 C ATOM 1944 CG TYR A 867 22.738 -2.774 1.134 1.00 25.00 C ATOM 1945 CD1 TYR A 867 22.775 -1.797 0.098 1.00 25.00 C ATOM 1946 CD2 TYR A 867 23.146 -2.396 2.431 1.00 25.00 C ATOM 1947 CE1 TYR A 867 23.230 -0.475 0.375 1.00 25.00 C ATOM 1948 CE2 TYR A 867 23.593 -1.084 2.699 1.00 25.00 C ATOM 1949 CZ TYR A 867 23.629 -0.137 1.677 1.00 25.00 C ATOM 1950 OH TYR A 867 24.048 1.136 1.963 1.00 25.00 O ATOM 0 H TYR A 867 20.877 -4.867 -1.168 1.00 25.00 H new ATOM 0 HA TYR A 867 23.673 -4.081 -0.774 1.00 25.00 H new ATOM 0 HB2 TYR A 867 21.200 -4.221 0.834 1.00 25.00 H new ATOM 0 HB3 TYR A 867 22.609 -4.832 1.677 1.00 25.00 H new ATOM 0 HD1 TYR A 867 22.457 -2.059 -0.900 1.00 25.00 H new ATOM 0 HD2 TYR A 867 23.116 -3.121 3.231 1.00 25.00 H new ATOM 0 HE1 TYR A 867 23.267 0.263 -0.413 1.00 25.00 H new ATOM 0 HE2 TYR A 867 23.907 -0.814 3.696 1.00 25.00 H new ATOM 0 HH TYR A 867 23.277 1.740 1.971 1.00 25.00 H new ATOM 2048 N GLY A 875 19.720 -11.620 0.621 1.00 25.00 N ATOM 2049 CA GLY A 875 18.395 -11.030 0.645 1.00 25.00 C ATOM 2050 C GLY A 875 18.343 -9.783 1.516 1.00 25.00 C ATOM 2051 O GLY A 875 17.407 -9.604 2.283 1.00 25.00 O ATOM 0 HA2 GLY A 875 18.093 -10.776 -0.371 1.00 25.00 H new ATOM 0 HA3 GLY A 875 17.678 -11.762 1.017 1.00 25.00 H new ATOM 2055 N ALA A 876 19.347 -8.927 1.396 1.00 25.00 N ATOM 2056 CA ALA A 876 19.423 -7.667 2.127 1.00 25.00 C ATOM 2057 C ALA A 876 19.296 -6.540 1.107 1.00 25.00 C ATOM 2058 O ALA A 876 19.840 -6.631 0.007 1.00 25.00 O ATOM 2059 CB ALA A 876 20.755 -7.563 2.869 1.00 25.00 C ATOM 0 H ALA A 876 20.144 -9.089 0.780 1.00 25.00 H new ATOM 0 HA ALA A 876 18.626 -7.605 2.868 1.00 25.00 H new ATOM 0 HB1 ALA A 876 20.797 -6.618 3.410 1.00 25.00 H new ATOM 0 HB2 ALA A 876 20.844 -8.389 3.575 1.00 25.00 H new ATOM 0 HB3 ALA A 876 21.575 -7.608 2.152 1.00 25.00 H new ATOM 2065 N LEU A 877 18.573 -5.495 1.464 1.00 25.00 N ATOM 2066 CA LEU A 877 18.380 -4.352 0.582 1.00 25.00 C ATOM 2067 C LEU A 877 18.388 -3.035 1.346 1.00 25.00 C ATOM 2068 O LEU A 877 18.046 -2.999 2.515 1.00 25.00 O ATOM 2069 CB LEU A 877 17.040 -4.479 -0.127 1.00 25.00 C ATOM 2070 CG LEU A 877 16.756 -5.754 -0.936 1.00 25.00 C ATOM 2071 CD1 LEU A 877 15.269 -5.996 -0.947 1.00 25.00 C ATOM 2072 CD2 LEU A 877 17.304 -5.653 -2.361 1.00 25.00 C ATOM 0 H LEU A 877 18.105 -5.411 2.366 1.00 25.00 H new ATOM 0 HA LEU A 877 19.205 -4.348 -0.130 1.00 25.00 H new ATOM 0 HB2 LEU A 877 16.257 -4.382 0.625 1.00 25.00 H new ATOM 0 HB3 LEU A 877 16.940 -3.629 -0.802 1.00 25.00 H new ATOM 0 HG LEU A 877 17.264 -6.595 -0.464 1.00 25.00 H new ATOM 0 HD11 LEU A 877 15.051 -6.899 -1.518 1.00 25.00 H new ATOM 0 HD12 LEU A 877 14.913 -6.119 0.076 1.00 25.00 H new ATOM 0 HD13 LEU A 877 14.765 -5.146 -1.407 1.00 25.00 H new ATOM 0 HD21 LEU A 877 17.084 -6.573 -2.902 1.00 25.00 H new ATOM 0 HD22 LEU A 877 16.836 -4.811 -2.872 1.00 25.00 H new ATOM 0 HD23 LEU A 877 18.383 -5.502 -2.326 1.00 25.00 H new ATOM 2084 N ASP A 878 18.758 -1.950 0.689 1.00 25.00 N ATOM 2085 CA ASP A 878 18.743 -0.633 1.331 1.00 25.00 C ATOM 2086 C ASP A 878 17.408 0.032 1.130 1.00 25.00 C ATOM 2087 O ASP A 878 17.067 0.479 0.036 1.00 25.00 O ATOM 2088 CB ASP A 878 19.860 0.245 0.824 1.00 25.00 C ATOM 2089 CG ASP A 878 20.114 1.427 1.736 1.00 25.00 C ATOM 2090 OD1 ASP A 878 19.154 1.876 2.396 1.00 25.00 O ATOM 2091 OD2 ASP A 878 21.256 1.920 1.792 1.00 25.00 O ATOM 0 H ASP A 878 19.071 -1.946 -0.282 1.00 25.00 H new ATOM 0 HA ASP A 878 18.903 -0.780 2.399 1.00 25.00 H new ATOM 0 HB2 ASP A 878 20.772 -0.345 0.734 1.00 25.00 H new ATOM 0 HB3 ASP A 878 19.613 0.605 -0.175 1.00 25.00 H new ATOM 2096 N TYR A 879 16.653 0.075 2.215 1.00 25.00 N ATOM 2097 CA TYR A 879 15.317 0.622 2.203 1.00 25.00 C ATOM 2098 C TYR A 879 15.332 2.140 1.968 1.00 25.00 C ATOM 2099 O TYR A 879 14.448 2.678 1.327 1.00 25.00 O ATOM 2100 CB TYR A 879 14.611 0.260 3.514 1.00 25.00 C ATOM 2101 CG TYR A 879 15.273 0.796 4.767 1.00 25.00 C ATOM 2102 CD1 TYR A 879 15.061 2.124 5.175 1.00 25.00 C ATOM 2103 CD2 TYR A 879 16.116 -0.019 5.552 1.00 25.00 C ATOM 2104 CE1 TYR A 879 15.702 2.643 6.311 1.00 25.00 C ATOM 2105 CE2 TYR A 879 16.753 0.496 6.714 1.00 25.00 C ATOM 2106 CZ TYR A 879 16.551 1.833 7.066 1.00 25.00 C ATOM 2107 OH TYR A 879 17.179 2.383 8.153 1.00 25.00 O ATOM 0 H TYR A 879 16.954 -0.270 3.127 1.00 25.00 H new ATOM 0 HA TYR A 879 14.762 0.186 1.372 1.00 25.00 H new ATOM 0 HB2 TYR A 879 13.588 0.634 3.473 1.00 25.00 H new ATOM 0 HB3 TYR A 879 14.551 -0.826 3.589 1.00 25.00 H new ATOM 0 HD1 TYR A 879 14.395 2.755 4.606 1.00 25.00 H new ATOM 0 HD2 TYR A 879 16.279 -1.048 5.266 1.00 25.00 H new ATOM 0 HE1 TYR A 879 15.538 3.670 6.601 1.00 25.00 H new ATOM 0 HE2 TYR A 879 17.385 -0.138 7.317 1.00 25.00 H new ATOM 0 HH TYR A 879 17.612 1.675 8.674 1.00 25.00 H new ATOM 2117 N MET A 880 16.337 2.824 2.503 1.00 25.00 N ATOM 2118 CA MET A 880 16.415 4.287 2.416 1.00 25.00 C ATOM 2119 C MET A 880 17.204 4.806 1.215 1.00 25.00 C ATOM 2120 O MET A 880 17.023 5.946 0.809 1.00 25.00 O ATOM 2121 CB MET A 880 16.949 4.869 3.727 1.00 25.00 C ATOM 2122 CG MET A 880 18.255 4.275 4.196 1.00 25.00 C ATOM 2123 SD MET A 880 18.726 4.861 5.835 1.00 25.00 S ATOM 2124 CE MET A 880 20.147 3.806 6.137 1.00 25.00 C ATOM 0 H MET A 880 17.114 2.392 3.004 1.00 25.00 H new ATOM 0 HA MET A 880 15.395 4.635 2.253 1.00 25.00 H new ATOM 0 HB2 MET A 880 17.078 5.944 3.605 1.00 25.00 H new ATOM 0 HB3 MET A 880 16.199 4.724 4.505 1.00 25.00 H new ATOM 0 HG2 MET A 880 18.172 3.188 4.211 1.00 25.00 H new ATOM 0 HG3 MET A 880 19.041 4.525 3.484 1.00 25.00 H new ATOM 0 HE1 MET A 880 20.568 4.034 7.116 1.00 25.00 H new ATOM 0 HE2 MET A 880 19.837 2.761 6.110 1.00 25.00 H new ATOM 0 HE3 MET A 880 20.900 3.981 5.369 1.00 25.00 H new ATOM 2134 N SER A 881 18.063 3.972 0.644 1.00 25.00 N ATOM 2135 CA SER A 881 18.840 4.357 -0.544 1.00 25.00 C ATOM 2136 C SER A 881 18.340 3.594 -1.763 1.00 25.00 C ATOM 2137 O SER A 881 19.053 3.451 -2.761 1.00 25.00 O ATOM 2138 CB SER A 881 20.334 4.107 -0.334 1.00 25.00 C ATOM 2139 OG SER A 881 21.096 4.709 -1.369 1.00 25.00 O ATOM 0 H SER A 881 18.245 3.025 0.977 1.00 25.00 H new ATOM 0 HA SER A 881 18.701 5.425 -0.711 1.00 25.00 H new ATOM 0 HB2 SER A 881 20.642 4.508 0.631 1.00 25.00 H new ATOM 0 HB3 SER A 881 20.528 3.035 -0.310 1.00 25.00 H new ATOM 0 HG SER A 881 20.661 4.546 -2.232 1.00 25.00 H new ATOM 2145 N PHE A 882 17.115 3.099 -1.661 1.00 25.00 N ATOM 2146 CA PHE A 882 16.442 2.404 -2.762 1.00 25.00 C ATOM 2147 C PHE A 882 16.498 3.126 -4.119 1.00 25.00 C ATOM 2148 O PHE A 882 16.687 4.341 -4.216 1.00 25.00 O ATOM 2149 CB PHE A 882 14.976 2.135 -2.382 1.00 25.00 C ATOM 2150 CG PHE A 882 14.064 3.323 -2.551 1.00 25.00 C ATOM 2151 CD1 PHE A 882 14.018 4.346 -1.586 1.00 25.00 C ATOM 2152 CD2 PHE A 882 13.227 3.412 -3.686 1.00 25.00 C ATOM 2153 CE1 PHE A 882 13.144 5.452 -1.745 1.00 25.00 C ATOM 2154 CE2 PHE A 882 12.352 4.514 -3.855 1.00 25.00 C ATOM 2155 CZ PHE A 882 12.310 5.534 -2.879 1.00 25.00 C ATOM 0 H PHE A 882 16.554 3.165 -0.812 1.00 25.00 H new ATOM 0 HA PHE A 882 16.995 1.475 -2.902 1.00 25.00 H new ATOM 0 HB2 PHE A 882 14.600 1.313 -2.991 1.00 25.00 H new ATOM 0 HB3 PHE A 882 14.936 1.806 -1.344 1.00 25.00 H new ATOM 0 HD1 PHE A 882 14.655 4.289 -0.715 1.00 25.00 H new ATOM 0 HD2 PHE A 882 13.254 2.632 -4.433 1.00 25.00 H new ATOM 0 HE1 PHE A 882 13.117 6.231 -0.998 1.00 25.00 H new ATOM 0 HE2 PHE A 882 11.719 4.574 -4.728 1.00 25.00 H new ATOM 0 HZ PHE A 882 11.642 6.374 -3.001 1.00 25.00 H new