USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=19 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 Set 1.1: A 903 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 922 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 886 SER OG : rot 180:sc= 0 USER MOD Single : A 887 SER OG : rot 180:sc= -0.0411 USER MOD Single : A 889 SER OG : rot -63:sc= 0.144 USER MOD Single : A 890 SER OG : rot 180:sc= 0 USER MOD Single : A 892 GLN : amide:sc= -3.14! C(o=-3.1!,f=-5.8!) USER MOD Single : A 893 TYR OH : rot 180:sc= 0 USER MOD Single : A 894 CYS SG : rot 66:sc= 0.0361 USER MOD Single : A 896 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 897 HIS : no HD1:sc= -3.12! C(o=-3.1!,f=-3.6!) USER MOD Single : A 901 THR OG1 : rot -73:sc= -0.143 USER MOD Single : A 905 SER OG : rot 16:sc= 0.242 USER MOD Single : A 910 TYR OH : rot 180:sc= 0 USER MOD Single : A 911 MET CE :methyl 175:sc= -1.57 (180deg=-1.57) USER MOD Single : A 912 ASN : amide:sc= -0.542 X(o=-0.54,f=-0.42) USER MOD Single : A 914 THR OG1 : rot 180:sc= 0 USER MOD Single : A 919 ASN : amide:sc= -0.0504 X(o=-0.05,f=-0.39) USER MOD Single : A 920 SER OG : rot 180:sc= 0 USER MOD Single : A 927 ASN : amide:sc= -0.313 K(o=-0.31,f=-8.5!) USER MOD Single : A 931 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.6) USER MOD Single : A 941 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.436) USER MOD Single : A 942 MET CE :methyl -132:sc= -0.258 (180deg=-1.22) USER MOD Single : A 943 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 945 ASN : amide:sc= -0.0721 K(o=-0.072,f=-1.2!) USER MOD Single : A 946 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0688) 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 -18.816 -0.825 5.060 1.00 0.00 N ATOM 2 CA GLY A 885 -18.677 0.544 5.520 1.00 0.00 C ATOM 3 C GLY A 885 -18.219 1.482 4.421 1.00 0.00 C ATOM 4 O GLY A 885 -17.354 2.330 4.638 1.00 0.00 O ATOM 0 HA2 GLY A 885 -19.633 0.890 5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 885 -17.962 0.577 6.342 1.00 0.00 H new ATOM 8 N SER A 886 -18.800 1.329 3.235 1.00 0.00 N ATOM 9 CA SER A 886 -18.443 2.165 2.095 1.00 0.00 C ATOM 10 C SER A 886 -16.930 2.196 1.897 1.00 0.00 C ATOM 11 O SER A 886 -16.351 3.246 1.621 1.00 0.00 O ATOM 12 CB SER A 886 -18.972 3.587 2.293 1.00 0.00 C ATOM 13 OG SER A 886 -20.388 3.600 2.351 1.00 0.00 O ATOM 0 H SER A 886 -19.520 0.634 3.039 1.00 0.00 H new ATOM 0 HA SER A 886 -18.900 1.736 1.203 1.00 0.00 H new ATOM 0 HB2 SER A 886 -18.563 4.006 3.213 1.00 0.00 H new ATOM 0 HB3 SER A 886 -18.632 4.222 1.475 1.00 0.00 H new ATOM 0 HG SER A 886 -20.702 4.519 2.480 1.00 0.00 H new ATOM 19 N SER A 887 -16.297 1.036 2.040 1.00 0.00 N ATOM 20 CA SER A 887 -14.852 0.930 1.881 1.00 0.00 C ATOM 21 C SER A 887 -14.490 -0.236 0.964 1.00 0.00 C ATOM 22 O SER A 887 -15.284 -1.154 0.767 1.00 0.00 O ATOM 23 CB SER A 887 -14.179 0.749 3.243 1.00 0.00 C ATOM 24 OG SER A 887 -12.772 0.655 3.108 1.00 0.00 O ATOM 0 H SER A 887 -16.762 0.157 2.266 1.00 0.00 H new ATOM 0 HA SER A 887 -14.493 1.853 1.426 1.00 0.00 H new ATOM 0 HB2 SER A 887 -14.430 1.589 3.891 1.00 0.00 H new ATOM 0 HB3 SER A 887 -14.562 -0.151 3.725 1.00 0.00 H new ATOM 0 HG SER A 887 -12.365 0.542 3.992 1.00 0.00 H new ATOM 30 N GLY A 888 -13.284 -0.190 0.407 1.00 0.00 N ATOM 31 CA GLY A 888 -12.837 -1.247 -0.482 1.00 0.00 C ATOM 32 C GLY A 888 -13.721 -1.387 -1.706 1.00 0.00 C ATOM 33 O GLY A 888 -14.946 -1.327 -1.605 1.00 0.00 O ATOM 0 H GLY A 888 -12.609 0.560 0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 888 -11.814 -1.044 -0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 888 -12.821 -2.192 0.061 1.00 0.00 H new ATOM 37 N SER A 889 -13.099 -1.574 -2.865 1.00 0.00 N ATOM 38 CA SER A 889 -13.837 -1.719 -4.114 1.00 0.00 C ATOM 39 C SER A 889 -14.841 -0.583 -4.286 1.00 0.00 C ATOM 40 O SER A 889 -16.020 -0.817 -4.549 1.00 0.00 O ATOM 41 CB SER A 889 -14.562 -3.065 -4.150 1.00 0.00 C ATOM 42 OG SER A 889 -15.061 -3.341 -5.447 1.00 0.00 O ATOM 0 H SER A 889 -12.085 -1.629 -2.965 1.00 0.00 H new ATOM 0 HA SER A 889 -13.123 -1.678 -4.936 1.00 0.00 H new ATOM 0 HB2 SER A 889 -13.879 -3.858 -3.843 1.00 0.00 H new ATOM 0 HB3 SER A 889 -15.384 -3.058 -3.435 1.00 0.00 H new ATOM 0 HG SER A 889 -15.726 -2.664 -5.693 1.00 0.00 H new ATOM 48 N SER A 890 -14.363 0.649 -4.136 1.00 0.00 N ATOM 49 CA SER A 890 -15.218 1.822 -4.271 1.00 0.00 C ATOM 50 C SER A 890 -15.321 2.255 -5.730 1.00 0.00 C ATOM 51 O SER A 890 -15.623 3.410 -6.027 1.00 0.00 O ATOM 52 CB SER A 890 -14.677 2.974 -3.422 1.00 0.00 C ATOM 53 OG SER A 890 -14.558 2.593 -2.062 1.00 0.00 O ATOM 0 H SER A 890 -13.388 0.860 -3.921 1.00 0.00 H new ATOM 0 HA SER A 890 -16.215 1.557 -3.918 1.00 0.00 H new ATOM 0 HB2 SER A 890 -13.704 3.285 -3.802 1.00 0.00 H new ATOM 0 HB3 SER A 890 -15.341 3.834 -3.505 1.00 0.00 H new ATOM 0 HG SER A 890 -14.209 3.346 -1.541 1.00 0.00 H new ATOM 59 N GLY A 891 -15.067 1.318 -6.638 1.00 0.00 N ATOM 60 CA GLY A 891 -15.135 1.621 -8.056 1.00 0.00 C ATOM 61 C GLY A 891 -13.840 2.202 -8.587 1.00 0.00 C ATOM 62 O GLY A 891 -13.326 1.754 -9.612 1.00 0.00 O ATOM 0 H GLY A 891 -14.815 0.354 -6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 891 -15.375 0.712 -8.608 1.00 0.00 H new ATOM 0 HA3 GLY A 891 -15.947 2.326 -8.235 1.00 0.00 H new ATOM 66 N GLN A 892 -13.313 3.204 -7.891 1.00 0.00 N ATOM 67 CA GLN A 892 -12.072 3.849 -8.301 1.00 0.00 C ATOM 68 C GLN A 892 -10.887 3.299 -7.514 1.00 0.00 C ATOM 69 O GLN A 892 -9.856 2.947 -8.089 1.00 0.00 O ATOM 70 CB GLN A 892 -12.170 5.363 -8.107 1.00 0.00 C ATOM 71 CG GLN A 892 -12.417 5.776 -6.665 1.00 0.00 C ATOM 72 CD GLN A 892 -11.132 5.968 -5.885 1.00 0.00 C ATOM 73 OE1 GLN A 892 -10.036 5.888 -6.441 1.00 0.00 O ATOM 74 NE2 GLN A 892 -11.259 6.224 -4.588 1.00 0.00 N ATOM 0 H GLN A 892 -13.726 3.587 -7.041 1.00 0.00 H new ATOM 0 HA GLN A 892 -11.913 3.635 -9.358 1.00 0.00 H new ATOM 0 HB2 GLN A 892 -11.247 5.826 -8.456 1.00 0.00 H new ATOM 0 HB3 GLN A 892 -12.976 5.750 -8.730 1.00 0.00 H new ATOM 0 HG2 GLN A 892 -12.989 6.704 -6.650 1.00 0.00 H new ATOM 0 HG3 GLN A 892 -13.026 5.018 -6.173 1.00 0.00 H new ATOM 0 HE21 GLN A 892 -12.187 6.282 -4.168 1.00 0.00 H new ATOM 0 HE22 GLN A 892 -10.429 6.363 -4.012 1.00 0.00 H new ATOM 83 N TYR A 893 -11.040 3.229 -6.197 1.00 0.00 N ATOM 84 CA TYR A 893 -9.981 2.725 -5.330 1.00 0.00 C ATOM 85 C TYR A 893 -9.566 1.315 -5.741 1.00 0.00 C ATOM 86 O TYR A 893 -10.100 0.326 -5.238 1.00 0.00 O ATOM 87 CB TYR A 893 -10.442 2.728 -3.872 1.00 0.00 C ATOM 88 CG TYR A 893 -9.304 2.715 -2.877 1.00 0.00 C ATOM 89 CD1 TYR A 893 -8.338 1.717 -2.908 1.00 0.00 C ATOM 90 CD2 TYR A 893 -9.194 3.702 -1.905 1.00 0.00 C ATOM 91 CE1 TYR A 893 -7.297 1.701 -2.001 1.00 0.00 C ATOM 92 CE2 TYR A 893 -8.155 3.695 -0.994 1.00 0.00 C ATOM 93 CZ TYR A 893 -7.210 2.692 -1.046 1.00 0.00 C ATOM 94 OH TYR A 893 -6.173 2.681 -0.140 1.00 0.00 O ATOM 0 H TYR A 893 -11.887 3.515 -5.706 1.00 0.00 H new ATOM 0 HA TYR A 893 -9.118 3.383 -5.432 1.00 0.00 H new ATOM 0 HB2 TYR A 893 -11.057 3.610 -3.696 1.00 0.00 H new ATOM 0 HB3 TYR A 893 -11.075 1.858 -3.698 1.00 0.00 H new ATOM 0 HD1 TYR A 893 -8.402 0.940 -3.655 1.00 0.00 H new ATOM 0 HD2 TYR A 893 -9.933 4.488 -1.861 1.00 0.00 H new ATOM 0 HE1 TYR A 893 -6.555 0.917 -2.039 1.00 0.00 H new ATOM 0 HE2 TYR A 893 -8.083 4.470 -0.246 1.00 0.00 H new ATOM 0 HH TYR A 893 -6.258 3.449 0.463 1.00 0.00 H new ATOM 104 N CYS A 894 -8.608 1.232 -6.658 1.00 0.00 N ATOM 105 CA CYS A 894 -8.119 -0.055 -7.139 1.00 0.00 C ATOM 106 C CYS A 894 -6.771 -0.394 -6.508 1.00 0.00 C ATOM 107 O CYS A 894 -6.549 -1.519 -6.062 1.00 0.00 O ATOM 108 CB CYS A 894 -7.992 -0.039 -8.663 1.00 0.00 C ATOM 109 SG CYS A 894 -9.587 -0.066 -9.543 1.00 0.00 S ATOM 0 H CYS A 894 -8.155 2.041 -7.083 1.00 0.00 H new ATOM 0 HA CYS A 894 -8.839 -0.821 -6.850 1.00 0.00 H new ATOM 0 HB2 CYS A 894 -7.440 0.852 -8.961 1.00 0.00 H new ATOM 0 HB3 CYS A 894 -7.402 -0.900 -8.977 1.00 0.00 H new ATOM 0 HG CYS A 894 -10.233 1.037 -9.305 1.00 0.00 H new ATOM 114 N TRP A 895 -5.876 0.587 -6.476 1.00 0.00 N ATOM 115 CA TRP A 895 -4.550 0.393 -5.901 1.00 0.00 C ATOM 116 C TRP A 895 -4.649 -0.083 -4.455 1.00 0.00 C ATOM 117 O TRP A 895 -4.629 0.723 -3.526 1.00 0.00 O ATOM 118 CB TRP A 895 -3.747 1.693 -5.969 1.00 0.00 C ATOM 119 CG TRP A 895 -4.301 2.780 -5.100 1.00 0.00 C ATOM 120 CD1 TRP A 895 -5.600 2.934 -4.706 1.00 0.00 C ATOM 121 CD2 TRP A 895 -3.572 3.867 -4.517 1.00 0.00 C ATOM 122 NE1 TRP A 895 -5.722 4.050 -3.915 1.00 0.00 N ATOM 123 CE2 TRP A 895 -4.493 4.639 -3.783 1.00 0.00 C ATOM 124 CE3 TRP A 895 -2.232 4.261 -4.543 1.00 0.00 C ATOM 125 CZ2 TRP A 895 -4.114 5.782 -3.083 1.00 0.00 C ATOM 126 CZ3 TRP A 895 -1.858 5.395 -3.849 1.00 0.00 C ATOM 127 CH2 TRP A 895 -2.796 6.145 -3.126 1.00 0.00 C ATOM 0 H TRP A 895 -6.044 1.524 -6.841 1.00 0.00 H new ATOM 0 HA TRP A 895 -4.037 -0.373 -6.482 1.00 0.00 H new ATOM 0 HB2 TRP A 895 -2.717 1.491 -5.674 1.00 0.00 H new ATOM 0 HB3 TRP A 895 -3.720 2.041 -7.001 1.00 0.00 H new ATOM 0 HD1 TRP A 895 -6.412 2.275 -4.977 1.00 0.00 H new ATOM 0 HE1 TRP A 895 -6.588 4.386 -3.494 1.00 0.00 H new ATOM 0 HE3 TRP A 895 -1.502 3.689 -5.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 895 -4.835 6.361 -2.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 895 -0.825 5.709 -3.864 1.00 0.00 H new ATOM 0 HH2 TRP A 895 -2.472 7.026 -2.593 1.00 0.00 H new ATOM 138 N GLN A 896 -4.753 -1.395 -4.274 1.00 0.00 N ATOM 139 CA GLN A 896 -4.855 -1.976 -2.941 1.00 0.00 C ATOM 140 C GLN A 896 -3.568 -2.704 -2.565 1.00 0.00 C ATOM 141 O GLN A 896 -3.293 -3.797 -3.061 1.00 0.00 O ATOM 142 CB GLN A 896 -6.040 -2.941 -2.871 1.00 0.00 C ATOM 143 CG GLN A 896 -6.275 -3.517 -1.484 1.00 0.00 C ATOM 144 CD GLN A 896 -7.712 -3.945 -1.266 1.00 0.00 C ATOM 145 OE1 GLN A 896 -8.331 -4.553 -2.140 1.00 0.00 O ATOM 146 NE2 GLN A 896 -8.253 -3.631 -0.095 1.00 0.00 N ATOM 0 H GLN A 896 -4.769 -2.076 -5.033 1.00 0.00 H new ATOM 0 HA GLN A 896 -5.014 -1.165 -2.230 1.00 0.00 H new ATOM 0 HB2 GLN A 896 -6.941 -2.421 -3.197 1.00 0.00 H new ATOM 0 HB3 GLN A 896 -5.873 -3.759 -3.572 1.00 0.00 H new ATOM 0 HG2 GLN A 896 -5.618 -4.374 -1.334 1.00 0.00 H new ATOM 0 HG3 GLN A 896 -6.004 -2.773 -0.735 1.00 0.00 H new ATOM 0 HE21 GLN A 896 -7.704 -3.126 0.601 1.00 0.00 H new ATOM 0 HE22 GLN A 896 -9.217 -3.894 0.108 1.00 0.00 H new ATOM 155 N HIS A 897 -2.783 -2.090 -1.685 1.00 0.00 N ATOM 156 CA HIS A 897 -1.525 -2.680 -1.242 1.00 0.00 C ATOM 157 C HIS A 897 -1.078 -2.074 0.085 1.00 0.00 C ATOM 158 O HIS A 897 -1.609 -1.052 0.521 1.00 0.00 O ATOM 159 CB HIS A 897 -0.440 -2.476 -2.301 1.00 0.00 C ATOM 160 CG HIS A 897 -0.825 -2.981 -3.657 1.00 0.00 C ATOM 161 ND1 HIS A 897 -1.394 -2.181 -4.625 1.00 0.00 N ATOM 162 CD2 HIS A 897 -0.716 -4.214 -4.206 1.00 0.00 C ATOM 163 CE1 HIS A 897 -1.621 -2.900 -5.710 1.00 0.00 C ATOM 164 NE2 HIS A 897 -1.219 -4.137 -5.482 1.00 0.00 N ATOM 0 H HIS A 897 -2.996 -1.185 -1.265 1.00 0.00 H new ATOM 0 HA HIS A 897 -1.685 -3.749 -1.098 1.00 0.00 H new ATOM 0 HB2 HIS A 897 -0.207 -1.413 -2.371 1.00 0.00 H new ATOM 0 HB3 HIS A 897 0.470 -2.982 -1.979 1.00 0.00 H new ATOM 0 HD2 HIS A 897 -0.309 -5.094 -3.730 1.00 0.00 H new ATOM 0 HE1 HIS A 897 -2.061 -2.538 -6.627 1.00 0.00 H new ATOM 0 HE2 HIS A 897 -1.273 -4.910 -6.146 1.00 0.00 H new ATOM 172 N ARG A 898 -0.100 -2.710 0.721 1.00 0.00 N ATOM 173 CA ARG A 898 0.416 -2.234 1.999 1.00 0.00 C ATOM 174 C ARG A 898 0.888 -0.788 1.890 1.00 0.00 C ATOM 175 O ARG A 898 1.061 -0.261 0.790 1.00 0.00 O ATOM 176 CB ARG A 898 1.568 -3.124 2.470 1.00 0.00 C ATOM 177 CG ARG A 898 1.114 -4.346 3.251 1.00 0.00 C ATOM 178 CD ARG A 898 0.559 -5.421 2.329 1.00 0.00 C ATOM 179 NE ARG A 898 -0.152 -6.461 3.067 1.00 0.00 N ATOM 180 CZ ARG A 898 -1.026 -7.291 2.509 1.00 0.00 C ATOM 181 NH1 ARG A 898 -1.294 -7.204 1.213 1.00 0.00 N ATOM 182 NH2 ARG A 898 -1.633 -8.212 3.247 1.00 0.00 N ATOM 0 H ARG A 898 0.351 -3.556 0.373 1.00 0.00 H new ATOM 0 HA ARG A 898 -0.392 -2.280 2.729 1.00 0.00 H new ATOM 0 HB2 ARG A 898 2.142 -3.450 1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 898 2.240 -2.534 3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 898 1.953 -4.749 3.818 1.00 0.00 H new ATOM 0 HG3 ARG A 898 0.351 -4.055 3.973 1.00 0.00 H new ATOM 0 HD2 ARG A 898 -0.116 -4.965 1.605 1.00 0.00 H new ATOM 0 HD3 ARG A 898 1.375 -5.871 1.764 1.00 0.00 H new ATOM 0 HE ARG A 898 0.033 -6.555 4.066 1.00 0.00 H new ATOM 0 HH11 ARG A 898 -0.828 -6.498 0.642 1.00 0.00 H new ATOM 0 HH12 ARG A 898 -1.966 -7.843 0.787 1.00 0.00 H new ATOM 0 HH21 ARG A 898 -1.429 -8.283 4.244 1.00 0.00 H new ATOM 0 HH22 ARG A 898 -2.304 -8.849 2.817 1.00 0.00 H new ATOM 196 N PHE A 899 1.094 -0.150 3.037 1.00 0.00 N ATOM 197 CA PHE A 899 1.545 1.237 3.071 1.00 0.00 C ATOM 198 C PHE A 899 3.061 1.313 3.222 1.00 0.00 C ATOM 199 O PHE A 899 3.674 0.554 3.973 1.00 0.00 O ATOM 200 CB PHE A 899 0.868 1.987 4.220 1.00 0.00 C ATOM 201 CG PHE A 899 1.060 3.476 4.160 1.00 0.00 C ATOM 202 CD1 PHE A 899 2.293 4.040 4.443 1.00 0.00 C ATOM 203 CD2 PHE A 899 0.008 4.310 3.820 1.00 0.00 C ATOM 204 CE1 PHE A 899 2.474 5.410 4.388 1.00 0.00 C ATOM 205 CE2 PHE A 899 0.182 5.680 3.763 1.00 0.00 C ATOM 206 CZ PHE A 899 1.416 6.230 4.048 1.00 0.00 C ATOM 0 H PHE A 899 0.956 -0.571 3.956 1.00 0.00 H new ATOM 0 HA PHE A 899 1.268 1.706 2.127 1.00 0.00 H new ATOM 0 HB2 PHE A 899 -0.199 1.766 4.209 1.00 0.00 H new ATOM 0 HB3 PHE A 899 1.261 1.616 5.167 1.00 0.00 H new ATOM 0 HD1 PHE A 899 3.123 3.402 4.710 1.00 0.00 H new ATOM 0 HD2 PHE A 899 -0.959 3.885 3.597 1.00 0.00 H new ATOM 0 HE1 PHE A 899 3.440 5.838 4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 899 -0.646 6.320 3.496 1.00 0.00 H new ATOM 0 HZ PHE A 899 1.554 7.300 4.005 1.00 0.00 H new ATOM 216 N PRO A 900 3.682 2.250 2.491 1.00 0.00 N ATOM 217 CA PRO A 900 5.134 2.448 2.525 1.00 0.00 C ATOM 218 C PRO A 900 5.608 3.030 3.853 1.00 0.00 C ATOM 219 O PRO A 900 5.557 4.242 4.065 1.00 0.00 O ATOM 220 CB PRO A 900 5.384 3.440 1.387 1.00 0.00 C ATOM 221 CG PRO A 900 4.097 4.176 1.236 1.00 0.00 C ATOM 222 CD PRO A 900 3.014 3.189 1.574 1.00 0.00 C ATOM 0 HA PRO A 900 5.676 1.509 2.416 1.00 0.00 H new ATOM 0 HB2 PRO A 900 6.202 4.119 1.626 1.00 0.00 H new ATOM 0 HB3 PRO A 900 5.656 2.925 0.466 1.00 0.00 H new ATOM 0 HG2 PRO A 900 4.060 5.039 1.901 1.00 0.00 H new ATOM 0 HG3 PRO A 900 3.979 4.552 0.220 1.00 0.00 H new ATOM 0 HD2 PRO A 900 2.161 3.675 2.048 1.00 0.00 H new ATOM 0 HD3 PRO A 900 2.639 2.683 0.684 1.00 0.00 H new ATOM 230 N THR A 901 6.071 2.159 4.744 1.00 0.00 N ATOM 231 CA THR A 901 6.553 2.587 6.051 1.00 0.00 C ATOM 232 C THR A 901 7.270 3.929 5.960 1.00 0.00 C ATOM 233 O THR A 901 7.267 4.710 6.911 1.00 0.00 O ATOM 234 CB THR A 901 7.511 1.547 6.664 1.00 0.00 C ATOM 235 OG1 THR A 901 8.685 1.425 5.854 1.00 0.00 O ATOM 236 CG2 THR A 901 6.831 0.192 6.787 1.00 0.00 C ATOM 0 H THR A 901 6.122 1.153 4.584 1.00 0.00 H new ATOM 0 HA THR A 901 5.678 2.688 6.693 1.00 0.00 H new ATOM 0 HB THR A 901 7.792 1.887 7.661 1.00 0.00 H new ATOM 0 HG1 THR A 901 8.465 0.944 5.029 1.00 0.00 H new ATOM 0 HG21 THR A 901 7.526 -0.526 7.222 1.00 0.00 H new ATOM 0 HG22 THR A 901 5.954 0.282 7.428 1.00 0.00 H new ATOM 0 HG23 THR A 901 6.525 -0.152 5.799 1.00 0.00 H new ATOM 244 N GLY A 902 7.883 4.191 4.810 1.00 0.00 N ATOM 245 CA GLY A 902 8.595 5.441 4.617 1.00 0.00 C ATOM 246 C GLY A 902 9.820 5.281 3.739 1.00 0.00 C ATOM 247 O GLY A 902 10.445 6.267 3.348 1.00 0.00 O ATOM 0 H GLY A 902 7.899 3.560 4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 902 7.923 6.173 4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 902 8.896 5.837 5.587 1.00 0.00 H new ATOM 251 N TYR A 903 10.165 4.036 3.429 1.00 0.00 N ATOM 252 CA TYR A 903 11.326 3.750 2.595 1.00 0.00 C ATOM 253 C TYR A 903 10.932 3.665 1.124 1.00 0.00 C ATOM 254 O TYR A 903 10.073 2.869 0.744 1.00 0.00 O ATOM 255 CB TYR A 903 11.985 2.441 3.034 1.00 0.00 C ATOM 256 CG TYR A 903 12.688 2.536 4.370 1.00 0.00 C ATOM 257 CD1 TYR A 903 11.964 2.635 5.552 1.00 0.00 C ATOM 258 CD2 TYR A 903 14.075 2.524 4.450 1.00 0.00 C ATOM 259 CE1 TYR A 903 12.602 2.723 6.775 1.00 0.00 C ATOM 260 CE2 TYR A 903 14.721 2.610 5.668 1.00 0.00 C ATOM 261 CZ TYR A 903 13.980 2.709 6.827 1.00 0.00 C ATOM 262 OH TYR A 903 14.619 2.794 8.043 1.00 0.00 O ATOM 0 H TYR A 903 9.657 3.209 3.743 1.00 0.00 H new ATOM 0 HA TYR A 903 12.038 4.566 2.715 1.00 0.00 H new ATOM 0 HB2 TYR A 903 11.225 1.661 3.087 1.00 0.00 H new ATOM 0 HB3 TYR A 903 12.705 2.134 2.275 1.00 0.00 H new ATOM 0 HD1 TYR A 903 10.885 2.643 5.514 1.00 0.00 H new ATOM 0 HD2 TYR A 903 14.658 2.446 3.544 1.00 0.00 H new ATOM 0 HE1 TYR A 903 12.025 2.802 7.684 1.00 0.00 H new ATOM 0 HE2 TYR A 903 15.800 2.600 5.712 1.00 0.00 H new ATOM 0 HH TYR A 903 15.589 2.770 7.905 1.00 0.00 H new ATOM 272 N PHE A 904 11.568 4.490 0.299 1.00 0.00 N ATOM 273 CA PHE A 904 11.286 4.510 -1.131 1.00 0.00 C ATOM 274 C PHE A 904 12.293 3.658 -1.897 1.00 0.00 C ATOM 275 O PHE A 904 12.993 4.149 -2.782 1.00 0.00 O ATOM 276 CB PHE A 904 11.312 5.947 -1.658 1.00 0.00 C ATOM 277 CG PHE A 904 11.239 6.038 -3.155 1.00 0.00 C ATOM 278 CD1 PHE A 904 10.264 5.349 -3.858 1.00 0.00 C ATOM 279 CD2 PHE A 904 12.147 6.811 -3.860 1.00 0.00 C ATOM 280 CE1 PHE A 904 10.194 5.431 -5.236 1.00 0.00 C ATOM 281 CE2 PHE A 904 12.082 6.897 -5.238 1.00 0.00 C ATOM 282 CZ PHE A 904 11.105 6.205 -5.927 1.00 0.00 C ATOM 0 H PHE A 904 12.283 5.154 0.597 1.00 0.00 H new ATOM 0 HA PHE A 904 10.291 4.091 -1.285 1.00 0.00 H new ATOM 0 HB2 PHE A 904 10.476 6.499 -1.227 1.00 0.00 H new ATOM 0 HB3 PHE A 904 12.225 6.434 -1.317 1.00 0.00 H new ATOM 0 HD1 PHE A 904 9.550 4.741 -3.323 1.00 0.00 H new ATOM 0 HD2 PHE A 904 12.914 7.353 -3.327 1.00 0.00 H new ATOM 0 HE1 PHE A 904 9.428 4.890 -5.772 1.00 0.00 H new ATOM 0 HE2 PHE A 904 12.795 7.505 -5.776 1.00 0.00 H new ATOM 0 HZ PHE A 904 11.054 6.269 -7.004 1.00 0.00 H new ATOM 292 N SER A 905 12.362 2.377 -1.547 1.00 0.00 N ATOM 293 CA SER A 905 13.286 1.456 -2.198 1.00 0.00 C ATOM 294 C SER A 905 12.720 0.039 -2.216 1.00 0.00 C ATOM 295 O SER A 905 11.769 -0.269 -1.497 1.00 0.00 O ATOM 296 CB SER A 905 14.639 1.467 -1.482 1.00 0.00 C ATOM 297 OG SER A 905 15.428 2.567 -1.902 1.00 0.00 O ATOM 0 H SER A 905 11.789 1.954 -0.817 1.00 0.00 H new ATOM 0 HA SER A 905 13.424 1.787 -3.227 1.00 0.00 H new ATOM 0 HB2 SER A 905 14.484 1.517 -0.404 1.00 0.00 H new ATOM 0 HB3 SER A 905 15.169 0.536 -1.685 1.00 0.00 H new ATOM 0 HG SER A 905 14.859 3.222 -2.358 1.00 0.00 H new ATOM 303 N ILE A 906 13.310 -0.817 -3.042 1.00 0.00 N ATOM 304 CA ILE A 906 12.866 -2.201 -3.153 1.00 0.00 C ATOM 305 C ILE A 906 13.644 -3.106 -2.204 1.00 0.00 C ATOM 306 O ILE A 906 14.797 -2.832 -1.872 1.00 0.00 O ATOM 307 CB ILE A 906 13.022 -2.728 -4.592 1.00 0.00 C ATOM 308 CG1 ILE A 906 12.109 -1.954 -5.544 1.00 0.00 C ATOM 309 CG2 ILE A 906 12.712 -4.217 -4.646 1.00 0.00 C ATOM 310 CD1 ILE A 906 10.650 -2.337 -5.429 1.00 0.00 C ATOM 0 H ILE A 906 14.097 -0.577 -3.645 1.00 0.00 H new ATOM 0 HA ILE A 906 11.810 -2.217 -2.881 1.00 0.00 H new ATOM 0 HB ILE A 906 14.054 -2.579 -4.908 1.00 0.00 H new ATOM 0 HG12 ILE A 906 12.213 -0.887 -5.346 1.00 0.00 H new ATOM 0 HG13 ILE A 906 12.440 -2.122 -6.569 1.00 0.00 H new ATOM 0 HG21 ILE A 906 12.826 -4.576 -5.669 1.00 0.00 H new ATOM 0 HG22 ILE A 906 13.399 -4.756 -3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 906 11.688 -4.388 -4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 906 10.063 -1.748 -6.133 1.00 0.00 H new ATOM 0 HD12 ILE A 906 10.533 -3.397 -5.656 1.00 0.00 H new ATOM 0 HD13 ILE A 906 10.302 -2.143 -4.415 1.00 0.00 H new ATOM 322 N CYS A 907 13.005 -4.188 -1.771 1.00 0.00 N ATOM 323 CA CYS A 907 13.637 -5.136 -0.861 1.00 0.00 C ATOM 324 C CYS A 907 14.468 -6.158 -1.632 1.00 0.00 C ATOM 325 O CYS A 907 13.935 -6.946 -2.413 1.00 0.00 O ATOM 326 CB CYS A 907 12.577 -5.853 -0.022 1.00 0.00 C ATOM 327 SG CYS A 907 13.260 -6.887 1.313 1.00 0.00 S ATOM 0 H CYS A 907 12.050 -4.430 -2.036 1.00 0.00 H new ATOM 0 HA CYS A 907 14.300 -4.580 -0.199 1.00 0.00 H new ATOM 0 HB2 CYS A 907 11.910 -5.109 0.414 1.00 0.00 H new ATOM 0 HB3 CYS A 907 11.972 -6.479 -0.678 1.00 0.00 H new ATOM 332 N ASP A 908 15.777 -6.139 -1.405 1.00 0.00 N ATOM 333 CA ASP A 908 16.683 -7.064 -2.076 1.00 0.00 C ATOM 334 C ASP A 908 16.281 -8.510 -1.805 1.00 0.00 C ATOM 335 O ASP A 908 16.390 -9.369 -2.680 1.00 0.00 O ATOM 336 CB ASP A 908 18.122 -6.826 -1.615 1.00 0.00 C ATOM 337 CG ASP A 908 18.792 -5.694 -2.369 1.00 0.00 C ATOM 338 OD1 ASP A 908 18.731 -5.694 -3.617 1.00 0.00 O ATOM 339 OD2 ASP A 908 19.376 -4.808 -1.712 1.00 0.00 O ATOM 0 H ASP A 908 16.234 -5.493 -0.761 1.00 0.00 H new ATOM 0 HA ASP A 908 16.619 -6.883 -3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 908 18.126 -6.601 -0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 908 18.700 -7.740 -1.750 1.00 0.00 H new ATOM 344 N ARG A 909 15.818 -8.772 -0.587 1.00 0.00 N ATOM 345 CA ARG A 909 15.402 -10.115 -0.200 1.00 0.00 C ATOM 346 C ARG A 909 14.190 -10.564 -1.011 1.00 0.00 C ATOM 347 O ARG A 909 14.166 -11.670 -1.550 1.00 0.00 O ATOM 348 CB ARG A 909 15.076 -10.160 1.294 1.00 0.00 C ATOM 349 CG ARG A 909 16.258 -9.820 2.186 1.00 0.00 C ATOM 350 CD ARG A 909 16.339 -8.326 2.458 1.00 0.00 C ATOM 351 NE ARG A 909 17.090 -8.032 3.676 1.00 0.00 N ATOM 352 CZ ARG A 909 17.747 -6.895 3.877 1.00 0.00 C ATOM 353 NH1 ARG A 909 17.745 -5.951 2.946 1.00 0.00 N ATOM 354 NH2 ARG A 909 18.408 -6.701 5.011 1.00 0.00 N ATOM 0 H ARG A 909 15.721 -8.072 0.149 1.00 0.00 H new ATOM 0 HA ARG A 909 16.227 -10.797 -0.405 1.00 0.00 H new ATOM 0 HB2 ARG A 909 14.263 -9.464 1.501 1.00 0.00 H new ATOM 0 HB3 ARG A 909 14.714 -11.156 1.548 1.00 0.00 H new ATOM 0 HG2 ARG A 909 16.170 -10.358 3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 909 17.181 -10.155 1.713 1.00 0.00 H new ATOM 0 HD2 ARG A 909 16.812 -7.828 1.611 1.00 0.00 H new ATOM 0 HD3 ARG A 909 15.332 -7.918 2.546 1.00 0.00 H new ATOM 0 HE ARG A 909 17.111 -8.738 4.412 1.00 0.00 H new ATOM 0 HH11 ARG A 909 17.238 -6.097 2.073 1.00 0.00 H new ATOM 0 HH12 ARG A 909 18.250 -5.079 3.103 1.00 0.00 H new ATOM 0 HH21 ARG A 909 18.412 -7.425 5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 909 18.912 -5.828 5.164 1.00 0.00 H new ATOM 368 N TYR A 910 13.186 -9.698 -1.091 1.00 0.00 N ATOM 369 CA TYR A 910 11.969 -10.006 -1.833 1.00 0.00 C ATOM 370 C TYR A 910 12.262 -10.156 -3.323 1.00 0.00 C ATOM 371 O TYR A 910 11.832 -11.119 -3.957 1.00 0.00 O ATOM 372 CB TYR A 910 10.923 -8.911 -1.616 1.00 0.00 C ATOM 373 CG TYR A 910 9.677 -9.088 -2.454 1.00 0.00 C ATOM 374 CD1 TYR A 910 8.680 -9.978 -2.073 1.00 0.00 C ATOM 375 CD2 TYR A 910 9.498 -8.367 -3.628 1.00 0.00 C ATOM 376 CE1 TYR A 910 7.541 -10.144 -2.836 1.00 0.00 C ATOM 377 CE2 TYR A 910 8.361 -8.525 -4.397 1.00 0.00 C ATOM 378 CZ TYR A 910 7.385 -9.415 -3.997 1.00 0.00 C ATOM 379 OH TYR A 910 6.252 -9.577 -4.760 1.00 0.00 O ATOM 0 H TYR A 910 13.191 -8.778 -0.651 1.00 0.00 H new ATOM 0 HA TYR A 910 11.577 -10.953 -1.461 1.00 0.00 H new ATOM 0 HB2 TYR A 910 10.643 -8.892 -0.563 1.00 0.00 H new ATOM 0 HB3 TYR A 910 11.370 -7.943 -1.844 1.00 0.00 H new ATOM 0 HD1 TYR A 910 8.798 -10.550 -1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 910 10.261 -7.671 -3.945 1.00 0.00 H new ATOM 0 HE1 TYR A 910 6.776 -10.841 -2.526 1.00 0.00 H new ATOM 0 HE2 TYR A 910 8.237 -7.955 -5.306 1.00 0.00 H new ATOM 0 HH TYR A 910 6.298 -8.990 -5.543 1.00 0.00 H new ATOM 389 N MET A 911 12.998 -9.197 -3.874 1.00 0.00 N ATOM 390 CA MET A 911 13.352 -9.222 -5.288 1.00 0.00 C ATOM 391 C MET A 911 14.106 -10.502 -5.637 1.00 0.00 C ATOM 392 O MET A 911 13.915 -11.073 -6.710 1.00 0.00 O ATOM 393 CB MET A 911 14.202 -8.002 -5.646 1.00 0.00 C ATOM 394 CG MET A 911 13.382 -6.797 -6.080 1.00 0.00 C ATOM 395 SD MET A 911 12.419 -7.112 -7.571 1.00 0.00 S ATOM 396 CE MET A 911 10.752 -6.937 -6.939 1.00 0.00 C ATOM 0 H MET A 911 13.361 -8.393 -3.363 1.00 0.00 H new ATOM 0 HA MET A 911 12.429 -9.195 -5.868 1.00 0.00 H new ATOM 0 HB2 MET A 911 14.809 -7.727 -4.784 1.00 0.00 H new ATOM 0 HB3 MET A 911 14.890 -8.271 -6.448 1.00 0.00 H new ATOM 0 HG2 MET A 911 12.709 -6.510 -5.272 1.00 0.00 H new ATOM 0 HG3 MET A 911 14.049 -5.953 -6.255 1.00 0.00 H new ATOM 0 HE1 MET A 911 10.041 -7.015 -7.761 1.00 0.00 H new ATOM 0 HE2 MET A 911 10.554 -7.725 -6.212 1.00 0.00 H new ATOM 0 HE3 MET A 911 10.645 -5.964 -6.459 1.00 0.00 H new ATOM 406 N ASN A 912 14.964 -10.945 -4.724 1.00 0.00 N ATOM 407 CA ASN A 912 15.748 -12.157 -4.936 1.00 0.00 C ATOM 408 C ASN A 912 14.845 -13.386 -4.992 1.00 0.00 C ATOM 409 O ASN A 912 15.019 -14.258 -5.842 1.00 0.00 O ATOM 410 CB ASN A 912 16.783 -12.321 -3.822 1.00 0.00 C ATOM 411 CG ASN A 912 18.092 -11.626 -4.142 1.00 0.00 C ATOM 412 OD1 ASN A 912 19.159 -12.240 -4.106 1.00 0.00 O ATOM 413 ND2 ASN A 912 18.017 -10.338 -4.457 1.00 0.00 N ATOM 0 H ASN A 912 15.134 -10.483 -3.831 1.00 0.00 H new ATOM 0 HA ASN A 912 16.264 -12.064 -5.891 1.00 0.00 H new ATOM 0 HB2 ASN A 912 16.379 -11.919 -2.893 1.00 0.00 H new ATOM 0 HB3 ASN A 912 16.969 -13.382 -3.656 1.00 0.00 H new ATOM 0 HD21 ASN A 912 18.865 -9.818 -4.682 1.00 0.00 H new ATOM 0 HD22 ASN A 912 17.111 -9.869 -4.474 1.00 0.00 H new ATOM 420 N GLY A 913 13.880 -13.446 -4.080 1.00 0.00 N ATOM 421 CA GLY A 913 12.964 -14.572 -4.044 1.00 0.00 C ATOM 422 C GLY A 913 12.066 -14.549 -2.823 1.00 0.00 C ATOM 423 O GLY A 913 10.845 -14.441 -2.942 1.00 0.00 O ATOM 0 H GLY A 913 13.716 -12.736 -3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 913 12.349 -14.565 -4.944 1.00 0.00 H new ATOM 0 HA3 GLY A 913 13.534 -15.501 -4.055 1.00 0.00 H new ATOM 427 N THR A 914 12.670 -14.652 -1.643 1.00 0.00 N ATOM 428 CA THR A 914 11.918 -14.646 -0.395 1.00 0.00 C ATOM 429 C THR A 914 12.452 -13.588 0.564 1.00 0.00 C ATOM 430 O THR A 914 13.656 -13.338 0.620 1.00 0.00 O ATOM 431 CB THR A 914 11.966 -16.021 0.297 1.00 0.00 C ATOM 432 OG1 THR A 914 11.159 -16.003 1.480 1.00 0.00 O ATOM 433 CG2 THR A 914 13.395 -16.396 0.657 1.00 0.00 C ATOM 0 H THR A 914 13.679 -14.741 -1.526 1.00 0.00 H new ATOM 0 HA THR A 914 10.884 -14.412 -0.650 1.00 0.00 H new ATOM 0 HB THR A 914 11.576 -16.766 -0.397 1.00 0.00 H new ATOM 0 HG1 THR A 914 11.194 -16.881 1.913 1.00 0.00 H new ATOM 0 HG21 THR A 914 13.404 -17.371 1.145 1.00 0.00 H new ATOM 0 HG22 THR A 914 13.999 -16.438 -0.249 1.00 0.00 H new ATOM 0 HG23 THR A 914 13.808 -15.648 1.334 1.00 0.00 H new ATOM 441 N CYS A 915 11.549 -12.970 1.317 1.00 0.00 N ATOM 442 CA CYS A 915 11.929 -11.938 2.275 1.00 0.00 C ATOM 443 C CYS A 915 11.558 -12.352 3.696 1.00 0.00 C ATOM 444 O CYS A 915 10.535 -12.994 3.935 1.00 0.00 O ATOM 445 CB CYS A 915 11.250 -10.612 1.925 1.00 0.00 C ATOM 446 SG CYS A 915 11.065 -9.476 3.336 1.00 0.00 S ATOM 0 H CYS A 915 10.549 -13.166 1.283 1.00 0.00 H new ATOM 0 HA CYS A 915 13.010 -11.810 2.223 1.00 0.00 H new ATOM 0 HB2 CYS A 915 11.828 -10.115 1.146 1.00 0.00 H new ATOM 0 HB3 CYS A 915 10.265 -10.820 1.508 1.00 0.00 H new ATOM 451 N PRO A 916 12.409 -11.977 4.663 1.00 0.00 N ATOM 452 CA PRO A 916 12.192 -12.298 6.077 1.00 0.00 C ATOM 453 C PRO A 916 11.020 -11.525 6.673 1.00 0.00 C ATOM 454 O PRO A 916 10.173 -12.097 7.358 1.00 0.00 O ATOM 455 CB PRO A 916 13.504 -11.875 6.742 1.00 0.00 C ATOM 456 CG PRO A 916 14.064 -10.827 5.843 1.00 0.00 C ATOM 457 CD PRO A 916 13.648 -11.211 4.450 1.00 0.00 C ATOM 0 HA PRO A 916 11.944 -13.349 6.223 1.00 0.00 H new ATOM 0 HB2 PRO A 916 13.332 -11.485 7.745 1.00 0.00 H new ATOM 0 HB3 PRO A 916 14.188 -12.718 6.841 1.00 0.00 H new ATOM 0 HG2 PRO A 916 13.681 -9.841 6.107 1.00 0.00 H new ATOM 0 HG3 PRO A 916 15.150 -10.780 5.927 1.00 0.00 H new ATOM 0 HD2 PRO A 916 13.476 -10.334 3.826 1.00 0.00 H new ATOM 0 HD3 PRO A 916 14.411 -11.811 3.954 1.00 0.00 H new ATOM 465 N GLU A 917 10.978 -10.223 6.406 1.00 0.00 N ATOM 466 CA GLU A 917 9.909 -9.373 6.918 1.00 0.00 C ATOM 467 C GLU A 917 8.546 -9.873 6.450 1.00 0.00 C ATOM 468 O GLU A 917 7.771 -10.421 7.233 1.00 0.00 O ATOM 469 CB GLU A 917 10.117 -7.927 6.465 1.00 0.00 C ATOM 470 CG GLU A 917 11.319 -7.254 7.107 1.00 0.00 C ATOM 471 CD GLU A 917 11.234 -7.229 8.621 1.00 0.00 C ATOM 472 OE1 GLU A 917 10.465 -6.406 9.159 1.00 0.00 O ATOM 473 OE2 GLU A 917 11.937 -8.034 9.267 1.00 0.00 O ATOM 0 H GLU A 917 11.671 -9.734 5.839 1.00 0.00 H new ATOM 0 HA GLU A 917 9.937 -9.413 8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 917 10.237 -7.908 5.382 1.00 0.00 H new ATOM 0 HB3 GLU A 917 9.222 -7.350 6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 917 12.227 -7.777 6.806 1.00 0.00 H new ATOM 0 HG3 GLU A 917 11.401 -6.233 6.735 1.00 0.00 H new ATOM 480 N GLY A 918 8.259 -9.680 5.166 1.00 0.00 N ATOM 481 CA GLY A 918 6.989 -10.115 4.616 1.00 0.00 C ATOM 482 C GLY A 918 6.101 -8.954 4.216 1.00 0.00 C ATOM 483 O GLY A 918 6.472 -8.143 3.368 1.00 0.00 O ATOM 0 H GLY A 918 8.884 -9.230 4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 918 7.171 -10.746 3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 918 6.469 -10.729 5.352 1.00 0.00 H new ATOM 487 N ASN A 919 4.924 -8.873 4.828 1.00 0.00 N ATOM 488 CA ASN A 919 3.979 -7.803 4.529 1.00 0.00 C ATOM 489 C ASN A 919 4.271 -6.568 5.376 1.00 0.00 C ATOM 490 O ASN A 919 3.980 -5.442 4.971 1.00 0.00 O ATOM 491 CB ASN A 919 2.545 -8.277 4.776 1.00 0.00 C ATOM 492 CG ASN A 919 2.274 -8.563 6.240 1.00 0.00 C ATOM 493 OD1 ASN A 919 2.583 -9.645 6.740 1.00 0.00 O ATOM 494 ND2 ASN A 919 1.695 -7.592 6.935 1.00 0.00 N ATOM 0 H ASN A 919 4.602 -9.535 5.534 1.00 0.00 H new ATOM 0 HA ASN A 919 4.090 -7.536 3.478 1.00 0.00 H new ATOM 0 HB2 ASN A 919 1.848 -7.517 4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 919 2.358 -9.178 4.192 1.00 0.00 H new ATOM 0 HD21 ASN A 919 1.489 -7.726 7.925 1.00 0.00 H new ATOM 0 HD22 ASN A 919 1.456 -6.711 6.479 1.00 0.00 H new ATOM 501 N SER A 920 4.847 -6.787 6.553 1.00 0.00 N ATOM 502 CA SER A 920 5.176 -5.692 7.459 1.00 0.00 C ATOM 503 C SER A 920 6.617 -5.233 7.256 1.00 0.00 C ATOM 504 O SER A 920 7.256 -4.728 8.179 1.00 0.00 O ATOM 505 CB SER A 920 4.966 -6.123 8.911 1.00 0.00 C ATOM 506 OG SER A 920 4.663 -5.011 9.735 1.00 0.00 O ATOM 0 H SER A 920 5.096 -7.713 6.902 1.00 0.00 H new ATOM 0 HA SER A 920 4.512 -4.857 7.236 1.00 0.00 H new ATOM 0 HB2 SER A 920 4.156 -6.850 8.964 1.00 0.00 H new ATOM 0 HB3 SER A 920 5.864 -6.619 9.280 1.00 0.00 H new ATOM 0 HG SER A 920 4.532 -5.314 10.658 1.00 0.00 H new ATOM 512 N CYS A 921 7.123 -5.414 6.040 1.00 0.00 N ATOM 513 CA CYS A 921 8.488 -5.020 5.714 1.00 0.00 C ATOM 514 C CYS A 921 8.574 -3.518 5.455 1.00 0.00 C ATOM 515 O CYS A 921 7.606 -2.896 5.018 1.00 0.00 O ATOM 516 CB CYS A 921 8.983 -5.788 4.487 1.00 0.00 C ATOM 517 SG CYS A 921 10.777 -5.652 4.198 1.00 0.00 S ATOM 0 H CYS A 921 6.608 -5.831 5.265 1.00 0.00 H new ATOM 0 HA CYS A 921 9.122 -5.261 6.567 1.00 0.00 H new ATOM 0 HB2 CYS A 921 8.723 -6.840 4.601 1.00 0.00 H new ATOM 0 HB3 CYS A 921 8.455 -5.423 3.606 1.00 0.00 H new ATOM 522 N LYS A 922 9.739 -2.942 5.729 1.00 0.00 N ATOM 523 CA LYS A 922 9.954 -1.514 5.526 1.00 0.00 C ATOM 524 C LYS A 922 10.280 -1.216 4.066 1.00 0.00 C ATOM 525 O LYS A 922 10.036 -0.112 3.578 1.00 0.00 O ATOM 526 CB LYS A 922 11.087 -1.015 6.425 1.00 0.00 C ATOM 527 CG LYS A 922 12.459 -1.522 6.014 1.00 0.00 C ATOM 528 CD LYS A 922 13.569 -0.691 6.633 1.00 0.00 C ATOM 529 CE LYS A 922 14.908 -1.410 6.566 1.00 0.00 C ATOM 530 NZ LYS A 922 15.867 -0.894 7.581 1.00 0.00 N ATOM 0 H LYS A 922 10.550 -3.443 6.093 1.00 0.00 H new ATOM 0 HA LYS A 922 9.034 -0.992 5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 922 11.094 0.075 6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 922 10.888 -1.323 7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 922 12.569 -2.563 6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 922 12.547 -1.497 4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 922 13.642 0.265 6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 922 13.324 -0.472 7.672 1.00 0.00 H new ATOM 0 HE2 LYS A 922 14.755 -2.478 6.721 1.00 0.00 H new ATOM 0 HE3 LYS A 922 15.335 -1.291 5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 16.767 -1.410 7.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 16.033 0.120 7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 15.472 -1.031 8.533 1.00 0.00 H new ATOM 544 N PHE A 923 10.832 -2.206 3.373 1.00 0.00 N ATOM 545 CA PHE A 923 11.191 -2.049 1.969 1.00 0.00 C ATOM 546 C PHE A 923 10.016 -2.407 1.064 1.00 0.00 C ATOM 547 O PHE A 923 8.994 -2.913 1.526 1.00 0.00 O ATOM 548 CB PHE A 923 12.397 -2.927 1.627 1.00 0.00 C ATOM 549 CG PHE A 923 13.703 -2.366 2.112 1.00 0.00 C ATOM 550 CD1 PHE A 923 14.128 -1.111 1.704 1.00 0.00 C ATOM 551 CD2 PHE A 923 14.507 -3.092 2.975 1.00 0.00 C ATOM 552 CE1 PHE A 923 15.329 -0.592 2.148 1.00 0.00 C ATOM 553 CE2 PHE A 923 15.709 -2.578 3.423 1.00 0.00 C ATOM 554 CZ PHE A 923 16.121 -1.326 3.008 1.00 0.00 C ATOM 0 H PHE A 923 11.041 -3.126 3.761 1.00 0.00 H new ATOM 0 HA PHE A 923 11.452 -1.004 1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 923 12.252 -3.916 2.062 1.00 0.00 H new ATOM 0 HB3 PHE A 923 12.446 -3.058 0.546 1.00 0.00 H new ATOM 0 HD1 PHE A 923 13.513 -0.532 1.031 1.00 0.00 H new ATOM 0 HD2 PHE A 923 14.191 -4.072 3.302 1.00 0.00 H new ATOM 0 HE1 PHE A 923 15.648 0.387 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 923 16.326 -3.154 4.097 1.00 0.00 H new ATOM 0 HZ PHE A 923 17.061 -0.923 3.356 1.00 0.00 H new ATOM 564 N ALA A 924 10.169 -2.139 -0.229 1.00 0.00 N ATOM 565 CA ALA A 924 9.122 -2.433 -1.200 1.00 0.00 C ATOM 566 C ALA A 924 9.197 -3.883 -1.665 1.00 0.00 C ATOM 567 O ALA A 924 10.283 -4.438 -1.830 1.00 0.00 O ATOM 568 CB ALA A 924 9.225 -1.489 -2.389 1.00 0.00 C ATOM 0 H ALA A 924 11.008 -1.719 -0.628 1.00 0.00 H new ATOM 0 HA ALA A 924 8.158 -2.284 -0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 924 8.437 -1.720 -3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 924 9.114 -0.460 -2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 924 10.197 -1.610 -2.867 1.00 0.00 H new ATOM 574 N HIS A 925 8.034 -4.493 -1.874 1.00 0.00 N ATOM 575 CA HIS A 925 7.968 -5.880 -2.321 1.00 0.00 C ATOM 576 C HIS A 925 7.365 -5.972 -3.719 1.00 0.00 C ATOM 577 O HIS A 925 6.196 -6.318 -3.881 1.00 0.00 O ATOM 578 CB HIS A 925 7.142 -6.714 -1.341 1.00 0.00 C ATOM 579 CG HIS A 925 7.915 -7.168 -0.141 1.00 0.00 C ATOM 580 ND1 HIS A 925 7.494 -8.191 0.683 1.00 0.00 N ATOM 581 CD2 HIS A 925 9.089 -6.732 0.372 1.00 0.00 C ATOM 582 CE1 HIS A 925 8.376 -8.364 1.651 1.00 0.00 C ATOM 583 NE2 HIS A 925 9.354 -7.491 1.486 1.00 0.00 N ATOM 0 H HIS A 925 7.125 -4.049 -1.741 1.00 0.00 H new ATOM 0 HA HIS A 925 8.984 -6.274 -2.356 1.00 0.00 H new ATOM 0 HB2 HIS A 925 6.285 -6.127 -1.010 1.00 0.00 H new ATOM 0 HB3 HIS A 925 6.749 -7.587 -1.861 1.00 0.00 H new ATOM 0 HD1 HIS A 925 6.636 -8.730 0.564 1.00 0.00 H new ATOM 0 HD2 HIS A 925 9.703 -5.936 -0.021 1.00 0.00 H new ATOM 0 HE1 HIS A 925 8.309 -9.095 2.443 1.00 0.00 H new ATOM 591 N GLY A 926 8.173 -5.660 -4.728 1.00 0.00 N ATOM 592 CA GLY A 926 7.702 -5.713 -6.100 1.00 0.00 C ATOM 593 C GLY A 926 7.662 -4.345 -6.753 1.00 0.00 C ATOM 594 O GLY A 926 7.180 -3.381 -6.161 1.00 0.00 O ATOM 0 H GLY A 926 9.145 -5.371 -4.620 1.00 0.00 H new ATOM 0 HA2 GLY A 926 8.352 -6.370 -6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 926 6.704 -6.152 -6.122 1.00 0.00 H new ATOM 598 N ASN A 927 8.173 -4.261 -7.977 1.00 0.00 N ATOM 599 CA ASN A 927 8.196 -3.001 -8.711 1.00 0.00 C ATOM 600 C ASN A 927 6.820 -2.344 -8.707 1.00 0.00 C ATOM 601 O ASN A 927 6.695 -1.141 -8.478 1.00 0.00 O ATOM 602 CB ASN A 927 8.660 -3.233 -10.150 1.00 0.00 C ATOM 603 CG ASN A 927 8.139 -4.537 -10.722 1.00 0.00 C ATOM 604 OD1 ASN A 927 6.951 -4.843 -10.619 1.00 0.00 O ATOM 605 ND2 ASN A 927 9.029 -5.315 -11.328 1.00 0.00 N ATOM 0 H ASN A 927 8.577 -5.050 -8.481 1.00 0.00 H new ATOM 0 HA ASN A 927 8.899 -2.332 -8.214 1.00 0.00 H new ATOM 0 HB2 ASN A 927 8.324 -2.405 -10.775 1.00 0.00 H new ATOM 0 HB3 ASN A 927 9.750 -3.235 -10.182 1.00 0.00 H new ATOM 0 HD21 ASN A 927 8.737 -6.206 -11.731 1.00 0.00 H new ATOM 0 HD22 ASN A 927 10.004 -5.022 -11.390 1.00 0.00 H new ATOM 612 N ALA A 928 5.788 -3.143 -8.963 1.00 0.00 N ATOM 613 CA ALA A 928 4.420 -2.640 -8.988 1.00 0.00 C ATOM 614 C ALA A 928 4.025 -2.058 -7.634 1.00 0.00 C ATOM 615 O ALA A 928 3.467 -0.965 -7.558 1.00 0.00 O ATOM 616 CB ALA A 928 3.458 -3.748 -9.389 1.00 0.00 C ATOM 0 H ALA A 928 5.874 -4.141 -9.156 1.00 0.00 H new ATOM 0 HA ALA A 928 4.366 -1.841 -9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 928 2.440 -3.358 -9.404 1.00 0.00 H new ATOM 0 HB2 ALA A 928 3.720 -4.116 -10.381 1.00 0.00 H new ATOM 0 HB3 ALA A 928 3.524 -4.565 -8.670 1.00 0.00 H new ATOM 622 N GLU A 929 4.319 -2.798 -6.569 1.00 0.00 N ATOM 623 CA GLU A 929 3.992 -2.355 -5.219 1.00 0.00 C ATOM 624 C GLU A 929 4.563 -0.966 -4.949 1.00 0.00 C ATOM 625 O GLU A 929 3.864 -0.080 -4.455 1.00 0.00 O ATOM 626 CB GLU A 929 4.530 -3.349 -4.188 1.00 0.00 C ATOM 627 CG GLU A 929 3.796 -3.304 -2.858 1.00 0.00 C ATOM 628 CD GLU A 929 4.030 -4.546 -2.020 1.00 0.00 C ATOM 629 OE1 GLU A 929 3.737 -5.656 -2.512 1.00 0.00 O ATOM 630 OE2 GLU A 929 4.505 -4.408 -0.874 1.00 0.00 O ATOM 0 H GLU A 929 4.782 -3.706 -6.615 1.00 0.00 H new ATOM 0 HA GLU A 929 2.907 -2.306 -5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 929 4.461 -4.357 -4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 929 5.587 -3.146 -4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 929 4.120 -2.426 -2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 929 2.728 -3.190 -3.041 1.00 0.00 H new ATOM 637 N LEU A 930 5.837 -0.783 -5.276 1.00 0.00 N ATOM 638 CA LEU A 930 6.504 0.498 -5.069 1.00 0.00 C ATOM 639 C LEU A 930 5.704 1.636 -5.694 1.00 0.00 C ATOM 640 O LEU A 930 5.406 2.634 -5.036 1.00 0.00 O ATOM 641 CB LEU A 930 7.913 0.464 -5.664 1.00 0.00 C ATOM 642 CG LEU A 930 8.802 1.670 -5.356 1.00 0.00 C ATOM 643 CD1 LEU A 930 9.364 1.571 -3.946 1.00 0.00 C ATOM 644 CD2 LEU A 930 9.927 1.778 -6.374 1.00 0.00 C ATOM 0 H LEU A 930 6.429 -1.505 -5.686 1.00 0.00 H new ATOM 0 HA LEU A 930 6.573 0.674 -3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 930 8.416 -0.434 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 930 7.826 0.369 -6.746 1.00 0.00 H new ATOM 0 HG LEU A 930 8.194 2.572 -5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 930 9.994 2.437 -3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 930 8.544 1.543 -3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 930 9.957 0.661 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 930 10.549 2.642 -6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 930 10.535 0.874 -6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 930 9.505 1.896 -7.372 1.00 0.00 H new ATOM 656 N HIS A 931 5.357 1.479 -6.967 1.00 0.00 N ATOM 657 CA HIS A 931 4.587 2.493 -7.680 1.00 0.00 C ATOM 658 C HIS A 931 3.508 3.088 -6.781 1.00 0.00 C ATOM 659 O HIS A 931 3.453 4.301 -6.582 1.00 0.00 O ATOM 660 CB HIS A 931 3.950 1.892 -8.933 1.00 0.00 C ATOM 661 CG HIS A 931 4.936 1.239 -9.853 1.00 0.00 C ATOM 662 ND1 HIS A 931 4.565 0.386 -10.871 1.00 0.00 N ATOM 663 CD2 HIS A 931 6.286 1.320 -9.905 1.00 0.00 C ATOM 664 CE1 HIS A 931 5.645 -0.031 -11.508 1.00 0.00 C ATOM 665 NE2 HIS A 931 6.702 0.521 -10.941 1.00 0.00 N ATOM 0 H HIS A 931 5.596 0.660 -7.526 1.00 0.00 H new ATOM 0 HA HIS A 931 5.269 3.291 -7.975 1.00 0.00 H new ATOM 0 HB2 HIS A 931 3.203 1.157 -8.634 1.00 0.00 H new ATOM 0 HB3 HIS A 931 3.424 2.678 -9.476 1.00 0.00 H new ATOM 0 HD2 HIS A 931 6.918 1.904 -9.253 1.00 0.00 H new ATOM 0 HE1 HIS A 931 5.661 -0.708 -12.349 1.00 0.00 H new ATOM 0 HE2 HIS A 931 7.671 0.377 -11.226 1.00 0.00 H new ATOM 673 N GLU A 932 2.651 2.225 -6.243 1.00 0.00 N ATOM 674 CA GLU A 932 1.573 2.667 -5.367 1.00 0.00 C ATOM 675 C GLU A 932 2.129 3.322 -4.106 1.00 0.00 C ATOM 676 O GLU A 932 1.592 4.318 -3.622 1.00 0.00 O ATOM 677 CB GLU A 932 0.676 1.486 -4.989 1.00 0.00 C ATOM 678 CG GLU A 932 -0.112 0.921 -6.159 1.00 0.00 C ATOM 679 CD GLU A 932 0.661 -0.132 -6.929 1.00 0.00 C ATOM 680 OE1 GLU A 932 1.429 -0.886 -6.294 1.00 0.00 O ATOM 681 OE2 GLU A 932 0.499 -0.202 -8.165 1.00 0.00 O ATOM 0 H GLU A 932 2.683 1.217 -6.399 1.00 0.00 H new ATOM 0 HA GLU A 932 0.981 3.405 -5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 932 1.292 0.695 -4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 932 -0.020 1.803 -4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 932 -1.041 0.487 -5.790 1.00 0.00 H new ATOM 0 HG3 GLU A 932 -0.385 1.732 -6.834 1.00 0.00 H new ATOM 688 N TRP A 933 3.208 2.754 -3.579 1.00 0.00 N ATOM 689 CA TRP A 933 3.838 3.281 -2.374 1.00 0.00 C ATOM 690 C TRP A 933 4.256 4.734 -2.569 1.00 0.00 C ATOM 691 O TRP A 933 4.004 5.582 -1.714 1.00 0.00 O ATOM 692 CB TRP A 933 5.054 2.433 -1.997 1.00 0.00 C ATOM 693 CG TRP A 933 4.724 1.297 -1.076 1.00 0.00 C ATOM 694 CD1 TRP A 933 3.501 0.717 -0.897 1.00 0.00 C ATOM 695 CD2 TRP A 933 5.629 0.606 -0.209 1.00 0.00 C ATOM 696 NE1 TRP A 933 3.591 -0.294 0.030 1.00 0.00 N ATOM 697 CE2 TRP A 933 4.886 -0.382 0.466 1.00 0.00 C ATOM 698 CE3 TRP A 933 6.995 0.725 0.062 1.00 0.00 C ATOM 699 CZ2 TRP A 933 5.465 -1.244 1.394 1.00 0.00 C ATOM 700 CZ3 TRP A 933 7.568 -0.131 0.983 1.00 0.00 C ATOM 701 CH2 TRP A 933 6.804 -1.105 1.640 1.00 0.00 C ATOM 0 H TRP A 933 3.665 1.929 -3.967 1.00 0.00 H new ATOM 0 HA TRP A 933 3.109 3.238 -1.565 1.00 0.00 H new ATOM 0 HB2 TRP A 933 5.506 2.035 -2.905 1.00 0.00 H new ATOM 0 HB3 TRP A 933 5.800 3.071 -1.523 1.00 0.00 H new ATOM 0 HD1 TRP A 933 2.596 1.010 -1.409 1.00 0.00 H new ATOM 0 HE1 TRP A 933 2.819 -0.883 0.342 1.00 0.00 H new ATOM 0 HE3 TRP A 933 7.592 1.472 -0.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 933 4.878 -1.995 1.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 933 8.623 -0.048 1.200 1.00 0.00 H new ATOM 0 HH2 TRP A 933 7.281 -1.759 2.355 1.00 0.00 H new ATOM 712 N GLU A 934 4.897 5.014 -3.700 1.00 0.00 N ATOM 713 CA GLU A 934 5.351 6.366 -4.005 1.00 0.00 C ATOM 714 C GLU A 934 4.237 7.381 -3.765 1.00 0.00 C ATOM 715 O GLU A 934 4.449 8.407 -3.120 1.00 0.00 O ATOM 716 CB GLU A 934 5.829 6.451 -5.457 1.00 0.00 C ATOM 717 CG GLU A 934 7.075 5.628 -5.737 1.00 0.00 C ATOM 718 CD GLU A 934 7.504 5.695 -7.189 1.00 0.00 C ATOM 719 OE1 GLU A 934 7.291 6.751 -7.822 1.00 0.00 O ATOM 720 OE2 GLU A 934 8.052 4.693 -7.694 1.00 0.00 O ATOM 0 H GLU A 934 5.113 4.324 -4.419 1.00 0.00 H new ATOM 0 HA GLU A 934 6.183 6.601 -3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 934 5.027 6.116 -6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 934 6.029 7.494 -5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 934 7.889 5.982 -5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 934 6.888 4.589 -5.465 1.00 0.00 H new ATOM 727 N GLU A 935 3.051 7.085 -4.288 1.00 0.00 N ATOM 728 CA GLU A 935 1.905 7.972 -4.130 1.00 0.00 C ATOM 729 C GLU A 935 1.397 7.954 -2.692 1.00 0.00 C ATOM 730 O GLU A 935 1.298 8.997 -2.044 1.00 0.00 O ATOM 731 CB GLU A 935 0.781 7.564 -5.085 1.00 0.00 C ATOM 732 CG GLU A 935 1.075 7.882 -6.542 1.00 0.00 C ATOM 733 CD GLU A 935 1.234 9.369 -6.794 1.00 0.00 C ATOM 734 OE1 GLU A 935 2.280 9.927 -6.402 1.00 0.00 O ATOM 735 OE2 GLU A 935 0.314 9.974 -7.382 1.00 0.00 O ATOM 0 H GLU A 935 2.859 6.239 -4.824 1.00 0.00 H new ATOM 0 HA GLU A 935 2.227 8.985 -4.370 1.00 0.00 H new ATOM 0 HB2 GLU A 935 0.601 6.494 -4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 935 -0.138 8.071 -4.789 1.00 0.00 H new ATOM 0 HG2 GLU A 935 1.986 7.366 -6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 935 0.268 7.496 -7.164 1.00 0.00 H new ATOM 742 N ARG A 936 1.074 6.763 -2.199 1.00 0.00 N ATOM 743 CA ARG A 936 0.574 6.609 -0.838 1.00 0.00 C ATOM 744 C ARG A 936 1.250 7.600 0.105 1.00 0.00 C ATOM 745 O ARG A 936 0.583 8.398 0.764 1.00 0.00 O ATOM 746 CB ARG A 936 0.807 5.180 -0.345 1.00 0.00 C ATOM 747 CG ARG A 936 -0.213 4.181 -0.868 1.00 0.00 C ATOM 748 CD ARG A 936 -0.034 2.814 -0.226 1.00 0.00 C ATOM 749 NE ARG A 936 -1.297 2.086 -0.128 1.00 0.00 N ATOM 750 CZ ARG A 936 -1.982 1.659 -1.183 1.00 0.00 C ATOM 751 NH1 ARG A 936 -1.529 1.886 -2.408 1.00 0.00 N ATOM 752 NH2 ARG A 936 -3.123 1.003 -1.013 1.00 0.00 N ATOM 0 H ARG A 936 1.150 5.890 -2.722 1.00 0.00 H new ATOM 0 HA ARG A 936 -0.497 6.813 -0.846 1.00 0.00 H new ATOM 0 HB2 ARG A 936 1.804 4.859 -0.646 1.00 0.00 H new ATOM 0 HB3 ARG A 936 0.785 5.172 0.745 1.00 0.00 H new ATOM 0 HG2 ARG A 936 -1.219 4.549 -0.669 1.00 0.00 H new ATOM 0 HG3 ARG A 936 -0.115 4.092 -1.950 1.00 0.00 H new ATOM 0 HD2 ARG A 936 0.677 2.230 -0.810 1.00 0.00 H new ATOM 0 HD3 ARG A 936 0.393 2.934 0.769 1.00 0.00 H new ATOM 0 HE ARG A 936 -1.673 1.895 0.801 1.00 0.00 H new ATOM 0 HH11 ARG A 936 -0.652 2.390 -2.542 1.00 0.00 H new ATOM 0 HH12 ARG A 936 -2.057 1.557 -3.216 1.00 0.00 H new ATOM 0 HH21 ARG A 936 -3.474 0.826 -0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 936 -3.649 0.675 -1.823 1.00 0.00 H new ATOM 766 N ARG A 937 2.576 7.542 0.164 1.00 0.00 N ATOM 767 CA ARG A 937 3.342 8.433 1.028 1.00 0.00 C ATOM 768 C ARG A 937 3.231 9.879 0.552 1.00 0.00 C ATOM 769 O ARG A 937 3.045 10.794 1.355 1.00 0.00 O ATOM 770 CB ARG A 937 4.811 8.008 1.061 1.00 0.00 C ATOM 771 CG ARG A 937 5.590 8.598 2.225 1.00 0.00 C ATOM 772 CD ARG A 937 6.706 7.669 2.677 1.00 0.00 C ATOM 773 NE ARG A 937 7.610 8.318 3.623 1.00 0.00 N ATOM 774 CZ ARG A 937 8.601 9.124 3.257 1.00 0.00 C ATOM 775 NH1 ARG A 937 8.813 9.377 1.973 1.00 0.00 N ATOM 776 NH2 ARG A 937 9.381 9.677 4.176 1.00 0.00 N ATOM 0 H ARG A 937 3.143 6.888 -0.376 1.00 0.00 H new ATOM 0 HA ARG A 937 2.929 8.366 2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 937 4.865 6.921 1.113 1.00 0.00 H new ATOM 0 HB3 ARG A 937 5.288 8.306 0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 937 6.012 9.559 1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 937 4.913 8.788 3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 937 6.274 6.782 3.139 1.00 0.00 H new ATOM 0 HD3 ARG A 937 7.271 7.332 1.808 1.00 0.00 H new ATOM 0 HE ARG A 937 7.473 8.143 4.619 1.00 0.00 H new ATOM 0 HH11 ARG A 937 8.215 8.953 1.264 1.00 0.00 H new ATOM 0 HH12 ARG A 937 9.574 9.996 1.694 1.00 0.00 H new ATOM 0 HH21 ARG A 937 9.220 9.484 5.165 1.00 0.00 H new ATOM 0 HH22 ARG A 937 10.142 10.296 3.894 1.00 0.00 H new ATOM 790 N ASP A 938 3.346 10.076 -0.756 1.00 0.00 N ATOM 791 CA ASP A 938 3.258 11.410 -1.339 1.00 0.00 C ATOM 792 C ASP A 938 2.097 12.193 -0.732 1.00 0.00 C ATOM 793 O ASP A 938 2.110 13.423 -0.709 1.00 0.00 O ATOM 794 CB ASP A 938 3.089 11.317 -2.856 1.00 0.00 C ATOM 795 CG ASP A 938 3.664 12.521 -3.577 1.00 0.00 C ATOM 796 OD1 ASP A 938 4.827 12.881 -3.298 1.00 0.00 O ATOM 797 OD2 ASP A 938 2.951 13.102 -4.421 1.00 0.00 O ATOM 0 H ASP A 938 3.500 9.329 -1.433 1.00 0.00 H new ATOM 0 HA ASP A 938 4.185 11.939 -1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 938 3.578 10.413 -3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 938 2.030 11.225 -3.096 1.00 0.00 H new ATOM 802 N ALA A 939 1.095 11.470 -0.243 1.00 0.00 N ATOM 803 CA ALA A 939 -0.073 12.096 0.364 1.00 0.00 C ATOM 804 C ALA A 939 0.293 12.789 1.672 1.00 0.00 C ATOM 805 O ALA A 939 0.150 14.006 1.803 1.00 0.00 O ATOM 806 CB ALA A 939 -1.164 11.062 0.600 1.00 0.00 C ATOM 0 H ALA A 939 1.069 10.450 -0.255 1.00 0.00 H new ATOM 0 HA ALA A 939 -0.448 12.853 -0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 939 -2.030 11.544 1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 939 -1.454 10.616 -0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 939 -0.791 10.285 1.267 1.00 0.00 H new ATOM 812 N LEU A 940 0.766 12.009 2.637 1.00 0.00 N ATOM 813 CA LEU A 940 1.153 12.548 3.936 1.00 0.00 C ATOM 814 C LEU A 940 1.925 13.854 3.776 1.00 0.00 C ATOM 815 O LEU A 940 1.596 14.863 4.400 1.00 0.00 O ATOM 816 CB LEU A 940 2.003 11.531 4.700 1.00 0.00 C ATOM 817 CG LEU A 940 1.474 10.096 4.721 1.00 0.00 C ATOM 818 CD1 LEU A 940 2.412 9.194 5.508 1.00 0.00 C ATOM 819 CD2 LEU A 940 0.071 10.053 5.308 1.00 0.00 C ATOM 0 H LEU A 940 0.891 11.001 2.545 1.00 0.00 H new ATOM 0 HA LEU A 940 0.244 12.751 4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 940 3.002 11.522 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 940 2.107 11.874 5.729 1.00 0.00 H new ATOM 0 HG LEU A 940 1.427 9.731 3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 940 2.020 8.177 5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 940 3.398 9.201 5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 940 2.491 9.557 6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 940 -0.289 9.024 5.315 1.00 0.00 H new ATOM 0 HD22 LEU A 940 0.091 10.437 6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 940 -0.596 10.667 4.702 1.00 0.00 H new ATOM 831 N LYS A 941 2.952 13.829 2.934 1.00 0.00 N ATOM 832 CA LYS A 941 3.770 15.010 2.687 1.00 0.00 C ATOM 833 C LYS A 941 2.916 16.274 2.696 1.00 0.00 C ATOM 834 O LYS A 941 3.314 17.299 3.248 1.00 0.00 O ATOM 835 CB LYS A 941 4.497 14.882 1.347 1.00 0.00 C ATOM 836 CG LYS A 941 4.721 13.445 0.911 1.00 0.00 C ATOM 837 CD LYS A 941 5.414 12.635 1.995 1.00 0.00 C ATOM 838 CE LYS A 941 6.907 12.923 2.036 1.00 0.00 C ATOM 839 NZ LYS A 941 7.650 12.149 1.003 1.00 0.00 N ATOM 0 H LYS A 941 3.238 13.002 2.410 1.00 0.00 H new ATOM 0 HA LYS A 941 4.507 15.084 3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 941 3.921 15.400 0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 941 5.461 15.386 1.417 1.00 0.00 H new ATOM 0 HG2 LYS A 941 3.764 12.984 0.667 1.00 0.00 H new ATOM 0 HG3 LYS A 941 5.323 13.429 0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 941 4.971 12.867 2.963 1.00 0.00 H new ATOM 0 HD3 LYS A 941 5.252 11.572 1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 941 7.076 13.989 1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 941 7.297 12.678 3.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 941 8.663 12.141 1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 941 7.293 11.173 0.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 941 7.513 12.592 0.072 1.00 0.00 H new ATOM 853 N MET A 942 1.740 16.193 2.081 1.00 0.00 N ATOM 854 CA MET A 942 0.829 17.330 2.021 1.00 0.00 C ATOM 855 C MET A 942 0.570 17.893 3.415 1.00 0.00 C ATOM 856 O MET A 942 0.621 19.105 3.625 1.00 0.00 O ATOM 857 CB MET A 942 -0.493 16.918 1.371 1.00 0.00 C ATOM 858 CG MET A 942 -1.536 16.439 2.367 1.00 0.00 C ATOM 859 SD MET A 942 -3.080 15.950 1.574 1.00 0.00 S ATOM 860 CE MET A 942 -3.204 14.242 2.098 1.00 0.00 C ATOM 0 H MET A 942 1.396 15.352 1.617 1.00 0.00 H new ATOM 0 HA MET A 942 1.296 18.107 1.416 1.00 0.00 H new ATOM 0 HB2 MET A 942 -0.895 17.765 0.816 1.00 0.00 H new ATOM 0 HB3 MET A 942 -0.301 16.125 0.648 1.00 0.00 H new ATOM 0 HG2 MET A 942 -1.136 15.594 2.928 1.00 0.00 H new ATOM 0 HG3 MET A 942 -1.737 17.233 3.087 1.00 0.00 H new ATOM 0 HE1 MET A 942 -3.432 13.613 1.237 1.00 0.00 H new ATOM 0 HE2 MET A 942 -2.258 13.927 2.538 1.00 0.00 H new ATOM 0 HE3 MET A 942 -3.998 14.145 2.838 1.00 0.00 H new ATOM 870 N LYS A 943 0.292 17.006 4.364 1.00 0.00 N ATOM 871 CA LYS A 943 0.026 17.414 5.738 1.00 0.00 C ATOM 872 C LYS A 943 1.168 17.000 6.660 1.00 0.00 C ATOM 873 O LYS A 943 2.199 16.504 6.203 1.00 0.00 O ATOM 874 CB LYS A 943 -1.288 16.801 6.229 1.00 0.00 C ATOM 875 CG LYS A 943 -1.194 15.312 6.516 1.00 0.00 C ATOM 876 CD LYS A 943 -1.746 14.486 5.367 1.00 0.00 C ATOM 877 CE LYS A 943 -2.259 13.137 5.846 1.00 0.00 C ATOM 878 NZ LYS A 943 -3.707 13.186 6.192 1.00 0.00 N ATOM 0 H LYS A 943 0.245 15.999 4.207 1.00 0.00 H new ATOM 0 HA LYS A 943 -0.057 18.501 5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 943 -1.604 17.318 7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 943 -2.061 16.970 5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 943 -0.154 15.040 6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 943 -1.744 15.081 7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 943 -2.554 15.032 4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 943 -0.968 14.336 4.619 1.00 0.00 H new ATOM 0 HE2 LYS A 943 -2.096 12.390 5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 943 -1.688 12.820 6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 943 -4.019 12.248 6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 943 -3.859 13.881 6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 943 -4.255 13.464 5.353 1.00 0.00 H new ATOM 892 N LEU A 944 0.978 17.204 7.959 1.00 0.00 N ATOM 893 CA LEU A 944 1.993 16.850 8.945 1.00 0.00 C ATOM 894 C LEU A 944 3.355 17.414 8.552 1.00 0.00 C ATOM 895 O LEU A 944 4.378 16.746 8.694 1.00 0.00 O ATOM 896 CB LEU A 944 2.080 15.330 9.093 1.00 0.00 C ATOM 897 CG LEU A 944 0.768 14.609 9.401 1.00 0.00 C ATOM 898 CD1 LEU A 944 1.000 13.112 9.534 1.00 0.00 C ATOM 899 CD2 LEU A 944 0.137 15.168 10.668 1.00 0.00 C ATOM 0 H LEU A 944 0.131 17.613 8.354 1.00 0.00 H new ATOM 0 HA LEU A 944 1.703 17.286 9.901 1.00 0.00 H new ATOM 0 HB2 LEU A 944 2.490 14.918 8.171 1.00 0.00 H new ATOM 0 HB3 LEU A 944 2.791 15.103 9.887 1.00 0.00 H new ATOM 0 HG LEU A 944 0.080 14.777 8.572 1.00 0.00 H new ATOM 0 HD11 LEU A 944 0.055 12.615 9.753 1.00 0.00 H new ATOM 0 HD12 LEU A 944 1.407 12.722 8.601 1.00 0.00 H new ATOM 0 HD13 LEU A 944 1.705 12.924 10.344 1.00 0.00 H new ATOM 0 HD21 LEU A 944 -0.796 14.643 10.872 1.00 0.00 H new ATOM 0 HD22 LEU A 944 0.821 15.031 11.506 1.00 0.00 H new ATOM 0 HD23 LEU A 944 -0.066 16.231 10.535 1.00 0.00 H new ATOM 911 N ASN A 945 3.359 18.648 8.060 1.00 0.00 N ATOM 912 CA ASN A 945 4.595 19.302 7.648 1.00 0.00 C ATOM 913 C ASN A 945 4.710 20.690 8.272 1.00 0.00 C ATOM 914 O ASN A 945 3.905 21.578 7.991 1.00 0.00 O ATOM 915 CB ASN A 945 4.657 19.410 6.123 1.00 0.00 C ATOM 916 CG ASN A 945 6.067 19.641 5.616 1.00 0.00 C ATOM 917 OD1 ASN A 945 7.037 19.165 6.206 1.00 0.00 O ATOM 918 ND2 ASN A 945 6.187 20.377 4.517 1.00 0.00 N ATOM 0 H ASN A 945 2.520 19.215 7.937 1.00 0.00 H new ATOM 0 HA ASN A 945 5.431 18.695 7.996 1.00 0.00 H new ATOM 0 HB2 ASN A 945 4.260 18.496 5.681 1.00 0.00 H new ATOM 0 HB3 ASN A 945 4.017 20.228 5.793 1.00 0.00 H new ATOM 0 HD21 ASN A 945 7.111 20.568 4.129 1.00 0.00 H new ATOM 0 HD22 ASN A 945 5.355 20.752 4.061 1.00 0.00 H new ATOM 925 N LYS A 946 5.718 20.870 9.119 1.00 0.00 N ATOM 926 CA LYS A 946 5.941 22.150 9.782 1.00 0.00 C ATOM 927 C LYS A 946 6.460 23.191 8.795 1.00 0.00 C ATOM 928 O LYS A 946 5.934 24.300 8.715 1.00 0.00 O ATOM 929 CB LYS A 946 6.935 21.984 10.934 1.00 0.00 C ATOM 930 CG LYS A 946 6.369 21.222 12.120 1.00 0.00 C ATOM 931 CD LYS A 946 5.512 22.116 13.000 1.00 0.00 C ATOM 932 CE LYS A 946 4.953 21.354 14.192 1.00 0.00 C ATOM 933 NZ LYS A 946 3.950 20.334 13.777 1.00 0.00 N ATOM 0 H LYS A 946 6.394 20.146 9.363 1.00 0.00 H new ATOM 0 HA LYS A 946 4.987 22.496 10.180 1.00 0.00 H new ATOM 0 HB2 LYS A 946 7.820 21.464 10.567 1.00 0.00 H new ATOM 0 HB3 LYS A 946 7.260 22.970 11.267 1.00 0.00 H new ATOM 0 HG2 LYS A 946 5.773 20.382 11.763 1.00 0.00 H new ATOM 0 HG3 LYS A 946 7.186 20.805 12.709 1.00 0.00 H new ATOM 0 HD2 LYS A 946 6.106 22.959 13.352 1.00 0.00 H new ATOM 0 HD3 LYS A 946 4.691 22.528 12.413 1.00 0.00 H new ATOM 0 HE2 LYS A 946 5.768 20.866 14.726 1.00 0.00 H new ATOM 0 HE3 LYS A 946 4.492 22.055 14.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 946 3.483 19.944 14.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 946 3.239 20.777 13.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 946 4.427 19.568 13.260 1.00 0.00 H new ATOM 947 N ALA A 947 7.494 22.824 8.044 1.00 0.00 N ATOM 948 CA ALA A 947 8.081 23.725 7.060 1.00 0.00 C ATOM 949 C ALA A 947 7.163 23.895 5.855 1.00 0.00 C ATOM 950 O ALA A 947 6.275 23.075 5.618 1.00 0.00 O ATOM 951 CB ALA A 947 9.443 23.210 6.620 1.00 0.00 C ATOM 0 H ALA A 947 7.942 21.909 8.099 1.00 0.00 H new ATOM 0 HA ALA A 947 8.208 24.701 7.528 1.00 0.00 H new ATOM 0 HB1 ALA A 947 9.870 23.892 5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 947 10.105 23.147 7.484 1.00 0.00 H new ATOM 0 HB3 ALA A 947 9.332 22.221 6.175 1.00 0.00 H new ATOM 957 N SER A 948 7.381 24.965 5.096 1.00 0.00 N ATOM 958 CA SER A 948 6.570 25.244 3.917 1.00 0.00 C ATOM 959 C SER A 948 7.375 25.029 2.640 1.00 0.00 C ATOM 960 O SER A 948 8.527 25.452 2.540 1.00 0.00 O ATOM 961 CB SER A 948 6.041 26.679 3.965 1.00 0.00 C ATOM 962 OG SER A 948 5.270 26.900 5.133 1.00 0.00 O ATOM 0 H SER A 948 8.112 25.652 5.277 1.00 0.00 H new ATOM 0 HA SER A 948 5.727 24.553 3.914 1.00 0.00 H new ATOM 0 HB2 SER A 948 6.876 27.379 3.939 1.00 0.00 H new ATOM 0 HB3 SER A 948 5.433 26.875 3.082 1.00 0.00 H new ATOM 0 HG SER A 948 4.945 27.825 5.140 1.00 0.00 H new ATOM 968 N GLY A 949 6.760 24.368 1.664 1.00 0.00 N ATOM 969 CA GLY A 949 7.434 24.108 0.405 1.00 0.00 C ATOM 970 C GLY A 949 6.470 23.728 -0.701 1.00 0.00 C ATOM 971 O GLY A 949 5.403 23.165 -0.457 1.00 0.00 O ATOM 0 H GLY A 949 5.807 24.008 1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 949 7.994 24.994 0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 949 8.158 23.305 0.543 1.00 0.00 H new ATOM 975 N PRO A 950 6.844 24.041 -1.951 1.00 0.00 N ATOM 976 CA PRO A 950 6.018 23.739 -3.123 1.00 0.00 C ATOM 977 C PRO A 950 5.948 22.244 -3.414 1.00 0.00 C ATOM 978 O PRO A 950 6.953 21.538 -3.332 1.00 0.00 O ATOM 979 CB PRO A 950 6.734 24.471 -4.261 1.00 0.00 C ATOM 980 CG PRO A 950 8.151 24.573 -3.812 1.00 0.00 C ATOM 981 CD PRO A 950 8.103 24.713 -2.315 1.00 0.00 C ATOM 0 HA PRO A 950 4.983 24.050 -2.982 1.00 0.00 H new ATOM 0 HB2 PRO A 950 6.654 23.920 -5.198 1.00 0.00 H new ATOM 0 HB3 PRO A 950 6.301 25.456 -4.432 1.00 0.00 H new ATOM 0 HG2 PRO A 950 8.717 23.688 -4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 950 8.644 25.431 -4.268 1.00 0.00 H new ATOM 0 HD2 PRO A 950 8.963 24.241 -1.839 1.00 0.00 H new ATOM 0 HD3 PRO A 950 8.104 25.759 -2.009 1.00 0.00 H new ATOM 989 N SER A 951 4.754 21.767 -3.753 1.00 0.00 N ATOM 990 CA SER A 951 4.553 20.354 -4.052 1.00 0.00 C ATOM 991 C SER A 951 3.640 20.180 -5.262 1.00 0.00 C ATOM 992 O SER A 951 3.074 21.147 -5.771 1.00 0.00 O ATOM 993 CB SER A 951 3.955 19.634 -2.841 1.00 0.00 C ATOM 994 OG SER A 951 2.810 20.314 -2.357 1.00 0.00 O ATOM 0 H SER A 951 3.912 22.338 -3.827 1.00 0.00 H new ATOM 0 HA SER A 951 5.524 19.916 -4.284 1.00 0.00 H new ATOM 0 HB2 SER A 951 3.687 18.614 -3.116 1.00 0.00 H new ATOM 0 HB3 SER A 951 4.702 19.564 -2.050 1.00 0.00 H new ATOM 0 HG SER A 951 2.446 19.833 -1.585 1.00 0.00 H new ATOM 1000 N SER A 952 3.502 18.938 -5.718 1.00 0.00 N ATOM 1001 CA SER A 952 2.662 18.636 -6.871 1.00 0.00 C ATOM 1002 C SER A 952 2.035 17.252 -6.738 1.00 0.00 C ATOM 1003 O SER A 952 2.514 16.412 -5.977 1.00 0.00 O ATOM 1004 CB SER A 952 3.481 18.716 -8.160 1.00 0.00 C ATOM 1005 OG SER A 952 4.045 20.006 -8.328 1.00 0.00 O ATOM 0 H SER A 952 3.961 18.126 -5.306 1.00 0.00 H new ATOM 0 HA SER A 952 1.862 19.376 -6.911 1.00 0.00 H new ATOM 0 HB2 SER A 952 4.275 17.969 -8.137 1.00 0.00 H new ATOM 0 HB3 SER A 952 2.845 18.480 -9.013 1.00 0.00 H new ATOM 0 HG SER A 952 4.565 20.030 -9.158 1.00 0.00 H new ATOM 1011 N GLY A 953 0.960 17.022 -7.485 1.00 0.00 N ATOM 1012 CA GLY A 953 0.284 15.738 -7.437 1.00 0.00 C ATOM 1013 C GLY A 953 -1.080 15.826 -6.781 1.00 0.00 C ATOM 1014 O GLY A 953 -1.153 15.881 -5.555 1.00 0.00 O ATOM 0 H GLY A 953 0.545 17.701 -8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 953 0.172 15.351 -8.450 1.00 0.00 H new ATOM 0 HA3 GLY A 953 0.902 15.026 -6.890 1.00 0.00 H new TER 1018 GLY A 953 HETATM 1019 ZN ZN A1085 11.369 -7.274 2.640 1.00 0.00 ZN