USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 482 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 NoAdj-H: A 925 HIS HE2 : A 925 HIS NE2 : A1085 ZNZN :(H bumps) USER MOD Single : A 886 SER OG : rot 180:sc= 0 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 889 SER OG : rot 71:sc= 0.695 USER MOD Single : A 890 SER OG : rot 180:sc= 0 USER MOD Single : A 892 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.029) USER MOD Single : A 893 TYR OH : rot 180:sc= 0 USER MOD Single : A 894 CYS SG : rot 43:sc= -0.244 USER MOD Single : A 896 GLN : amide:sc= -0.0171 K(o=-0.017,f=-1.6!) USER MOD Single : A 897 HIS : no HD1:sc= -2.4! C(o=-2.4!,f=-2.3!) USER MOD Single : A 901 THR OG1 : rot 122:sc= -0.148 USER MOD Single : A 903 TYR OH : rot 180:sc= 0 USER MOD Single : A 905 SER OG : rot 180:sc= -0.0194 USER MOD Single : A 910 TYR OH : rot 180:sc= 0 USER MOD Single : A 911 MET CE :methyl 163:sc= -0.668 (180deg=-0.718) USER MOD Single : A 912 ASN : amide:sc= 0.25 X(o=0.25,f=-0.23) USER MOD Single : A 914 THR OG1 : rot 180:sc= 0 USER MOD Single : A 919 ASN : amide:sc= -0.719 K(o=-0.72,f=-0.019) USER MOD Single : A 920 SER OG : rot 180:sc= 0 USER MOD Single : A 922 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 927 ASN : amide:sc= -0.349 K(o=-0.35,f=-8.6!) USER MOD Single : A 931 HIS : no HD1:sc= -4.29! C(o=-4.3!,f=-3.6!) USER MOD Single : A 941 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.556) USER MOD Single : A 942 MET CE :methyl 171:sc= -2.66! (180deg=-3.05!) USER MOD Single : A 943 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 945 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 946 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 948 SER OG : rot 180:sc= 0 USER MOD Single : A 951 SER OG : rot 180:sc= 0 USER MOD Single : A 952 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 885 -11.487 -13.979 -20.014 1.00 0.00 N ATOM 2 CA GLY A 885 -12.086 -12.824 -20.658 1.00 0.00 C ATOM 3 C GLY A 885 -11.464 -11.519 -20.203 1.00 0.00 C ATOM 4 O GLY A 885 -10.575 -11.511 -19.352 1.00 0.00 O ATOM 0 HA2 GLY A 885 -11.977 -12.917 -21.739 1.00 0.00 H new ATOM 0 HA3 GLY A 885 -13.155 -12.807 -20.445 1.00 0.00 H new ATOM 8 N SER A 886 -11.933 -10.412 -20.771 1.00 0.00 N ATOM 9 CA SER A 886 -11.414 -9.095 -20.421 1.00 0.00 C ATOM 10 C SER A 886 -12.511 -8.220 -19.824 1.00 0.00 C ATOM 11 O SER A 886 -13.686 -8.356 -20.167 1.00 0.00 O ATOM 12 CB SER A 886 -10.819 -8.415 -21.656 1.00 0.00 C ATOM 13 OG SER A 886 -9.623 -9.056 -22.064 1.00 0.00 O ATOM 0 H SER A 886 -12.671 -10.401 -21.475 1.00 0.00 H new ATOM 0 HA SER A 886 -10.631 -9.226 -19.674 1.00 0.00 H new ATOM 0 HB2 SER A 886 -11.543 -8.436 -22.471 1.00 0.00 H new ATOM 0 HB3 SER A 886 -10.617 -7.367 -21.436 1.00 0.00 H new ATOM 0 HG SER A 886 -9.263 -8.604 -22.856 1.00 0.00 H new ATOM 19 N SER A 887 -12.119 -7.320 -18.928 1.00 0.00 N ATOM 20 CA SER A 887 -13.069 -6.424 -18.278 1.00 0.00 C ATOM 21 C SER A 887 -12.748 -4.967 -18.600 1.00 0.00 C ATOM 22 O SER A 887 -12.815 -4.099 -17.731 1.00 0.00 O ATOM 23 CB SER A 887 -13.053 -6.639 -16.764 1.00 0.00 C ATOM 24 OG SER A 887 -13.513 -7.937 -16.428 1.00 0.00 O ATOM 0 H SER A 887 -11.150 -7.192 -18.635 1.00 0.00 H new ATOM 0 HA SER A 887 -14.065 -6.652 -18.659 1.00 0.00 H new ATOM 0 HB2 SER A 887 -12.041 -6.499 -16.384 1.00 0.00 H new ATOM 0 HB3 SER A 887 -13.681 -5.891 -16.281 1.00 0.00 H new ATOM 0 HG SER A 887 -13.491 -8.050 -15.455 1.00 0.00 H new ATOM 30 N GLY A 888 -12.399 -4.708 -19.856 1.00 0.00 N ATOM 31 CA GLY A 888 -12.073 -3.356 -20.272 1.00 0.00 C ATOM 32 C GLY A 888 -12.905 -2.312 -19.554 1.00 0.00 C ATOM 33 O GLY A 888 -14.123 -2.449 -19.442 1.00 0.00 O ATOM 0 H GLY A 888 -12.336 -5.410 -20.593 1.00 0.00 H new ATOM 0 HA2 GLY A 888 -11.016 -3.166 -20.084 1.00 0.00 H new ATOM 0 HA3 GLY A 888 -12.227 -3.263 -21.347 1.00 0.00 H new ATOM 37 N SER A 889 -12.247 -1.266 -19.065 1.00 0.00 N ATOM 38 CA SER A 889 -12.933 -0.197 -18.350 1.00 0.00 C ATOM 39 C SER A 889 -12.210 1.133 -18.536 1.00 0.00 C ATOM 40 O SER A 889 -11.139 1.191 -19.139 1.00 0.00 O ATOM 41 CB SER A 889 -13.032 -0.533 -16.860 1.00 0.00 C ATOM 42 OG SER A 889 -13.907 -1.626 -16.641 1.00 0.00 O ATOM 0 H SER A 889 -11.239 -1.136 -19.151 1.00 0.00 H new ATOM 0 HA SER A 889 -13.938 -0.105 -18.762 1.00 0.00 H new ATOM 0 HB2 SER A 889 -12.042 -0.772 -16.471 1.00 0.00 H new ATOM 0 HB3 SER A 889 -13.389 0.338 -16.310 1.00 0.00 H new ATOM 0 HG SER A 889 -13.487 -2.451 -16.962 1.00 0.00 H new ATOM 48 N SER A 890 -12.804 2.201 -18.013 1.00 0.00 N ATOM 49 CA SER A 890 -12.219 3.532 -18.124 1.00 0.00 C ATOM 50 C SER A 890 -11.517 3.927 -16.828 1.00 0.00 C ATOM 51 O SER A 890 -10.562 4.703 -16.838 1.00 0.00 O ATOM 52 CB SER A 890 -13.300 4.560 -18.464 1.00 0.00 C ATOM 53 OG SER A 890 -13.893 4.280 -19.720 1.00 0.00 O ATOM 0 H SER A 890 -13.690 2.170 -17.508 1.00 0.00 H new ATOM 0 HA SER A 890 -11.481 3.512 -18.926 1.00 0.00 H new ATOM 0 HB2 SER A 890 -14.066 4.557 -17.688 1.00 0.00 H new ATOM 0 HB3 SER A 890 -12.864 5.559 -18.479 1.00 0.00 H new ATOM 0 HG SER A 890 -14.582 4.950 -19.913 1.00 0.00 H new ATOM 59 N GLY A 891 -11.997 3.385 -15.713 1.00 0.00 N ATOM 60 CA GLY A 891 -11.404 3.691 -14.424 1.00 0.00 C ATOM 61 C GLY A 891 -11.550 2.553 -13.433 1.00 0.00 C ATOM 62 O GLY A 891 -11.241 1.405 -13.749 1.00 0.00 O ATOM 0 H GLY A 891 -12.786 2.739 -15.679 1.00 0.00 H new ATOM 0 HA2 GLY A 891 -10.346 3.918 -14.559 1.00 0.00 H new ATOM 0 HA3 GLY A 891 -11.872 4.587 -14.016 1.00 0.00 H new ATOM 66 N GLN A 892 -12.020 2.874 -12.232 1.00 0.00 N ATOM 67 CA GLN A 892 -12.204 1.869 -11.192 1.00 0.00 C ATOM 68 C GLN A 892 -10.867 1.261 -10.780 1.00 0.00 C ATOM 69 O GLN A 892 -10.762 0.052 -10.569 1.00 0.00 O ATOM 70 CB GLN A 892 -13.150 0.769 -11.677 1.00 0.00 C ATOM 71 CG GLN A 892 -13.724 -0.079 -10.553 1.00 0.00 C ATOM 72 CD GLN A 892 -14.068 -1.486 -11.001 1.00 0.00 C ATOM 73 OE1 GLN A 892 -15.203 -1.938 -10.850 1.00 0.00 O ATOM 74 NE2 GLN A 892 -13.086 -2.188 -11.556 1.00 0.00 N ATOM 0 H GLN A 892 -12.280 3.821 -11.955 1.00 0.00 H new ATOM 0 HA GLN A 892 -12.643 2.359 -10.323 1.00 0.00 H new ATOM 0 HB2 GLN A 892 -13.970 1.225 -12.232 1.00 0.00 H new ATOM 0 HB3 GLN A 892 -12.615 0.122 -12.372 1.00 0.00 H new ATOM 0 HG2 GLN A 892 -13.004 -0.128 -9.736 1.00 0.00 H new ATOM 0 HG3 GLN A 892 -14.620 0.403 -10.161 1.00 0.00 H new ATOM 0 HE21 GLN A 892 -12.160 -1.774 -11.662 1.00 0.00 H new ATOM 0 HE22 GLN A 892 -13.258 -3.141 -11.876 1.00 0.00 H new ATOM 83 N TYR A 893 -9.848 2.106 -10.668 1.00 0.00 N ATOM 84 CA TYR A 893 -8.517 1.651 -10.284 1.00 0.00 C ATOM 85 C TYR A 893 -8.440 1.399 -8.782 1.00 0.00 C ATOM 86 O TYR A 893 -8.514 2.330 -7.979 1.00 0.00 O ATOM 87 CB TYR A 893 -7.465 2.683 -10.695 1.00 0.00 C ATOM 88 CG TYR A 893 -6.057 2.132 -10.726 1.00 0.00 C ATOM 89 CD1 TYR A 893 -5.747 1.008 -11.481 1.00 0.00 C ATOM 90 CD2 TYR A 893 -5.038 2.736 -10.000 1.00 0.00 C ATOM 91 CE1 TYR A 893 -4.462 0.501 -11.512 1.00 0.00 C ATOM 92 CE2 TYR A 893 -3.750 2.237 -10.027 1.00 0.00 C ATOM 93 CZ TYR A 893 -3.467 1.119 -10.784 1.00 0.00 C ATOM 94 OH TYR A 893 -2.186 0.618 -10.812 1.00 0.00 O ATOM 0 H TYR A 893 -9.918 3.109 -10.838 1.00 0.00 H new ATOM 0 HA TYR A 893 -8.317 0.713 -10.801 1.00 0.00 H new ATOM 0 HB2 TYR A 893 -7.716 3.072 -11.682 1.00 0.00 H new ATOM 0 HB3 TYR A 893 -7.502 3.523 -10.002 1.00 0.00 H new ATOM 0 HD1 TYR A 893 -6.523 0.522 -12.053 1.00 0.00 H new ATOM 0 HD2 TYR A 893 -5.256 3.610 -9.405 1.00 0.00 H new ATOM 0 HE1 TYR A 893 -4.238 -0.375 -12.103 1.00 0.00 H new ATOM 0 HE2 TYR A 893 -2.969 2.720 -9.458 1.00 0.00 H new ATOM 0 HH TYR A 893 -1.606 1.170 -10.246 1.00 0.00 H new ATOM 104 N CYS A 894 -8.289 0.133 -8.408 1.00 0.00 N ATOM 105 CA CYS A 894 -8.201 -0.245 -7.002 1.00 0.00 C ATOM 106 C CYS A 894 -6.756 -0.537 -6.607 1.00 0.00 C ATOM 107 O CYS A 894 -6.319 -1.687 -6.620 1.00 0.00 O ATOM 108 CB CYS A 894 -9.075 -1.470 -6.726 1.00 0.00 C ATOM 109 SG CYS A 894 -8.668 -2.919 -7.753 1.00 0.00 S ATOM 0 H CYS A 894 -8.225 -0.649 -9.059 1.00 0.00 H new ATOM 0 HA CYS A 894 -8.561 0.592 -6.403 1.00 0.00 H new ATOM 0 HB2 CYS A 894 -8.978 -1.744 -5.675 1.00 0.00 H new ATOM 0 HB3 CYS A 894 -10.119 -1.203 -6.890 1.00 0.00 H new ATOM 0 HG CYS A 894 -7.377 -3.059 -7.814 1.00 0.00 H new ATOM 114 N TRP A 895 -6.022 0.513 -6.257 1.00 0.00 N ATOM 115 CA TRP A 895 -4.626 0.369 -5.858 1.00 0.00 C ATOM 116 C TRP A 895 -4.477 0.496 -4.346 1.00 0.00 C ATOM 117 O TRP A 895 -4.227 1.584 -3.828 1.00 0.00 O ATOM 118 CB TRP A 895 -3.763 1.420 -6.558 1.00 0.00 C ATOM 119 CG TRP A 895 -4.128 2.827 -6.192 1.00 0.00 C ATOM 120 CD1 TRP A 895 -5.275 3.490 -6.526 1.00 0.00 C ATOM 121 CD2 TRP A 895 -3.341 3.745 -5.425 1.00 0.00 C ATOM 122 NE1 TRP A 895 -5.248 4.764 -6.012 1.00 0.00 N ATOM 123 CE2 TRP A 895 -4.073 4.945 -5.332 1.00 0.00 C ATOM 124 CE3 TRP A 895 -2.091 3.669 -4.806 1.00 0.00 C ATOM 125 CZ2 TRP A 895 -3.593 6.058 -4.646 1.00 0.00 C ATOM 126 CZ3 TRP A 895 -1.616 4.774 -4.126 1.00 0.00 C ATOM 127 CH2 TRP A 895 -2.366 5.955 -4.049 1.00 0.00 C ATOM 0 H TRP A 895 -6.369 1.472 -6.241 1.00 0.00 H new ATOM 0 HA TRP A 895 -4.289 -0.624 -6.156 1.00 0.00 H new ATOM 0 HB2 TRP A 895 -2.717 1.247 -6.307 1.00 0.00 H new ATOM 0 HB3 TRP A 895 -3.857 1.297 -7.637 1.00 0.00 H new ATOM 0 HD1 TRP A 895 -6.084 3.074 -7.108 1.00 0.00 H new ATOM 0 HE1 TRP A 895 -5.984 5.462 -6.119 1.00 0.00 H new ATOM 0 HE3 TRP A 895 -1.506 2.763 -4.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 895 -4.169 6.970 -4.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 895 -0.650 4.727 -3.646 1.00 0.00 H new ATOM 0 HH2 TRP A 895 -1.968 6.801 -3.508 1.00 0.00 H new ATOM 138 N GLN A 896 -4.632 -0.622 -3.644 1.00 0.00 N ATOM 139 CA GLN A 896 -4.514 -0.634 -2.191 1.00 0.00 C ATOM 140 C GLN A 896 -3.613 -1.774 -1.727 1.00 0.00 C ATOM 141 O GLN A 896 -4.038 -2.927 -1.661 1.00 0.00 O ATOM 142 CB GLN A 896 -5.895 -0.766 -1.547 1.00 0.00 C ATOM 143 CG GLN A 896 -6.829 0.390 -1.868 1.00 0.00 C ATOM 144 CD GLN A 896 -8.277 0.077 -1.548 1.00 0.00 C ATOM 145 OE1 GLN A 896 -8.617 -1.052 -1.193 1.00 0.00 O ATOM 146 NE2 GLN A 896 -9.141 1.079 -1.670 1.00 0.00 N ATOM 0 H GLN A 896 -4.840 -1.531 -4.058 1.00 0.00 H new ATOM 0 HA GLN A 896 -4.065 0.309 -1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 896 -6.354 -1.697 -1.880 1.00 0.00 H new ATOM 0 HB3 GLN A 896 -5.777 -0.838 -0.466 1.00 0.00 H new ATOM 0 HG2 GLN A 896 -6.519 1.270 -1.305 1.00 0.00 H new ATOM 0 HG3 GLN A 896 -6.741 0.641 -2.925 1.00 0.00 H new ATOM 0 HE21 GLN A 896 -8.816 1.999 -1.967 1.00 0.00 H new ATOM 0 HE22 GLN A 896 -10.129 0.928 -1.466 1.00 0.00 H new ATOM 155 N HIS A 897 -2.366 -1.443 -1.407 1.00 0.00 N ATOM 156 CA HIS A 897 -1.404 -2.439 -0.949 1.00 0.00 C ATOM 157 C HIS A 897 -0.637 -1.934 0.270 1.00 0.00 C ATOM 158 O HIS A 897 -0.844 -0.808 0.722 1.00 0.00 O ATOM 159 CB HIS A 897 -0.427 -2.790 -2.071 1.00 0.00 C ATOM 160 CG HIS A 897 -1.001 -3.720 -3.095 1.00 0.00 C ATOM 161 ND1 HIS A 897 -1.144 -5.076 -2.885 1.00 0.00 N ATOM 162 CD2 HIS A 897 -1.470 -3.483 -4.343 1.00 0.00 C ATOM 163 CE1 HIS A 897 -1.675 -5.632 -3.959 1.00 0.00 C ATOM 164 NE2 HIS A 897 -1.883 -4.687 -4.858 1.00 0.00 N ATOM 0 H HIS A 897 -1.998 -0.493 -1.456 1.00 0.00 H new ATOM 0 HA HIS A 897 -1.955 -3.335 -0.664 1.00 0.00 H new ATOM 0 HB2 HIS A 897 -0.108 -1.872 -2.564 1.00 0.00 H new ATOM 0 HB3 HIS A 897 0.463 -3.245 -1.637 1.00 0.00 H new ATOM 0 HD2 HIS A 897 -1.511 -2.525 -4.841 1.00 0.00 H new ATOM 0 HE1 HIS A 897 -1.901 -6.681 -4.081 1.00 0.00 H new ATOM 0 HE2 HIS A 897 -2.285 -4.829 -5.785 1.00 0.00 H new ATOM 172 N ARG A 898 0.247 -2.775 0.796 1.00 0.00 N ATOM 173 CA ARG A 898 1.043 -2.414 1.963 1.00 0.00 C ATOM 174 C ARG A 898 1.426 -0.937 1.925 1.00 0.00 C ATOM 175 O ARG A 898 1.509 -0.334 0.855 1.00 0.00 O ATOM 176 CB ARG A 898 2.304 -3.277 2.034 1.00 0.00 C ATOM 177 CG ARG A 898 2.033 -4.765 1.880 1.00 0.00 C ATOM 178 CD ARG A 898 1.002 -5.250 2.887 1.00 0.00 C ATOM 179 NE ARG A 898 1.102 -6.688 3.123 1.00 0.00 N ATOM 180 CZ ARG A 898 0.132 -7.412 3.670 1.00 0.00 C ATOM 181 NH1 ARG A 898 -1.005 -6.836 4.034 1.00 0.00 N ATOM 182 NH2 ARG A 898 0.298 -8.716 3.853 1.00 0.00 N ATOM 0 H ARG A 898 0.430 -3.710 0.433 1.00 0.00 H new ATOM 0 HA ARG A 898 0.439 -2.592 2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 898 2.996 -2.960 1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 898 2.800 -3.103 2.989 1.00 0.00 H new ATOM 0 HG2 ARG A 898 1.680 -4.969 0.869 1.00 0.00 H new ATOM 0 HG3 ARG A 898 2.961 -5.321 2.012 1.00 0.00 H new ATOM 0 HD2 ARG A 898 1.137 -4.718 3.829 1.00 0.00 H new ATOM 0 HD3 ARG A 898 0.002 -5.011 2.526 1.00 0.00 H new ATOM 0 HE ARG A 898 1.964 -7.162 2.853 1.00 0.00 H new ATOM 0 HH11 ARG A 898 -1.137 -5.834 3.894 1.00 0.00 H new ATOM 0 HH12 ARG A 898 -1.748 -7.395 4.454 1.00 0.00 H new ATOM 0 HH21 ARG A 898 1.171 -9.163 3.574 1.00 0.00 H new ATOM 0 HH22 ARG A 898 -0.448 -9.271 4.273 1.00 0.00 H new ATOM 196 N PHE A 899 1.657 -0.360 3.099 1.00 0.00 N ATOM 197 CA PHE A 899 2.030 1.046 3.200 1.00 0.00 C ATOM 198 C PHE A 899 3.546 1.204 3.263 1.00 0.00 C ATOM 199 O PHE A 899 4.244 0.466 3.959 1.00 0.00 O ATOM 200 CB PHE A 899 1.388 1.678 4.438 1.00 0.00 C ATOM 201 CG PHE A 899 1.509 3.174 4.477 1.00 0.00 C ATOM 202 CD1 PHE A 899 2.753 3.781 4.533 1.00 0.00 C ATOM 203 CD2 PHE A 899 0.378 3.974 4.460 1.00 0.00 C ATOM 204 CE1 PHE A 899 2.868 5.158 4.569 1.00 0.00 C ATOM 205 CE2 PHE A 899 0.486 5.352 4.496 1.00 0.00 C ATOM 206 CZ PHE A 899 1.733 5.944 4.552 1.00 0.00 C ATOM 0 H PHE A 899 1.592 -0.844 3.994 1.00 0.00 H new ATOM 0 HA PHE A 899 1.666 1.557 2.309 1.00 0.00 H new ATOM 0 HB2 PHE A 899 0.333 1.406 4.470 1.00 0.00 H new ATOM 0 HB3 PHE A 899 1.852 1.260 5.332 1.00 0.00 H new ATOM 0 HD1 PHE A 899 3.644 3.171 4.549 1.00 0.00 H new ATOM 0 HD2 PHE A 899 -0.599 3.516 4.418 1.00 0.00 H new ATOM 0 HE1 PHE A 899 3.844 5.618 4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 899 -0.403 5.965 4.480 1.00 0.00 H new ATOM 0 HZ PHE A 899 1.820 7.020 4.582 1.00 0.00 H new ATOM 216 N PRO A 900 4.069 2.188 2.518 1.00 0.00 N ATOM 217 CA PRO A 900 5.508 2.467 2.471 1.00 0.00 C ATOM 218 C PRO A 900 6.028 3.049 3.780 1.00 0.00 C ATOM 219 O PRO A 900 5.983 4.261 3.996 1.00 0.00 O ATOM 220 CB PRO A 900 5.634 3.493 1.342 1.00 0.00 C ATOM 221 CG PRO A 900 4.302 4.158 1.284 1.00 0.00 C ATOM 222 CD PRO A 900 3.297 3.106 1.663 1.00 0.00 C ATOM 0 HA PRO A 900 6.094 1.562 2.310 1.00 0.00 H new ATOM 0 HB2 PRO A 900 6.427 4.212 1.547 1.00 0.00 H new ATOM 0 HB3 PRO A 900 5.878 3.012 0.395 1.00 0.00 H new ATOM 0 HG2 PRO A 900 4.258 5.004 1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 900 4.103 4.546 0.285 1.00 0.00 H new ATOM 0 HD2 PRO A 900 2.449 3.535 2.197 1.00 0.00 H new ATOM 0 HD3 PRO A 900 2.897 2.597 0.786 1.00 0.00 H new ATOM 230 N THR A 901 6.525 2.178 4.654 1.00 0.00 N ATOM 231 CA THR A 901 7.054 2.606 5.943 1.00 0.00 C ATOM 232 C THR A 901 7.713 3.976 5.839 1.00 0.00 C ATOM 233 O THR A 901 7.658 4.775 6.774 1.00 0.00 O ATOM 234 CB THR A 901 8.079 1.596 6.492 1.00 0.00 C ATOM 235 OG1 THR A 901 9.166 1.452 5.573 1.00 0.00 O ATOM 236 CG2 THR A 901 7.428 0.241 6.733 1.00 0.00 C ATOM 0 H THR A 901 6.572 1.172 4.492 1.00 0.00 H new ATOM 0 HA THR A 901 6.209 2.664 6.629 1.00 0.00 H new ATOM 0 HB THR A 901 8.456 1.975 7.442 1.00 0.00 H new ATOM 0 HG1 THR A 901 10.007 1.679 6.023 1.00 0.00 H new ATOM 0 HG21 THR A 901 8.171 -0.456 7.121 1.00 0.00 H new ATOM 0 HG22 THR A 901 6.620 0.349 7.456 1.00 0.00 H new ATOM 0 HG23 THR A 901 7.026 -0.142 5.795 1.00 0.00 H new ATOM 244 N GLY A 902 8.337 4.243 4.696 1.00 0.00 N ATOM 245 CA GLY A 902 8.998 5.519 4.491 1.00 0.00 C ATOM 246 C GLY A 902 10.174 5.417 3.541 1.00 0.00 C ATOM 247 O GLY A 902 10.657 6.427 3.030 1.00 0.00 O ATOM 0 H GLY A 902 8.397 3.598 3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 902 8.279 6.238 4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 902 9.343 5.904 5.451 1.00 0.00 H new ATOM 251 N TYR A 903 10.636 4.195 3.304 1.00 0.00 N ATOM 252 CA TYR A 903 11.766 3.965 2.411 1.00 0.00 C ATOM 253 C TYR A 903 11.300 3.839 0.964 1.00 0.00 C ATOM 254 O TYR A 903 10.278 3.213 0.680 1.00 0.00 O ATOM 255 CB TYR A 903 12.523 2.702 2.827 1.00 0.00 C ATOM 256 CG TYR A 903 13.202 2.818 4.173 1.00 0.00 C ATOM 257 CD1 TYR A 903 12.458 2.912 5.342 1.00 0.00 C ATOM 258 CD2 TYR A 903 14.588 2.834 4.274 1.00 0.00 C ATOM 259 CE1 TYR A 903 13.074 3.019 6.574 1.00 0.00 C ATOM 260 CE2 TYR A 903 15.213 2.940 5.502 1.00 0.00 C ATOM 261 CZ TYR A 903 14.452 3.033 6.649 1.00 0.00 C ATOM 262 OH TYR A 903 15.069 3.138 7.874 1.00 0.00 O ATOM 0 H TYR A 903 10.246 3.348 3.717 1.00 0.00 H new ATOM 0 HA TYR A 903 12.435 4.822 2.485 1.00 0.00 H new ATOM 0 HB2 TYR A 903 11.827 1.863 2.852 1.00 0.00 H new ATOM 0 HB3 TYR A 903 13.273 2.472 2.070 1.00 0.00 H new ATOM 0 HD1 TYR A 903 11.379 2.901 5.287 1.00 0.00 H new ATOM 0 HD2 TYR A 903 15.187 2.762 3.378 1.00 0.00 H new ATOM 0 HE1 TYR A 903 12.480 3.091 7.473 1.00 0.00 H new ATOM 0 HE2 TYR A 903 16.291 2.950 5.563 1.00 0.00 H new ATOM 0 HH TYR A 903 16.041 3.132 7.752 1.00 0.00 H new ATOM 272 N PHE A 904 12.058 4.437 0.051 1.00 0.00 N ATOM 273 CA PHE A 904 11.724 4.393 -1.368 1.00 0.00 C ATOM 274 C PHE A 904 12.677 3.470 -2.123 1.00 0.00 C ATOM 275 O PHE A 904 13.415 3.909 -3.005 1.00 0.00 O ATOM 276 CB PHE A 904 11.775 5.799 -1.969 1.00 0.00 C ATOM 277 CG PHE A 904 11.686 5.813 -3.469 1.00 0.00 C ATOM 278 CD1 PHE A 904 10.653 5.158 -4.121 1.00 0.00 C ATOM 279 CD2 PHE A 904 12.634 6.481 -4.226 1.00 0.00 C ATOM 280 CE1 PHE A 904 10.568 5.170 -5.500 1.00 0.00 C ATOM 281 CE2 PHE A 904 12.554 6.496 -5.606 1.00 0.00 C ATOM 282 CZ PHE A 904 11.520 5.839 -6.244 1.00 0.00 C ATOM 0 H PHE A 904 12.908 4.958 0.268 1.00 0.00 H new ATOM 0 HA PHE A 904 10.712 4.000 -1.466 1.00 0.00 H new ATOM 0 HB2 PHE A 904 10.957 6.391 -1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 904 12.703 6.283 -1.663 1.00 0.00 H new ATOM 0 HD1 PHE A 904 9.906 4.632 -3.545 1.00 0.00 H new ATOM 0 HD2 PHE A 904 13.445 6.996 -3.733 1.00 0.00 H new ATOM 0 HE1 PHE A 904 9.758 4.657 -5.996 1.00 0.00 H new ATOM 0 HE2 PHE A 904 13.299 7.021 -6.185 1.00 0.00 H new ATOM 0 HZ PHE A 904 11.456 5.848 -7.322 1.00 0.00 H new ATOM 292 N SER A 905 12.655 2.189 -1.768 1.00 0.00 N ATOM 293 CA SER A 905 13.520 1.204 -2.408 1.00 0.00 C ATOM 294 C SER A 905 12.900 -0.188 -2.340 1.00 0.00 C ATOM 295 O SER A 905 12.017 -0.447 -1.521 1.00 0.00 O ATOM 296 CB SER A 905 14.897 1.194 -1.742 1.00 0.00 C ATOM 297 OG SER A 905 15.539 2.450 -1.878 1.00 0.00 O ATOM 0 H SER A 905 12.048 1.809 -1.041 1.00 0.00 H new ATOM 0 HA SER A 905 13.633 1.482 -3.456 1.00 0.00 H new ATOM 0 HB2 SER A 905 14.791 0.949 -0.685 1.00 0.00 H new ATOM 0 HB3 SER A 905 15.515 0.416 -2.190 1.00 0.00 H new ATOM 0 HG SER A 905 16.416 2.418 -1.443 1.00 0.00 H new ATOM 303 N ILE A 906 13.367 -1.080 -3.207 1.00 0.00 N ATOM 304 CA ILE A 906 12.860 -2.446 -3.246 1.00 0.00 C ATOM 305 C ILE A 906 13.625 -3.344 -2.280 1.00 0.00 C ATOM 306 O ILE A 906 14.788 -3.088 -1.966 1.00 0.00 O ATOM 307 CB ILE A 906 12.952 -3.040 -4.664 1.00 0.00 C ATOM 308 CG1 ILE A 906 11.991 -2.315 -5.608 1.00 0.00 C ATOM 309 CG2 ILE A 906 12.649 -4.531 -4.634 1.00 0.00 C ATOM 310 CD1 ILE A 906 10.601 -2.911 -5.630 1.00 0.00 C ATOM 0 H ILE A 906 14.096 -0.881 -3.892 1.00 0.00 H new ATOM 0 HA ILE A 906 11.813 -2.403 -2.946 1.00 0.00 H new ATOM 0 HB ILE A 906 13.968 -2.902 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 906 11.924 -1.268 -5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 906 12.402 -2.335 -6.617 1.00 0.00 H new ATOM 0 HG21 ILE A 906 12.718 -4.937 -5.643 1.00 0.00 H new ATOM 0 HG22 ILE A 906 13.369 -5.036 -3.990 1.00 0.00 H new ATOM 0 HG23 ILE A 906 11.642 -4.690 -4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 906 9.974 -2.347 -6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 906 10.656 -3.950 -5.956 1.00 0.00 H new ATOM 0 HD13 ILE A 906 10.170 -2.867 -4.630 1.00 0.00 H new ATOM 322 N CYS A 907 12.965 -4.398 -1.812 1.00 0.00 N ATOM 323 CA CYS A 907 13.583 -5.336 -0.882 1.00 0.00 C ATOM 324 C CYS A 907 14.375 -6.403 -1.632 1.00 0.00 C ATOM 325 O CYS A 907 13.805 -7.217 -2.360 1.00 0.00 O ATOM 326 CB CYS A 907 12.515 -5.998 -0.009 1.00 0.00 C ATOM 327 SG CYS A 907 13.185 -7.090 1.286 1.00 0.00 S ATOM 0 H CYS A 907 12.002 -4.624 -2.061 1.00 0.00 H new ATOM 0 HA CYS A 907 14.270 -4.779 -0.245 1.00 0.00 H new ATOM 0 HB2 CYS A 907 11.913 -5.221 0.462 1.00 0.00 H new ATOM 0 HB3 CYS A 907 11.847 -6.576 -0.647 1.00 0.00 H new ATOM 332 N ASP A 908 15.690 -6.393 -1.449 1.00 0.00 N ATOM 333 CA ASP A 908 16.561 -7.361 -2.107 1.00 0.00 C ATOM 334 C ASP A 908 16.093 -8.787 -1.835 1.00 0.00 C ATOM 335 O ASP A 908 16.067 -9.625 -2.737 1.00 0.00 O ATOM 336 CB ASP A 908 18.004 -7.186 -1.631 1.00 0.00 C ATOM 337 CG ASP A 908 18.776 -8.490 -1.632 1.00 0.00 C ATOM 338 OD1 ASP A 908 18.448 -9.375 -0.813 1.00 0.00 O ATOM 339 OD2 ASP A 908 19.708 -8.627 -2.451 1.00 0.00 O ATOM 0 H ASP A 908 16.177 -5.726 -0.851 1.00 0.00 H new ATOM 0 HA ASP A 908 16.516 -7.182 -3.181 1.00 0.00 H new ATOM 0 HB2 ASP A 908 18.511 -6.467 -2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 908 18.003 -6.768 -0.624 1.00 0.00 H new ATOM 344 N ARG A 909 15.723 -9.055 -0.587 1.00 0.00 N ATOM 345 CA ARG A 909 15.258 -10.380 -0.196 1.00 0.00 C ATOM 346 C ARG A 909 14.016 -10.776 -0.989 1.00 0.00 C ATOM 347 O ARG A 909 13.932 -11.885 -1.518 1.00 0.00 O ATOM 348 CB ARG A 909 14.951 -10.415 1.302 1.00 0.00 C ATOM 349 CG ARG A 909 16.145 -10.065 2.176 1.00 0.00 C ATOM 350 CD ARG A 909 16.192 -8.577 2.486 1.00 0.00 C ATOM 351 NE ARG A 909 16.854 -8.303 3.759 1.00 0.00 N ATOM 352 CZ ARG A 909 16.691 -7.178 4.445 1.00 0.00 C ATOM 353 NH1 ARG A 909 15.891 -6.226 3.983 1.00 0.00 N ATOM 354 NH2 ARG A 909 17.328 -7.003 5.595 1.00 0.00 N ATOM 0 H ARG A 909 15.736 -8.372 0.171 1.00 0.00 H new ATOM 0 HA ARG A 909 16.051 -11.095 -0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 909 14.139 -9.719 1.514 1.00 0.00 H new ATOM 0 HB3 ARG A 909 14.596 -11.410 1.568 1.00 0.00 H new ATOM 0 HG2 ARG A 909 16.094 -10.630 3.107 1.00 0.00 H new ATOM 0 HG3 ARG A 909 17.065 -10.362 1.673 1.00 0.00 H new ATOM 0 HD2 ARG A 909 16.717 -8.056 1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 909 15.177 -8.180 2.512 1.00 0.00 H new ATOM 0 HE ARG A 909 17.476 -9.015 4.142 1.00 0.00 H new ATOM 0 HH11 ARG A 909 15.399 -6.357 3.099 1.00 0.00 H new ATOM 0 HH12 ARG A 909 15.767 -5.363 4.512 1.00 0.00 H new ATOM 0 HH21 ARG A 909 17.944 -7.733 5.953 1.00 0.00 H new ATOM 0 HH22 ARG A 909 17.202 -6.138 6.121 1.00 0.00 H new ATOM 368 N TYR A 910 13.055 -9.863 -1.068 1.00 0.00 N ATOM 369 CA TYR A 910 11.816 -10.117 -1.794 1.00 0.00 C ATOM 370 C TYR A 910 12.089 -10.327 -3.280 1.00 0.00 C ATOM 371 O TYR A 910 11.612 -11.290 -3.880 1.00 0.00 O ATOM 372 CB TYR A 910 10.840 -8.955 -1.602 1.00 0.00 C ATOM 373 CG TYR A 910 9.564 -9.098 -2.401 1.00 0.00 C ATOM 374 CD1 TYR A 910 8.481 -9.807 -1.896 1.00 0.00 C ATOM 375 CD2 TYR A 910 9.442 -8.526 -3.661 1.00 0.00 C ATOM 376 CE1 TYR A 910 7.313 -9.941 -2.623 1.00 0.00 C ATOM 377 CE2 TYR A 910 8.278 -8.653 -4.394 1.00 0.00 C ATOM 378 CZ TYR A 910 7.217 -9.362 -3.871 1.00 0.00 C ATOM 379 OH TYR A 910 6.056 -9.492 -4.598 1.00 0.00 O ATOM 0 H TYR A 910 13.110 -8.940 -0.638 1.00 0.00 H new ATOM 0 HA TYR A 910 11.370 -11.027 -1.393 1.00 0.00 H new ATOM 0 HB2 TYR A 910 10.589 -8.873 -0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 910 11.334 -8.026 -1.885 1.00 0.00 H new ATOM 0 HD1 TYR A 910 8.553 -10.261 -0.919 1.00 0.00 H new ATOM 0 HD2 TYR A 910 10.272 -7.972 -4.075 1.00 0.00 H new ATOM 0 HE1 TYR A 910 6.481 -10.496 -2.216 1.00 0.00 H new ATOM 0 HE2 TYR A 910 8.199 -8.200 -5.371 1.00 0.00 H new ATOM 0 HH TYR A 910 6.152 -9.025 -5.454 1.00 0.00 H new ATOM 389 N MET A 911 12.861 -9.419 -3.867 1.00 0.00 N ATOM 390 CA MET A 911 13.200 -9.504 -5.283 1.00 0.00 C ATOM 391 C MET A 911 13.915 -10.816 -5.593 1.00 0.00 C ATOM 392 O MET A 911 13.617 -11.476 -6.587 1.00 0.00 O ATOM 393 CB MET A 911 14.080 -8.321 -5.691 1.00 0.00 C ATOM 394 CG MET A 911 13.291 -7.114 -6.172 1.00 0.00 C ATOM 395 SD MET A 911 12.430 -7.421 -7.726 1.00 0.00 S ATOM 396 CE MET A 911 10.723 -7.309 -7.195 1.00 0.00 C ATOM 0 H MET A 911 13.264 -8.616 -3.384 1.00 0.00 H new ATOM 0 HA MET A 911 12.273 -9.472 -5.855 1.00 0.00 H new ATOM 0 HB2 MET A 911 14.696 -8.027 -4.841 1.00 0.00 H new ATOM 0 HB3 MET A 911 14.759 -8.640 -6.482 1.00 0.00 H new ATOM 0 HG2 MET A 911 12.566 -6.831 -5.409 1.00 0.00 H new ATOM 0 HG3 MET A 911 13.968 -6.269 -6.297 1.00 0.00 H new ATOM 0 HE1 MET A 911 10.080 -7.174 -8.064 1.00 0.00 H new ATOM 0 HE2 MET A 911 10.443 -8.225 -6.675 1.00 0.00 H new ATOM 0 HE3 MET A 911 10.606 -6.460 -6.522 1.00 0.00 H new ATOM 406 N ASN A 912 14.859 -11.187 -4.734 1.00 0.00 N ATOM 407 CA ASN A 912 15.617 -12.419 -4.917 1.00 0.00 C ATOM 408 C ASN A 912 14.683 -13.620 -5.034 1.00 0.00 C ATOM 409 O ASN A 912 14.813 -14.434 -5.948 1.00 0.00 O ATOM 410 CB ASN A 912 16.586 -12.625 -3.751 1.00 0.00 C ATOM 411 CG ASN A 912 17.940 -11.992 -4.006 1.00 0.00 C ATOM 412 OD1 ASN A 912 18.970 -12.666 -3.965 1.00 0.00 O ATOM 413 ND2 ASN A 912 17.945 -10.691 -4.272 1.00 0.00 N ATOM 0 H ASN A 912 15.117 -10.652 -3.905 1.00 0.00 H new ATOM 0 HA ASN A 912 16.186 -12.331 -5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 912 16.155 -12.201 -2.844 1.00 0.00 H new ATOM 0 HB3 ASN A 912 16.715 -13.693 -3.573 1.00 0.00 H new ATOM 0 HD21 ASN A 912 18.827 -10.211 -4.453 1.00 0.00 H new ATOM 0 HD22 ASN A 912 17.067 -10.172 -4.296 1.00 0.00 H new ATOM 420 N GLY A 913 13.740 -13.723 -4.102 1.00 0.00 N ATOM 421 CA GLY A 913 12.798 -14.826 -4.119 1.00 0.00 C ATOM 422 C GLY A 913 11.845 -14.793 -2.941 1.00 0.00 C ATOM 423 O GLY A 913 10.627 -14.837 -3.116 1.00 0.00 O ATOM 0 H GLY A 913 13.612 -13.062 -3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 913 12.226 -14.797 -5.046 1.00 0.00 H new ATOM 0 HA3 GLY A 913 13.346 -15.768 -4.113 1.00 0.00 H new ATOM 427 N THR A 914 12.399 -14.717 -1.735 1.00 0.00 N ATOM 428 CA THR A 914 11.591 -14.681 -0.523 1.00 0.00 C ATOM 429 C THR A 914 12.164 -13.697 0.491 1.00 0.00 C ATOM 430 O THR A 914 13.381 -13.591 0.650 1.00 0.00 O ATOM 431 CB THR A 914 11.493 -16.073 0.128 1.00 0.00 C ATOM 432 OG1 THR A 914 10.634 -16.019 1.273 1.00 0.00 O ATOM 433 CG2 THR A 914 12.868 -16.575 0.543 1.00 0.00 C ATOM 0 H THR A 914 13.405 -14.679 -1.572 1.00 0.00 H new ATOM 0 HA THR A 914 10.594 -14.355 -0.818 1.00 0.00 H new ATOM 0 HB THR A 914 11.078 -16.764 -0.606 1.00 0.00 H new ATOM 0 HG1 THR A 914 10.576 -16.908 1.680 1.00 0.00 H new ATOM 0 HG21 THR A 914 12.773 -17.560 1.000 1.00 0.00 H new ATOM 0 HG22 THR A 914 13.511 -16.643 -0.335 1.00 0.00 H new ATOM 0 HG23 THR A 914 13.307 -15.882 1.261 1.00 0.00 H new ATOM 441 N CYS A 915 11.281 -12.979 1.176 1.00 0.00 N ATOM 442 CA CYS A 915 11.698 -12.003 2.176 1.00 0.00 C ATOM 443 C CYS A 915 11.314 -12.464 3.579 1.00 0.00 C ATOM 444 O CYS A 915 10.263 -13.069 3.795 1.00 0.00 O ATOM 445 CB CYS A 915 11.067 -10.641 1.884 1.00 0.00 C ATOM 446 SG CYS A 915 10.945 -9.551 3.338 1.00 0.00 S ATOM 0 H CYS A 915 10.271 -13.055 1.057 1.00 0.00 H new ATOM 0 HA CYS A 915 12.783 -11.911 2.127 1.00 0.00 H new ATOM 0 HB2 CYS A 915 11.653 -10.138 1.115 1.00 0.00 H new ATOM 0 HB3 CYS A 915 10.069 -10.795 1.474 1.00 0.00 H new ATOM 451 N PRO A 916 12.185 -12.172 4.557 1.00 0.00 N ATOM 452 CA PRO A 916 11.958 -12.546 5.956 1.00 0.00 C ATOM 453 C PRO A 916 10.825 -11.749 6.593 1.00 0.00 C ATOM 454 O PRO A 916 9.972 -12.308 7.282 1.00 0.00 O ATOM 455 CB PRO A 916 13.291 -12.214 6.632 1.00 0.00 C ATOM 456 CG PRO A 916 13.895 -11.152 5.778 1.00 0.00 C ATOM 457 CD PRO A 916 13.457 -11.453 4.371 1.00 0.00 C ATOM 0 HA PRO A 916 11.662 -13.590 6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 916 13.141 -11.863 7.653 1.00 0.00 H new ATOM 0 HB3 PRO A 916 13.936 -13.091 6.688 1.00 0.00 H new ATOM 0 HG2 PRO A 916 13.558 -10.163 6.088 1.00 0.00 H new ATOM 0 HG3 PRO A 916 14.982 -11.158 5.858 1.00 0.00 H new ATOM 0 HD2 PRO A 916 13.322 -10.542 3.788 1.00 0.00 H new ATOM 0 HD3 PRO A 916 14.190 -12.063 3.844 1.00 0.00 H new ATOM 465 N GLU A 917 10.823 -10.440 6.358 1.00 0.00 N ATOM 466 CA GLU A 917 9.793 -9.567 6.910 1.00 0.00 C ATOM 467 C GLU A 917 8.410 -9.971 6.407 1.00 0.00 C ATOM 468 O GLU A 917 7.614 -10.551 7.145 1.00 0.00 O ATOM 469 CB GLU A 917 10.077 -8.110 6.540 1.00 0.00 C ATOM 470 CG GLU A 917 11.395 -7.589 7.087 1.00 0.00 C ATOM 471 CD GLU A 917 11.403 -7.494 8.600 1.00 0.00 C ATOM 472 OE1 GLU A 917 10.470 -6.882 9.162 1.00 0.00 O ATOM 473 OE2 GLU A 917 12.341 -8.034 9.223 1.00 0.00 O ATOM 0 H GLU A 917 11.522 -9.961 5.790 1.00 0.00 H new ATOM 0 HA GLU A 917 9.810 -9.669 7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 917 10.080 -8.014 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 917 9.266 -7.485 6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 917 12.203 -8.246 6.764 1.00 0.00 H new ATOM 0 HG3 GLU A 917 11.596 -6.605 6.664 1.00 0.00 H new ATOM 480 N GLY A 918 8.132 -9.660 5.145 1.00 0.00 N ATOM 481 CA GLY A 918 6.845 -9.997 4.564 1.00 0.00 C ATOM 482 C GLY A 918 5.939 -8.790 4.421 1.00 0.00 C ATOM 483 O GLY A 918 6.066 -8.020 3.471 1.00 0.00 O ATOM 0 H GLY A 918 8.775 -9.181 4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 918 6.999 -10.449 3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 918 6.353 -10.745 5.187 1.00 0.00 H new ATOM 487 N ASN A 919 5.021 -8.626 5.368 1.00 0.00 N ATOM 488 CA ASN A 919 4.089 -7.505 5.342 1.00 0.00 C ATOM 489 C ASN A 919 4.553 -6.389 6.273 1.00 0.00 C ATOM 490 O ASN A 919 4.218 -5.221 6.075 1.00 0.00 O ATOM 491 CB ASN A 919 2.688 -7.970 5.745 1.00 0.00 C ATOM 492 CG ASN A 919 2.568 -8.219 7.236 1.00 0.00 C ATOM 493 OD1 ASN A 919 1.979 -7.420 7.965 1.00 0.00 O ATOM 494 ND2 ASN A 919 3.128 -9.331 7.697 1.00 0.00 N ATOM 0 H ASN A 919 4.903 -9.255 6.162 1.00 0.00 H new ATOM 0 HA ASN A 919 4.057 -7.116 4.324 1.00 0.00 H new ATOM 0 HB2 ASN A 919 1.958 -7.218 5.445 1.00 0.00 H new ATOM 0 HB3 ASN A 919 2.443 -8.885 5.206 1.00 0.00 H new ATOM 0 HD21 ASN A 919 3.080 -9.552 8.692 1.00 0.00 H new ATOM 0 HD22 ASN A 919 3.606 -9.965 7.056 1.00 0.00 H new ATOM 501 N SER A 920 5.328 -6.757 7.288 1.00 0.00 N ATOM 502 CA SER A 920 5.837 -5.788 8.252 1.00 0.00 C ATOM 503 C SER A 920 7.215 -5.281 7.837 1.00 0.00 C ATOM 504 O SER A 920 7.978 -4.776 8.661 1.00 0.00 O ATOM 505 CB SER A 920 5.910 -6.414 9.646 1.00 0.00 C ATOM 506 OG SER A 920 4.696 -6.229 10.353 1.00 0.00 O ATOM 0 H SER A 920 5.617 -7.719 7.464 1.00 0.00 H new ATOM 0 HA SER A 920 5.150 -4.942 8.277 1.00 0.00 H new ATOM 0 HB2 SER A 920 6.125 -7.479 9.559 1.00 0.00 H new ATOM 0 HB3 SER A 920 6.732 -5.968 10.206 1.00 0.00 H new ATOM 0 HG SER A 920 4.768 -6.640 11.240 1.00 0.00 H new ATOM 512 N CYS A 921 7.527 -5.420 6.553 1.00 0.00 N ATOM 513 CA CYS A 921 8.812 -4.977 6.026 1.00 0.00 C ATOM 514 C CYS A 921 8.845 -3.459 5.876 1.00 0.00 C ATOM 515 O CYS A 921 7.810 -2.795 5.934 1.00 0.00 O ATOM 516 CB CYS A 921 9.088 -5.639 4.674 1.00 0.00 C ATOM 517 SG CYS A 921 10.845 -5.641 4.192 1.00 0.00 S ATOM 0 H CYS A 921 6.907 -5.836 5.858 1.00 0.00 H new ATOM 0 HA CYS A 921 9.587 -5.272 6.733 1.00 0.00 H new ATOM 0 HB2 CYS A 921 8.730 -6.668 4.705 1.00 0.00 H new ATOM 0 HB3 CYS A 921 8.512 -5.124 3.905 1.00 0.00 H new ATOM 522 N LYS A 922 10.042 -2.914 5.685 1.00 0.00 N ATOM 523 CA LYS A 922 10.212 -1.475 5.525 1.00 0.00 C ATOM 524 C LYS A 922 10.572 -1.126 4.085 1.00 0.00 C ATOM 525 O LYS A 922 10.645 0.048 3.719 1.00 0.00 O ATOM 526 CB LYS A 922 11.298 -0.961 6.473 1.00 0.00 C ATOM 527 CG LYS A 922 12.605 -1.729 6.374 1.00 0.00 C ATOM 528 CD LYS A 922 13.798 -0.845 6.697 1.00 0.00 C ATOM 529 CE LYS A 922 15.106 -1.613 6.591 1.00 0.00 C ATOM 530 NZ LYS A 922 15.419 -2.350 7.847 1.00 0.00 N ATOM 0 H LYS A 922 10.910 -3.448 5.637 1.00 0.00 H new ATOM 0 HA LYS A 922 9.266 -0.993 5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 922 11.487 0.091 6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 922 10.930 -1.017 7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 922 12.583 -2.576 7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 922 12.714 -2.135 5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 922 13.818 0.005 6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 922 13.692 -0.443 7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 922 15.047 -2.318 5.761 1.00 0.00 H new ATOM 0 HE3 LYS A 922 15.917 -0.920 6.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 16.318 -2.861 7.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 15.500 -1.675 8.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 14.658 -3.029 8.050 1.00 0.00 H new ATOM 544 N PHE A 923 10.796 -2.152 3.270 1.00 0.00 N ATOM 545 CA PHE A 923 11.148 -1.953 1.869 1.00 0.00 C ATOM 546 C PHE A 923 9.995 -2.359 0.956 1.00 0.00 C ATOM 547 O PHE A 923 9.044 -3.009 1.390 1.00 0.00 O ATOM 548 CB PHE A 923 12.400 -2.758 1.517 1.00 0.00 C ATOM 549 CG PHE A 923 13.682 -2.063 1.878 1.00 0.00 C ATOM 550 CD1 PHE A 923 13.750 -1.245 2.994 1.00 0.00 C ATOM 551 CD2 PHE A 923 14.817 -2.227 1.101 1.00 0.00 C ATOM 552 CE1 PHE A 923 14.928 -0.603 3.328 1.00 0.00 C ATOM 553 CE2 PHE A 923 15.998 -1.588 1.430 1.00 0.00 C ATOM 554 CZ PHE A 923 16.053 -0.776 2.546 1.00 0.00 C ATOM 0 H PHE A 923 10.740 -3.130 3.556 1.00 0.00 H new ATOM 0 HA PHE A 923 11.352 -0.893 1.718 1.00 0.00 H new ATOM 0 HB2 PHE A 923 12.360 -3.719 2.030 1.00 0.00 H new ATOM 0 HB3 PHE A 923 12.399 -2.967 0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 923 12.873 -1.107 3.610 1.00 0.00 H new ATOM 0 HD2 PHE A 923 14.779 -2.862 0.228 1.00 0.00 H new ATOM 0 HE1 PHE A 923 14.968 0.033 4.200 1.00 0.00 H new ATOM 0 HE2 PHE A 923 16.876 -1.723 0.816 1.00 0.00 H new ATOM 0 HZ PHE A 923 16.975 -0.277 2.807 1.00 0.00 H new ATOM 564 N ALA A 924 10.087 -1.969 -0.312 1.00 0.00 N ATOM 565 CA ALA A 924 9.053 -2.293 -1.287 1.00 0.00 C ATOM 566 C ALA A 924 9.164 -3.744 -1.744 1.00 0.00 C ATOM 567 O ALA A 924 10.260 -4.301 -1.813 1.00 0.00 O ATOM 568 CB ALA A 924 9.141 -1.354 -2.481 1.00 0.00 C ATOM 0 H ALA A 924 10.867 -1.429 -0.687 1.00 0.00 H new ATOM 0 HA ALA A 924 8.083 -2.164 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 924 8.363 -1.607 -3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 924 9.005 -0.326 -2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 924 10.119 -1.455 -2.952 1.00 0.00 H new ATOM 574 N HIS A 925 8.023 -4.351 -2.053 1.00 0.00 N ATOM 575 CA HIS A 925 7.993 -5.738 -2.503 1.00 0.00 C ATOM 576 C HIS A 925 7.409 -5.840 -3.909 1.00 0.00 C ATOM 577 O HIS A 925 6.269 -6.265 -4.089 1.00 0.00 O ATOM 578 CB HIS A 925 7.174 -6.593 -1.535 1.00 0.00 C ATOM 579 CG HIS A 925 7.929 -6.997 -0.307 1.00 0.00 C ATOM 580 ND1 HIS A 925 7.518 -8.013 0.529 1.00 0.00 N ATOM 581 CD2 HIS A 925 9.078 -6.517 0.224 1.00 0.00 C ATOM 582 CE1 HIS A 925 8.380 -8.140 1.522 1.00 0.00 C ATOM 583 NE2 HIS A 925 9.336 -7.244 1.360 1.00 0.00 N ATOM 0 H HIS A 925 7.107 -3.905 -2.000 1.00 0.00 H new ATOM 0 HA HIS A 925 9.018 -6.109 -2.526 1.00 0.00 H new ATOM 0 HB2 HIS A 925 6.283 -6.039 -1.238 1.00 0.00 H new ATOM 0 HB3 HIS A 925 6.834 -7.489 -2.054 1.00 0.00 H new ATOM 0 HD1 HIS A 925 6.679 -8.579 0.401 1.00 0.00 H new ATOM 0 HD2 HIS A 925 9.680 -5.712 -0.172 1.00 0.00 H new ATOM 0 HE1 HIS A 925 8.314 -8.855 2.329 1.00 0.00 H new ATOM 591 N GLY A 926 8.200 -5.447 -4.903 1.00 0.00 N ATOM 592 CA GLY A 926 7.744 -5.502 -6.280 1.00 0.00 C ATOM 593 C GLY A 926 7.725 -4.137 -6.939 1.00 0.00 C ATOM 594 O GLY A 926 7.206 -3.175 -6.374 1.00 0.00 O ATOM 0 H GLY A 926 9.148 -5.092 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 926 8.394 -6.168 -6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 926 6.742 -5.931 -6.311 1.00 0.00 H new ATOM 598 N ASN A 927 8.293 -4.052 -8.137 1.00 0.00 N ATOM 599 CA ASN A 927 8.341 -2.793 -8.872 1.00 0.00 C ATOM 600 C ASN A 927 6.973 -2.117 -8.883 1.00 0.00 C ATOM 601 O ASN A 927 6.869 -0.904 -8.706 1.00 0.00 O ATOM 602 CB ASN A 927 8.814 -3.035 -10.307 1.00 0.00 C ATOM 603 CG ASN A 927 8.311 -4.351 -10.868 1.00 0.00 C ATOM 604 OD1 ASN A 927 7.197 -4.782 -10.567 1.00 0.00 O ATOM 605 ND2 ASN A 927 9.132 -4.997 -11.688 1.00 0.00 N ATOM 0 H ASN A 927 8.726 -4.839 -8.620 1.00 0.00 H new ATOM 0 HA ASN A 927 9.048 -2.134 -8.369 1.00 0.00 H new ATOM 0 HB2 ASN A 927 8.472 -2.218 -10.942 1.00 0.00 H new ATOM 0 HB3 ASN A 927 9.904 -3.025 -10.334 1.00 0.00 H new ATOM 0 HD21 ASN A 927 8.848 -5.888 -12.096 1.00 0.00 H new ATOM 0 HD22 ASN A 927 10.046 -4.602 -11.910 1.00 0.00 H new ATOM 612 N ALA A 928 5.928 -2.911 -9.090 1.00 0.00 N ATOM 613 CA ALA A 928 4.567 -2.390 -9.121 1.00 0.00 C ATOM 614 C ALA A 928 4.193 -1.753 -7.786 1.00 0.00 C ATOM 615 O ALA A 928 3.828 -0.580 -7.730 1.00 0.00 O ATOM 616 CB ALA A 928 3.586 -3.498 -9.472 1.00 0.00 C ATOM 0 H ALA A 928 5.998 -3.918 -9.239 1.00 0.00 H new ATOM 0 HA ALA A 928 4.517 -1.618 -9.889 1.00 0.00 H new ATOM 0 HB1 ALA A 928 2.574 -3.095 -9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 928 3.833 -3.906 -10.452 1.00 0.00 H new ATOM 0 HB3 ALA A 928 3.647 -4.289 -8.724 1.00 0.00 H new ATOM 622 N GLU A 929 4.286 -2.536 -6.716 1.00 0.00 N ATOM 623 CA GLU A 929 3.955 -2.047 -5.382 1.00 0.00 C ATOM 624 C GLU A 929 4.664 -0.727 -5.095 1.00 0.00 C ATOM 625 O GLU A 929 4.070 0.204 -4.549 1.00 0.00 O ATOM 626 CB GLU A 929 4.339 -3.085 -4.325 1.00 0.00 C ATOM 627 CG GLU A 929 3.518 -2.986 -3.050 1.00 0.00 C ATOM 628 CD GLU A 929 2.240 -3.800 -3.114 1.00 0.00 C ATOM 629 OE1 GLU A 929 1.441 -3.576 -4.048 1.00 0.00 O ATOM 630 OE2 GLU A 929 2.039 -4.661 -2.232 1.00 0.00 O ATOM 0 H GLU A 929 4.587 -3.510 -6.746 1.00 0.00 H new ATOM 0 HA GLU A 929 2.879 -1.878 -5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 929 4.220 -4.083 -4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 929 5.394 -2.967 -4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 929 4.120 -3.327 -2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 929 3.270 -1.941 -2.862 1.00 0.00 H new ATOM 637 N LEU A 930 5.937 -0.653 -5.467 1.00 0.00 N ATOM 638 CA LEU A 930 6.729 0.553 -5.250 1.00 0.00 C ATOM 639 C LEU A 930 6.017 1.780 -5.810 1.00 0.00 C ATOM 640 O LEU A 930 5.726 2.730 -5.082 1.00 0.00 O ATOM 641 CB LEU A 930 8.106 0.408 -5.900 1.00 0.00 C ATOM 642 CG LEU A 930 9.048 1.603 -5.753 1.00 0.00 C ATOM 643 CD1 LEU A 930 9.645 1.643 -4.355 1.00 0.00 C ATOM 644 CD2 LEU A 930 10.147 1.548 -6.804 1.00 0.00 C ATOM 0 H LEU A 930 6.443 -1.414 -5.920 1.00 0.00 H new ATOM 0 HA LEU A 930 6.854 0.686 -4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 930 8.595 -0.469 -5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 930 7.965 0.211 -6.963 1.00 0.00 H new ATOM 0 HG LEU A 930 8.473 2.516 -5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 930 10.313 2.500 -4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 930 8.845 1.731 -3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 930 10.206 0.726 -4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 930 10.808 2.406 -6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 930 10.720 0.629 -6.683 1.00 0.00 H new ATOM 0 HD23 LEU A 930 9.701 1.569 -7.798 1.00 0.00 H new ATOM 656 N HIS A 931 5.736 1.754 -7.110 1.00 0.00 N ATOM 657 CA HIS A 931 5.055 2.863 -7.768 1.00 0.00 C ATOM 658 C HIS A 931 3.988 3.463 -6.856 1.00 0.00 C ATOM 659 O HIS A 931 4.011 4.658 -6.563 1.00 0.00 O ATOM 660 CB HIS A 931 4.418 2.394 -9.076 1.00 0.00 C ATOM 661 CG HIS A 931 5.332 1.560 -9.921 1.00 0.00 C ATOM 662 ND1 HIS A 931 4.880 0.740 -10.934 1.00 0.00 N ATOM 663 CD2 HIS A 931 6.678 1.425 -9.901 1.00 0.00 C ATOM 664 CE1 HIS A 931 5.910 0.135 -11.499 1.00 0.00 C ATOM 665 NE2 HIS A 931 7.013 0.533 -10.891 1.00 0.00 N ATOM 0 H HIS A 931 5.970 0.977 -7.728 1.00 0.00 H new ATOM 0 HA HIS A 931 5.795 3.632 -7.988 1.00 0.00 H new ATOM 0 HB2 HIS A 931 3.521 1.818 -8.848 1.00 0.00 H new ATOM 0 HB3 HIS A 931 4.101 3.265 -9.649 1.00 0.00 H new ATOM 0 HD2 HIS A 931 7.362 1.925 -9.231 1.00 0.00 H new ATOM 0 HE1 HIS A 931 5.859 -0.566 -12.319 1.00 0.00 H new ATOM 0 HE2 HIS A 931 7.959 0.228 -11.119 1.00 0.00 H new ATOM 673 N GLU A 932 3.056 2.626 -6.413 1.00 0.00 N ATOM 674 CA GLU A 932 1.981 3.075 -5.536 1.00 0.00 C ATOM 675 C GLU A 932 2.542 3.662 -4.244 1.00 0.00 C ATOM 676 O GLU A 932 2.144 4.747 -3.819 1.00 0.00 O ATOM 677 CB GLU A 932 1.036 1.915 -5.215 1.00 0.00 C ATOM 678 CG GLU A 932 0.189 1.475 -6.397 1.00 0.00 C ATOM 679 CD GLU A 932 1.000 1.316 -7.669 1.00 0.00 C ATOM 680 OE1 GLU A 932 1.270 2.338 -8.332 1.00 0.00 O ATOM 681 OE2 GLU A 932 1.364 0.168 -7.999 1.00 0.00 O ATOM 0 H GLU A 932 3.023 1.634 -6.647 1.00 0.00 H new ATOM 0 HA GLU A 932 1.424 3.854 -6.056 1.00 0.00 H new ATOM 0 HB2 GLU A 932 1.623 1.066 -4.863 1.00 0.00 H new ATOM 0 HB3 GLU A 932 0.378 2.209 -4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 932 -0.296 0.528 -6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 932 -0.602 2.206 -6.564 1.00 0.00 H new ATOM 688 N TRP A 933 3.466 2.937 -3.625 1.00 0.00 N ATOM 689 CA TRP A 933 4.081 3.384 -2.381 1.00 0.00 C ATOM 690 C TRP A 933 4.488 4.851 -2.471 1.00 0.00 C ATOM 691 O TRP A 933 4.122 5.659 -1.618 1.00 0.00 O ATOM 692 CB TRP A 933 5.302 2.523 -2.053 1.00 0.00 C ATOM 693 CG TRP A 933 4.988 1.364 -1.157 1.00 0.00 C ATOM 694 CD1 TRP A 933 3.782 0.739 -1.017 1.00 0.00 C ATOM 695 CD2 TRP A 933 5.895 0.692 -0.276 1.00 0.00 C ATOM 696 NE1 TRP A 933 3.884 -0.281 -0.102 1.00 0.00 N ATOM 697 CE2 TRP A 933 5.170 -0.331 0.367 1.00 0.00 C ATOM 698 CE3 TRP A 933 7.248 0.853 0.032 1.00 0.00 C ATOM 699 CZ2 TRP A 933 5.754 -1.186 1.298 1.00 0.00 C ATOM 700 CZ3 TRP A 933 7.827 0.004 0.956 1.00 0.00 C ATOM 701 CH2 TRP A 933 7.081 -1.005 1.580 1.00 0.00 C ATOM 0 H TRP A 933 3.806 2.037 -3.964 1.00 0.00 H new ATOM 0 HA TRP A 933 3.346 3.278 -1.583 1.00 0.00 H new ATOM 0 HB2 TRP A 933 5.734 2.149 -2.981 1.00 0.00 H new ATOM 0 HB3 TRP A 933 6.060 3.146 -1.577 1.00 0.00 H new ATOM 0 HD1 TRP A 933 2.880 1.007 -1.548 1.00 0.00 H new ATOM 0 HE1 TRP A 933 3.125 -0.901 0.182 1.00 0.00 H new ATOM 0 HE3 TRP A 933 7.831 1.627 -0.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 933 5.181 -1.964 1.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 933 8.872 0.120 1.201 1.00 0.00 H new ATOM 0 HH2 TRP A 933 7.563 -1.653 2.298 1.00 0.00 H new ATOM 712 N GLU A 934 5.246 5.188 -3.510 1.00 0.00 N ATOM 713 CA GLU A 934 5.701 6.559 -3.710 1.00 0.00 C ATOM 714 C GLU A 934 4.533 7.537 -3.629 1.00 0.00 C ATOM 715 O GLU A 934 4.703 8.690 -3.233 1.00 0.00 O ATOM 716 CB GLU A 934 6.402 6.694 -5.064 1.00 0.00 C ATOM 717 CG GLU A 934 7.838 6.199 -5.058 1.00 0.00 C ATOM 718 CD GLU A 934 8.812 7.239 -4.542 1.00 0.00 C ATOM 719 OE1 GLU A 934 9.050 7.273 -3.317 1.00 0.00 O ATOM 720 OE2 GLU A 934 9.337 8.021 -5.363 1.00 0.00 O ATOM 0 H GLU A 934 5.558 4.531 -4.225 1.00 0.00 H new ATOM 0 HA GLU A 934 6.409 6.800 -2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 934 5.838 6.138 -5.813 1.00 0.00 H new ATOM 0 HB3 GLU A 934 6.389 7.741 -5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 934 7.907 5.304 -4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 934 8.123 5.910 -6.070 1.00 0.00 H new ATOM 727 N GLU A 935 3.348 7.069 -4.007 1.00 0.00 N ATOM 728 CA GLU A 935 2.153 7.903 -3.979 1.00 0.00 C ATOM 729 C GLU A 935 1.533 7.919 -2.584 1.00 0.00 C ATOM 730 O GLU A 935 1.244 8.981 -2.034 1.00 0.00 O ATOM 731 CB GLU A 935 1.128 7.400 -4.998 1.00 0.00 C ATOM 732 CG GLU A 935 1.680 7.283 -6.409 1.00 0.00 C ATOM 733 CD GLU A 935 0.622 7.509 -7.470 1.00 0.00 C ATOM 734 OE1 GLU A 935 -0.353 8.238 -7.189 1.00 0.00 O ATOM 735 OE2 GLU A 935 0.767 6.958 -8.581 1.00 0.00 O ATOM 0 H GLU A 935 3.190 6.117 -4.336 1.00 0.00 H new ATOM 0 HA GLU A 935 2.445 8.920 -4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 935 0.759 6.425 -4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 935 0.274 8.077 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 935 2.483 8.008 -6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 935 2.118 6.294 -6.543 1.00 0.00 H new ATOM 742 N ARG A 936 1.333 6.733 -2.019 1.00 0.00 N ATOM 743 CA ARG A 936 0.747 6.609 -0.690 1.00 0.00 C ATOM 744 C ARG A 936 1.358 7.625 0.271 1.00 0.00 C ATOM 745 O ARG A 936 0.670 8.519 0.765 1.00 0.00 O ATOM 746 CB ARG A 936 0.952 5.193 -0.148 1.00 0.00 C ATOM 747 CG ARG A 936 0.677 4.104 -1.172 1.00 0.00 C ATOM 748 CD ARG A 936 0.462 2.754 -0.506 1.00 0.00 C ATOM 749 NE ARG A 936 -0.953 2.473 -0.282 1.00 0.00 N ATOM 750 CZ ARG A 936 -1.587 2.752 0.851 1.00 0.00 C ATOM 751 NH1 ARG A 936 -0.935 3.317 1.858 1.00 0.00 N ATOM 752 NH2 ARG A 936 -2.877 2.466 0.979 1.00 0.00 N ATOM 0 H ARG A 936 1.568 5.844 -2.461 1.00 0.00 H new ATOM 0 HA ARG A 936 -0.321 6.808 -0.772 1.00 0.00 H new ATOM 0 HB2 ARG A 936 1.977 5.094 0.209 1.00 0.00 H new ATOM 0 HB3 ARG A 936 0.300 5.044 0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 936 -0.205 4.367 -1.756 1.00 0.00 H new ATOM 0 HG3 ARG A 936 1.513 4.038 -1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 936 0.893 1.970 -1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 936 0.991 2.731 0.447 1.00 0.00 H new ATOM 0 HE ARG A 936 -1.484 2.039 -1.037 1.00 0.00 H new ATOM 0 HH11 ARG A 936 0.056 3.538 1.764 1.00 0.00 H new ATOM 0 HH12 ARG A 936 -1.425 3.530 2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 936 -3.382 2.032 0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 936 -3.363 2.681 1.850 1.00 0.00 H new ATOM 766 N ARG A 937 2.653 7.482 0.530 1.00 0.00 N ATOM 767 CA ARG A 937 3.356 8.386 1.433 1.00 0.00 C ATOM 768 C ARG A 937 3.140 9.840 1.023 1.00 0.00 C ATOM 769 O ARG A 937 3.000 10.720 1.872 1.00 0.00 O ATOM 770 CB ARG A 937 4.852 8.066 1.446 1.00 0.00 C ATOM 771 CG ARG A 937 5.553 8.484 2.728 1.00 0.00 C ATOM 772 CD ARG A 937 7.033 8.135 2.694 1.00 0.00 C ATOM 773 NE ARG A 937 7.746 8.877 1.657 1.00 0.00 N ATOM 774 CZ ARG A 937 8.186 10.121 1.815 1.00 0.00 C ATOM 775 NH1 ARG A 937 7.986 10.758 2.960 1.00 0.00 N ATOM 776 NH2 ARG A 937 8.827 10.729 0.825 1.00 0.00 N ATOM 0 H ARG A 937 3.237 6.749 0.128 1.00 0.00 H new ATOM 0 HA ARG A 937 2.952 8.245 2.436 1.00 0.00 H new ATOM 0 HB2 ARG A 937 4.987 6.994 1.301 1.00 0.00 H new ATOM 0 HB3 ARG A 937 5.329 8.564 0.602 1.00 0.00 H new ATOM 0 HG2 ARG A 937 5.435 9.558 2.875 1.00 0.00 H new ATOM 0 HG3 ARG A 937 5.082 7.992 3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 937 7.479 8.350 3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 937 7.149 7.065 2.520 1.00 0.00 H new ATOM 0 HE ARG A 937 7.915 8.415 0.763 1.00 0.00 H new ATOM 0 HH11 ARG A 937 7.493 10.293 3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 937 8.325 11.713 3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 937 8.982 10.242 -0.057 1.00 0.00 H new ATOM 0 HH22 ARG A 937 9.165 11.684 0.946 1.00 0.00 H new ATOM 790 N ASP A 938 3.113 10.083 -0.283 1.00 0.00 N ATOM 791 CA ASP A 938 2.913 11.430 -0.805 1.00 0.00 C ATOM 792 C ASP A 938 1.619 12.035 -0.269 1.00 0.00 C ATOM 793 O ASP A 938 1.463 13.255 -0.228 1.00 0.00 O ATOM 794 CB ASP A 938 2.884 11.408 -2.334 1.00 0.00 C ATOM 795 CG ASP A 938 3.406 12.695 -2.942 1.00 0.00 C ATOM 796 OD1 ASP A 938 2.788 13.754 -2.708 1.00 0.00 O ATOM 797 OD2 ASP A 938 4.432 12.643 -3.652 1.00 0.00 O ATOM 0 H ASP A 938 3.227 9.365 -0.999 1.00 0.00 H new ATOM 0 HA ASP A 938 3.747 12.049 -0.473 1.00 0.00 H new ATOM 0 HB2 ASP A 938 3.482 10.571 -2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 938 1.862 11.238 -2.673 1.00 0.00 H new ATOM 802 N ALA A 939 0.695 11.172 0.141 1.00 0.00 N ATOM 803 CA ALA A 939 -0.585 11.621 0.676 1.00 0.00 C ATOM 804 C ALA A 939 -0.405 12.310 2.024 1.00 0.00 C ATOM 805 O ALA A 939 -1.244 13.110 2.441 1.00 0.00 O ATOM 806 CB ALA A 939 -1.544 10.447 0.804 1.00 0.00 C ATOM 0 H ALA A 939 0.809 10.159 0.113 1.00 0.00 H new ATOM 0 HA ALA A 939 -1.007 12.347 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 939 -2.496 10.796 1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 939 -1.705 10.000 -0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 939 -1.119 9.702 1.476 1.00 0.00 H new ATOM 812 N LEU A 940 0.692 11.995 2.702 1.00 0.00 N ATOM 813 CA LEU A 940 0.982 12.583 4.005 1.00 0.00 C ATOM 814 C LEU A 940 1.439 14.031 3.860 1.00 0.00 C ATOM 815 O LEU A 940 0.974 14.916 4.579 1.00 0.00 O ATOM 816 CB LEU A 940 2.056 11.768 4.728 1.00 0.00 C ATOM 817 CG LEU A 940 1.861 10.251 4.727 1.00 0.00 C ATOM 818 CD1 LEU A 940 3.006 9.566 5.457 1.00 0.00 C ATOM 819 CD2 LEU A 940 0.527 9.885 5.360 1.00 0.00 C ATOM 0 H LEU A 940 1.396 11.335 2.371 1.00 0.00 H new ATOM 0 HA LEU A 940 0.065 12.568 4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 940 3.021 11.991 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 940 2.106 12.107 5.763 1.00 0.00 H new ATOM 0 HG LEU A 940 1.857 9.904 3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 940 2.851 8.487 5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 940 3.947 9.802 4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 940 3.042 9.917 6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 940 0.405 8.802 5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 940 0.502 10.244 6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 940 -0.283 10.346 4.795 1.00 0.00 H new ATOM 831 N LYS A 941 2.351 14.267 2.922 1.00 0.00 N ATOM 832 CA LYS A 941 2.869 15.608 2.678 1.00 0.00 C ATOM 833 C LYS A 941 1.785 16.513 2.102 1.00 0.00 C ATOM 834 O LYS A 941 1.975 17.723 1.979 1.00 0.00 O ATOM 835 CB LYS A 941 4.062 15.549 1.721 1.00 0.00 C ATOM 836 CG LYS A 941 3.664 15.427 0.260 1.00 0.00 C ATOM 837 CD LYS A 941 4.844 15.680 -0.662 1.00 0.00 C ATOM 838 CE LYS A 941 5.622 14.401 -0.935 1.00 0.00 C ATOM 839 NZ LYS A 941 6.657 14.149 0.106 1.00 0.00 N ATOM 0 H LYS A 941 2.747 13.546 2.318 1.00 0.00 H new ATOM 0 HA LYS A 941 3.196 16.024 3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 941 4.666 16.447 1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 941 4.691 14.700 1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 941 3.262 14.431 0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 941 2.869 16.138 0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 941 4.488 16.099 -1.603 1.00 0.00 H new ATOM 0 HD3 LYS A 941 5.506 16.421 -0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 941 4.933 13.558 -0.973 1.00 0.00 H new ATOM 0 HE3 LYS A 941 6.099 14.468 -1.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 941 7.588 14.053 -0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 941 6.677 14.945 0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 941 6.429 13.273 0.617 1.00 0.00 H new ATOM 853 N MET A 942 0.649 15.920 1.752 1.00 0.00 N ATOM 854 CA MET A 942 -0.466 16.674 1.192 1.00 0.00 C ATOM 855 C MET A 942 -0.606 18.028 1.880 1.00 0.00 C ATOM 856 O MET A 942 -1.054 19.002 1.273 1.00 0.00 O ATOM 857 CB MET A 942 -1.767 15.882 1.330 1.00 0.00 C ATOM 858 CG MET A 942 -2.279 15.799 2.758 1.00 0.00 C ATOM 859 SD MET A 942 -4.003 15.276 2.849 1.00 0.00 S ATOM 860 CE MET A 942 -3.817 13.495 2.839 1.00 0.00 C ATOM 0 H MET A 942 0.476 14.919 1.846 1.00 0.00 H new ATOM 0 HA MET A 942 -0.263 16.842 0.134 1.00 0.00 H new ATOM 0 HB2 MET A 942 -2.532 16.343 0.705 1.00 0.00 H new ATOM 0 HB3 MET A 942 -1.610 14.873 0.950 1.00 0.00 H new ATOM 0 HG2 MET A 942 -1.661 15.100 3.321 1.00 0.00 H new ATOM 0 HG3 MET A 942 -2.173 16.773 3.235 1.00 0.00 H new ATOM 0 HE1 MET A 942 -4.779 13.028 3.051 1.00 0.00 H new ATOM 0 HE2 MET A 942 -3.464 13.172 1.860 1.00 0.00 H new ATOM 0 HE3 MET A 942 -3.095 13.200 3.600 1.00 0.00 H new ATOM 870 N LYS A 943 -0.221 18.084 3.151 1.00 0.00 N ATOM 871 CA LYS A 943 -0.303 19.318 3.922 1.00 0.00 C ATOM 872 C LYS A 943 1.079 19.934 4.111 1.00 0.00 C ATOM 873 O LYS A 943 1.212 21.147 4.280 1.00 0.00 O ATOM 874 CB LYS A 943 -0.945 19.051 5.285 1.00 0.00 C ATOM 875 CG LYS A 943 -0.279 17.927 6.061 1.00 0.00 C ATOM 876 CD LYS A 943 -0.894 17.761 7.440 1.00 0.00 C ATOM 877 CE LYS A 943 -0.771 19.034 8.263 1.00 0.00 C ATOM 878 NZ LYS A 943 -0.710 18.747 9.723 1.00 0.00 N ATOM 0 H LYS A 943 0.151 17.288 3.669 1.00 0.00 H new ATOM 0 HA LYS A 943 -0.923 20.023 3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 943 -0.908 19.964 5.880 1.00 0.00 H new ATOM 0 HB3 LYS A 943 -1.998 18.807 5.140 1.00 0.00 H new ATOM 0 HG2 LYS A 943 -0.373 16.994 5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 943 0.787 18.133 6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 943 -1.945 17.491 7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 943 -0.402 16.940 7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 943 0.125 19.576 7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 943 -1.621 19.684 8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 943 -0.626 19.640 10.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 943 -1.577 18.252 10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 943 0.116 18.148 9.925 1.00 0.00 H new ATOM 892 N LEU A 944 2.106 19.092 4.080 1.00 0.00 N ATOM 893 CA LEU A 944 3.480 19.554 4.247 1.00 0.00 C ATOM 894 C LEU A 944 4.035 20.098 2.934 1.00 0.00 C ATOM 895 O LEU A 944 4.101 19.384 1.934 1.00 0.00 O ATOM 896 CB LEU A 944 4.364 18.414 4.755 1.00 0.00 C ATOM 897 CG LEU A 944 3.868 17.684 6.003 1.00 0.00 C ATOM 898 CD1 LEU A 944 4.900 16.673 6.477 1.00 0.00 C ATOM 899 CD2 LEU A 944 3.547 18.679 7.110 1.00 0.00 C ATOM 0 H LEU A 944 2.014 18.086 3.941 1.00 0.00 H new ATOM 0 HA LEU A 944 3.480 20.360 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 944 4.478 17.684 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 944 5.356 18.816 4.964 1.00 0.00 H new ATOM 0 HG LEU A 944 2.955 17.147 5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 944 4.529 16.164 7.366 1.00 0.00 H new ATOM 0 HD12 LEU A 944 5.082 15.942 5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 944 5.831 17.188 6.716 1.00 0.00 H new ATOM 0 HD21 LEU A 944 3.195 18.142 7.991 1.00 0.00 H new ATOM 0 HD22 LEU A 944 4.444 19.244 7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 944 2.771 19.365 6.769 1.00 0.00 H new ATOM 911 N ASN A 945 4.435 21.365 2.946 1.00 0.00 N ATOM 912 CA ASN A 945 4.986 22.004 1.757 1.00 0.00 C ATOM 913 C ASN A 945 6.319 22.677 2.069 1.00 0.00 C ATOM 914 O ASN A 945 6.362 23.723 2.717 1.00 0.00 O ATOM 915 CB ASN A 945 3.999 23.033 1.202 1.00 0.00 C ATOM 916 CG ASN A 945 3.008 22.420 0.232 1.00 0.00 C ATOM 917 OD1 ASN A 945 3.150 22.549 -0.984 1.00 0.00 O ATOM 918 ND2 ASN A 945 1.995 21.747 0.767 1.00 0.00 N ATOM 0 H ASN A 945 4.388 21.970 3.766 1.00 0.00 H new ATOM 0 HA ASN A 945 5.156 21.232 1.006 1.00 0.00 H new ATOM 0 HB2 ASN A 945 3.457 23.494 2.028 1.00 0.00 H new ATOM 0 HB3 ASN A 945 4.551 23.827 0.700 1.00 0.00 H new ATOM 0 HD21 ASN A 945 1.296 21.312 0.164 1.00 0.00 H new ATOM 0 HD22 ASN A 945 1.916 21.665 1.781 1.00 0.00 H new ATOM 925 N LYS A 946 7.405 22.071 1.602 1.00 0.00 N ATOM 926 CA LYS A 946 8.740 22.611 1.829 1.00 0.00 C ATOM 927 C LYS A 946 9.514 22.718 0.519 1.00 0.00 C ATOM 928 O LYS A 946 9.466 21.816 -0.317 1.00 0.00 O ATOM 929 CB LYS A 946 9.509 21.730 2.816 1.00 0.00 C ATOM 930 CG LYS A 946 10.676 22.437 3.483 1.00 0.00 C ATOM 931 CD LYS A 946 11.536 21.468 4.276 1.00 0.00 C ATOM 932 CE LYS A 946 12.948 22.001 4.463 1.00 0.00 C ATOM 933 NZ LYS A 946 13.936 20.902 4.648 1.00 0.00 N ATOM 0 H LYS A 946 7.387 21.205 1.064 1.00 0.00 H new ATOM 0 HA LYS A 946 8.632 23.610 2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 946 8.822 21.376 3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 946 9.881 20.850 2.291 1.00 0.00 H new ATOM 0 HG2 LYS A 946 11.285 22.929 2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 946 10.300 23.217 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 946 11.081 21.290 5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 946 11.574 20.508 3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 946 13.228 22.599 3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 946 12.975 22.663 5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 946 14.886 21.307 4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 946 13.684 20.346 5.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 946 13.929 20.285 3.811 1.00 0.00 H new ATOM 947 N ALA A 947 10.226 23.826 0.346 1.00 0.00 N ATOM 948 CA ALA A 947 11.013 24.049 -0.861 1.00 0.00 C ATOM 949 C ALA A 947 12.331 23.285 -0.806 1.00 0.00 C ATOM 950 O ALA A 947 13.361 23.833 -0.412 1.00 0.00 O ATOM 951 CB ALA A 947 11.269 25.536 -1.056 1.00 0.00 C ATOM 0 H ALA A 947 10.274 24.584 1.027 1.00 0.00 H new ATOM 0 HA ALA A 947 10.443 23.675 -1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 947 11.858 25.688 -1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 947 10.318 26.060 -1.150 1.00 0.00 H new ATOM 0 HB3 ALA A 947 11.815 25.927 -0.198 1.00 0.00 H new ATOM 957 N SER A 948 12.292 22.017 -1.202 1.00 0.00 N ATOM 958 CA SER A 948 13.484 21.177 -1.193 1.00 0.00 C ATOM 959 C SER A 948 14.100 21.093 -2.586 1.00 0.00 C ATOM 960 O SER A 948 13.666 20.303 -3.423 1.00 0.00 O ATOM 961 CB SER A 948 13.140 19.773 -0.691 1.00 0.00 C ATOM 962 OG SER A 948 12.743 19.802 0.669 1.00 0.00 O ATOM 0 H SER A 948 11.448 21.549 -1.533 1.00 0.00 H new ATOM 0 HA SER A 948 14.212 21.629 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 948 12.339 19.352 -1.298 1.00 0.00 H new ATOM 0 HB3 SER A 948 14.005 19.120 -0.807 1.00 0.00 H new ATOM 0 HG SER A 948 12.527 18.894 0.966 1.00 0.00 H new ATOM 968 N GLY A 949 15.116 21.917 -2.828 1.00 0.00 N ATOM 969 CA GLY A 949 15.776 21.921 -4.120 1.00 0.00 C ATOM 970 C GLY A 949 15.654 23.256 -4.829 1.00 0.00 C ATOM 971 O GLY A 949 15.124 24.225 -4.285 1.00 0.00 O ATOM 0 H GLY A 949 15.493 22.581 -2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 949 16.830 21.679 -3.987 1.00 0.00 H new ATOM 0 HA3 GLY A 949 15.346 21.140 -4.747 1.00 0.00 H new ATOM 975 N PRO A 950 16.154 23.318 -6.071 1.00 0.00 N ATOM 976 CA PRO A 950 16.112 24.539 -6.881 1.00 0.00 C ATOM 977 C PRO A 950 14.696 24.889 -7.329 1.00 0.00 C ATOM 978 O PRO A 950 14.479 25.897 -8.002 1.00 0.00 O ATOM 979 CB PRO A 950 16.984 24.193 -8.091 1.00 0.00 C ATOM 980 CG PRO A 950 16.919 22.708 -8.192 1.00 0.00 C ATOM 981 CD PRO A 950 16.800 22.202 -6.782 1.00 0.00 C ATOM 0 HA PRO A 950 16.458 25.409 -6.324 1.00 0.00 H new ATOM 0 HB2 PRO A 950 16.610 24.668 -8.998 1.00 0.00 H new ATOM 0 HB3 PRO A 950 18.009 24.536 -7.951 1.00 0.00 H new ATOM 0 HG2 PRO A 950 16.065 22.395 -8.792 1.00 0.00 H new ATOM 0 HG3 PRO A 950 17.811 22.310 -8.675 1.00 0.00 H new ATOM 0 HD2 PRO A 950 16.201 21.293 -6.731 1.00 0.00 H new ATOM 0 HD3 PRO A 950 17.775 21.966 -6.357 1.00 0.00 H new ATOM 989 N SER A 951 13.737 24.051 -6.949 1.00 0.00 N ATOM 990 CA SER A 951 12.342 24.271 -7.314 1.00 0.00 C ATOM 991 C SER A 951 12.234 24.857 -8.719 1.00 0.00 C ATOM 992 O SER A 951 11.436 25.761 -8.966 1.00 0.00 O ATOM 993 CB SER A 951 11.670 25.205 -6.306 1.00 0.00 C ATOM 994 OG SER A 951 11.420 24.537 -5.081 1.00 0.00 O ATOM 0 H SER A 951 13.900 23.214 -6.389 1.00 0.00 H new ATOM 0 HA SER A 951 11.832 23.308 -7.301 1.00 0.00 H new ATOM 0 HB2 SER A 951 12.306 26.072 -6.128 1.00 0.00 H new ATOM 0 HB3 SER A 951 10.732 25.577 -6.719 1.00 0.00 H new ATOM 0 HG SER A 951 10.992 25.155 -4.453 1.00 0.00 H new ATOM 1000 N SER A 952 13.043 24.336 -9.635 1.00 0.00 N ATOM 1001 CA SER A 952 13.042 24.809 -11.014 1.00 0.00 C ATOM 1002 C SER A 952 11.733 24.452 -11.710 1.00 0.00 C ATOM 1003 O SER A 952 11.122 23.425 -11.419 1.00 0.00 O ATOM 1004 CB SER A 952 14.222 24.210 -11.782 1.00 0.00 C ATOM 1005 OG SER A 952 14.403 24.861 -13.028 1.00 0.00 O ATOM 0 H SER A 952 13.708 23.586 -9.447 1.00 0.00 H new ATOM 0 HA SER A 952 13.141 25.894 -11.000 1.00 0.00 H new ATOM 0 HB2 SER A 952 15.130 24.299 -11.186 1.00 0.00 H new ATOM 0 HB3 SER A 952 14.051 23.146 -11.946 1.00 0.00 H new ATOM 0 HG SER A 952 15.164 24.461 -13.499 1.00 0.00 H new ATOM 1011 N GLY A 953 11.307 25.309 -12.634 1.00 0.00 N ATOM 1012 CA GLY A 953 10.073 25.067 -13.358 1.00 0.00 C ATOM 1013 C GLY A 953 10.317 24.542 -14.759 1.00 0.00 C ATOM 1014 O GLY A 953 10.879 23.458 -14.904 1.00 0.00 O ATOM 0 H GLY A 953 11.795 26.166 -12.894 1.00 0.00 H new ATOM 0 HA2 GLY A 953 9.466 24.350 -12.805 1.00 0.00 H new ATOM 0 HA3 GLY A 953 9.501 25.993 -13.415 1.00 0.00 H new TER 1018 GLY A 953 HETATM 1019 ZN ZN A1085 11.285 -7.348 2.674 1.00 0.00 ZN