USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=21 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= 0.366 USER MOD Set 1.2: A 922 LYS NZ :NH3+ -156:sc= 0.392 (180deg=0) USER MOD Single : A 886 SER OG : rot 180:sc= 0 USER MOD Single : A 887 SER OG : rot 49:sc= 0.843 USER MOD Single : A 889 SER OG : rot 180:sc= 0 USER MOD Single : A 890 SER OG : rot 180:sc= 0 USER MOD Single : A 892 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.3!) USER MOD Single : A 893 TYR OH : rot 180:sc= 0 USER MOD Single : A 894 CYS SG : rot 180:sc= -0.314 USER MOD Single : A 896 GLN : amide:sc= -0.145 K(o=-0.14,f=-1.6!) USER MOD Single : A 897 HIS : no HD1:sc= -1.8 X(o=-1.8,f=-1.7) USER MOD Single : A 901 THR OG1 : rot -99:sc= 0.114 USER MOD Single : A 905 SER OG : rot 180:sc= 0 USER MOD Single : A 910 TYR OH : rot 180:sc= 0 USER MOD Single : A 911 MET CE :methyl 171:sc= -0.677 (180deg=-0.775) USER MOD Single : A 912 ASN :FLIP amide:sc= -0.739 F(o=-1.3!,f=-0.74) USER MOD Single : A 914 THR OG1 : rot 180:sc= 0 USER MOD Single : A 919 ASN :FLIP amide:sc= 0.0722 F(o=-1.4,f=0.072) USER MOD Single : A 920 SER OG : rot 180:sc= 0 USER MOD Single : A 927 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.19) USER MOD Single : A 931 HIS : no HD1:sc= -2.93 X(o=-2.9,f=-2.7!) USER MOD Single : A 941 LYS NZ :NH3+ -121:sc= -0.353 (180deg=-1.85!) USER MOD Single : A 942 MET CE :methyl -109:sc= -2.56! (180deg=-4.77!) USER MOD Single : A 943 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 945 ASN : amide:sc= -0.0134 X(o=-0.013,f=-0.41) 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= -0.0134 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 885 -27.857 -9.428 -7.436 1.00 0.00 N ATOM 2 CA GLY A 885 -27.437 -8.045 -7.575 1.00 0.00 C ATOM 3 C GLY A 885 -25.937 -7.909 -7.739 1.00 0.00 C ATOM 4 O GLY A 885 -25.233 -7.544 -6.798 1.00 0.00 O ATOM 0 HA2 GLY A 885 -27.935 -7.602 -8.437 1.00 0.00 H new ATOM 0 HA3 GLY A 885 -27.756 -7.482 -6.698 1.00 0.00 H new ATOM 8 N SER A 886 -25.445 -8.203 -8.939 1.00 0.00 N ATOM 9 CA SER A 886 -24.018 -8.117 -9.223 1.00 0.00 C ATOM 10 C SER A 886 -23.531 -6.674 -9.127 1.00 0.00 C ATOM 11 O SER A 886 -24.322 -5.734 -9.213 1.00 0.00 O ATOM 12 CB SER A 886 -23.718 -8.676 -10.614 1.00 0.00 C ATOM 13 OG SER A 886 -23.510 -10.077 -10.567 1.00 0.00 O ATOM 0 H SER A 886 -26.015 -8.503 -9.730 1.00 0.00 H new ATOM 0 HA SER A 886 -23.489 -8.712 -8.479 1.00 0.00 H new ATOM 0 HB2 SER A 886 -24.546 -8.451 -11.286 1.00 0.00 H new ATOM 0 HB3 SER A 886 -22.833 -8.187 -11.023 1.00 0.00 H new ATOM 0 HG SER A 886 -23.322 -10.410 -11.469 1.00 0.00 H new ATOM 19 N SER A 887 -22.225 -6.507 -8.948 1.00 0.00 N ATOM 20 CA SER A 887 -21.632 -5.179 -8.837 1.00 0.00 C ATOM 21 C SER A 887 -20.432 -5.040 -9.768 1.00 0.00 C ATOM 22 O SER A 887 -19.303 -5.358 -9.397 1.00 0.00 O ATOM 23 CB SER A 887 -21.205 -4.908 -7.393 1.00 0.00 C ATOM 24 OG SER A 887 -20.254 -5.862 -6.954 1.00 0.00 O ATOM 0 H SER A 887 -21.557 -7.274 -8.877 1.00 0.00 H new ATOM 0 HA SER A 887 -22.384 -4.447 -9.130 1.00 0.00 H new ATOM 0 HB2 SER A 887 -20.781 -3.907 -7.318 1.00 0.00 H new ATOM 0 HB3 SER A 887 -22.078 -4.934 -6.741 1.00 0.00 H new ATOM 0 HG SER A 887 -19.541 -5.944 -7.621 1.00 0.00 H new ATOM 30 N GLY A 888 -20.686 -4.561 -10.983 1.00 0.00 N ATOM 31 CA GLY A 888 -19.618 -4.388 -11.950 1.00 0.00 C ATOM 32 C GLY A 888 -18.608 -3.344 -11.517 1.00 0.00 C ATOM 33 O GLY A 888 -17.479 -3.675 -11.154 1.00 0.00 O ATOM 0 H GLY A 888 -21.612 -4.290 -11.314 1.00 0.00 H new ATOM 0 HA2 GLY A 888 -19.110 -5.341 -12.100 1.00 0.00 H new ATOM 0 HA3 GLY A 888 -20.045 -4.100 -12.911 1.00 0.00 H new ATOM 37 N SER A 889 -19.013 -2.078 -11.558 1.00 0.00 N ATOM 38 CA SER A 889 -18.133 -0.981 -11.172 1.00 0.00 C ATOM 39 C SER A 889 -18.088 -0.829 -9.655 1.00 0.00 C ATOM 40 O SER A 889 -18.959 -0.199 -9.057 1.00 0.00 O ATOM 41 CB SER A 889 -18.602 0.326 -11.813 1.00 0.00 C ATOM 42 OG SER A 889 -17.713 1.388 -11.515 1.00 0.00 O ATOM 0 H SER A 889 -19.945 -1.787 -11.855 1.00 0.00 H new ATOM 0 HA SER A 889 -17.128 -1.211 -11.527 1.00 0.00 H new ATOM 0 HB2 SER A 889 -18.673 0.200 -12.893 1.00 0.00 H new ATOM 0 HB3 SER A 889 -19.601 0.573 -11.454 1.00 0.00 H new ATOM 0 HG SER A 889 -18.034 2.212 -11.937 1.00 0.00 H new ATOM 48 N SER A 890 -17.064 -1.412 -9.038 1.00 0.00 N ATOM 49 CA SER A 890 -16.905 -1.345 -7.590 1.00 0.00 C ATOM 50 C SER A 890 -16.370 0.019 -7.165 1.00 0.00 C ATOM 51 O SER A 890 -16.642 0.488 -6.061 1.00 0.00 O ATOM 52 CB SER A 890 -15.962 -2.449 -7.108 1.00 0.00 C ATOM 53 OG SER A 890 -14.665 -2.287 -7.656 1.00 0.00 O ATOM 0 H SER A 890 -16.333 -1.936 -9.519 1.00 0.00 H new ATOM 0 HA SER A 890 -17.885 -1.489 -7.134 1.00 0.00 H new ATOM 0 HB2 SER A 890 -15.905 -2.433 -6.020 1.00 0.00 H new ATOM 0 HB3 SER A 890 -16.361 -3.423 -7.392 1.00 0.00 H new ATOM 0 HG SER A 890 -14.081 -3.004 -7.331 1.00 0.00 H new ATOM 59 N GLY A 891 -15.605 0.650 -8.051 1.00 0.00 N ATOM 60 CA GLY A 891 -15.042 1.954 -7.750 1.00 0.00 C ATOM 61 C GLY A 891 -13.659 2.138 -8.341 1.00 0.00 C ATOM 62 O GLY A 891 -12.943 1.166 -8.575 1.00 0.00 O ATOM 0 H GLY A 891 -15.365 0.282 -8.971 1.00 0.00 H new ATOM 0 HA2 GLY A 891 -15.704 2.730 -8.134 1.00 0.00 H new ATOM 0 HA3 GLY A 891 -14.992 2.084 -6.669 1.00 0.00 H new ATOM 66 N GLN A 892 -13.283 3.390 -8.583 1.00 0.00 N ATOM 67 CA GLN A 892 -11.977 3.698 -9.153 1.00 0.00 C ATOM 68 C GLN A 892 -10.857 3.134 -8.284 1.00 0.00 C ATOM 69 O GLN A 892 -9.890 2.566 -8.792 1.00 0.00 O ATOM 70 CB GLN A 892 -11.807 5.211 -9.305 1.00 0.00 C ATOM 71 CG GLN A 892 -12.565 5.792 -10.488 1.00 0.00 C ATOM 72 CD GLN A 892 -11.929 7.060 -11.022 1.00 0.00 C ATOM 73 OE1 GLN A 892 -10.706 7.206 -11.014 1.00 0.00 O ATOM 74 NE2 GLN A 892 -12.758 7.986 -11.490 1.00 0.00 N ATOM 0 H GLN A 892 -13.864 4.207 -8.393 1.00 0.00 H new ATOM 0 HA GLN A 892 -11.919 3.232 -10.137 1.00 0.00 H new ATOM 0 HB2 GLN A 892 -12.145 5.700 -8.392 1.00 0.00 H new ATOM 0 HB3 GLN A 892 -10.747 5.440 -9.415 1.00 0.00 H new ATOM 0 HG2 GLN A 892 -12.611 5.050 -11.285 1.00 0.00 H new ATOM 0 HG3 GLN A 892 -13.592 6.003 -10.189 1.00 0.00 H new ATOM 0 HE21 GLN A 892 -13.765 7.823 -11.477 1.00 0.00 H new ATOM 0 HE22 GLN A 892 -12.388 8.861 -11.862 1.00 0.00 H new ATOM 83 N TYR A 893 -10.994 3.295 -6.973 1.00 0.00 N ATOM 84 CA TYR A 893 -9.993 2.804 -6.033 1.00 0.00 C ATOM 85 C TYR A 893 -9.658 1.341 -6.310 1.00 0.00 C ATOM 86 O TYR A 893 -10.359 0.435 -5.859 1.00 0.00 O ATOM 87 CB TYR A 893 -10.491 2.961 -4.596 1.00 0.00 C ATOM 88 CG TYR A 893 -9.380 3.129 -3.585 1.00 0.00 C ATOM 89 CD1 TYR A 893 -8.458 2.114 -3.362 1.00 0.00 C ATOM 90 CD2 TYR A 893 -9.251 4.303 -2.853 1.00 0.00 C ATOM 91 CE1 TYR A 893 -7.441 2.262 -2.438 1.00 0.00 C ATOM 92 CE2 TYR A 893 -8.236 4.461 -1.929 1.00 0.00 C ATOM 93 CZ TYR A 893 -7.335 3.438 -1.724 1.00 0.00 C ATOM 94 OH TYR A 893 -6.322 3.590 -0.805 1.00 0.00 O ATOM 0 H TYR A 893 -11.789 3.762 -6.537 1.00 0.00 H new ATOM 0 HA TYR A 893 -9.088 3.397 -6.163 1.00 0.00 H new ATOM 0 HB2 TYR A 893 -11.153 3.825 -4.542 1.00 0.00 H new ATOM 0 HB3 TYR A 893 -11.085 2.087 -4.329 1.00 0.00 H new ATOM 0 HD1 TYR A 893 -8.537 1.193 -3.921 1.00 0.00 H new ATOM 0 HD2 TYR A 893 -9.956 5.106 -3.009 1.00 0.00 H new ATOM 0 HE1 TYR A 893 -6.734 1.462 -2.276 1.00 0.00 H new ATOM 0 HE2 TYR A 893 -8.149 5.381 -1.370 1.00 0.00 H new ATOM 0 HH TYR A 893 -6.387 4.475 -0.389 1.00 0.00 H new ATOM 104 N CYS A 894 -8.579 1.119 -7.053 1.00 0.00 N ATOM 105 CA CYS A 894 -8.148 -0.232 -7.391 1.00 0.00 C ATOM 106 C CYS A 894 -6.847 -0.583 -6.675 1.00 0.00 C ATOM 107 O CYS A 894 -6.712 -1.667 -6.107 1.00 0.00 O ATOM 108 CB CYS A 894 -7.962 -0.367 -8.904 1.00 0.00 C ATOM 109 SG CYS A 894 -6.862 0.889 -9.633 1.00 0.00 S ATOM 0 H CYS A 894 -7.987 1.858 -7.433 1.00 0.00 H new ATOM 0 HA CYS A 894 -8.922 -0.926 -7.063 1.00 0.00 H new ATOM 0 HB2 CYS A 894 -7.561 -1.357 -9.123 1.00 0.00 H new ATOM 0 HB3 CYS A 894 -8.937 -0.304 -9.386 1.00 0.00 H new ATOM 0 HG CYS A 894 -6.766 0.691 -10.914 1.00 0.00 H new ATOM 114 N TRP A 895 -5.894 0.341 -6.705 1.00 0.00 N ATOM 115 CA TRP A 895 -4.604 0.130 -6.058 1.00 0.00 C ATOM 116 C TRP A 895 -4.786 -0.253 -4.593 1.00 0.00 C ATOM 117 O TRP A 895 -5.330 0.519 -3.804 1.00 0.00 O ATOM 118 CB TRP A 895 -3.744 1.390 -6.165 1.00 0.00 C ATOM 119 CG TRP A 895 -4.271 2.540 -5.361 1.00 0.00 C ATOM 120 CD1 TRP A 895 -5.581 2.828 -5.104 1.00 0.00 C ATOM 121 CD2 TRP A 895 -3.500 3.556 -4.711 1.00 0.00 C ATOM 122 NE1 TRP A 895 -5.671 3.962 -4.333 1.00 0.00 N ATOM 123 CE2 TRP A 895 -4.408 4.427 -4.078 1.00 0.00 C ATOM 124 CE3 TRP A 895 -2.131 3.814 -4.600 1.00 0.00 C ATOM 125 CZ2 TRP A 895 -3.989 5.536 -3.347 1.00 0.00 C ATOM 126 CZ3 TRP A 895 -1.717 4.915 -3.875 1.00 0.00 C ATOM 127 CH2 TRP A 895 -2.643 5.764 -3.256 1.00 0.00 C ATOM 0 H TRP A 895 -5.990 1.244 -7.170 1.00 0.00 H new ATOM 0 HA TRP A 895 -4.099 -0.690 -6.569 1.00 0.00 H new ATOM 0 HB2 TRP A 895 -2.731 1.159 -5.834 1.00 0.00 H new ATOM 0 HB3 TRP A 895 -3.678 1.688 -7.211 1.00 0.00 H new ATOM 0 HD1 TRP A 895 -6.423 2.249 -5.455 1.00 0.00 H new ATOM 0 HE1 TRP A 895 -6.537 4.388 -4.004 1.00 0.00 H new ATOM 0 HE3 TRP A 895 -1.409 3.164 -5.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 895 -4.701 6.192 -2.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 895 -0.661 5.124 -3.784 1.00 0.00 H new ATOM 0 HH2 TRP A 895 -2.287 6.616 -2.695 1.00 0.00 H new ATOM 138 N GLN A 896 -4.327 -1.448 -4.237 1.00 0.00 N ATOM 139 CA GLN A 896 -4.440 -1.932 -2.866 1.00 0.00 C ATOM 140 C GLN A 896 -3.179 -2.682 -2.448 1.00 0.00 C ATOM 141 O GLN A 896 -2.952 -3.818 -2.866 1.00 0.00 O ATOM 142 CB GLN A 896 -5.660 -2.843 -2.724 1.00 0.00 C ATOM 143 CG GLN A 896 -6.061 -3.103 -1.281 1.00 0.00 C ATOM 144 CD GLN A 896 -6.796 -1.932 -0.659 1.00 0.00 C ATOM 145 OE1 GLN A 896 -6.212 -0.876 -0.416 1.00 0.00 O ATOM 146 NE2 GLN A 896 -8.086 -2.112 -0.400 1.00 0.00 N ATOM 0 H GLN A 896 -3.874 -2.099 -4.878 1.00 0.00 H new ATOM 0 HA GLN A 896 -4.561 -1.069 -2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 896 -6.502 -2.394 -3.251 1.00 0.00 H new ATOM 0 HB3 GLN A 896 -5.451 -3.795 -3.211 1.00 0.00 H new ATOM 0 HG2 GLN A 896 -6.695 -3.989 -1.238 1.00 0.00 H new ATOM 0 HG3 GLN A 896 -5.169 -3.320 -0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 896 -8.530 -3.004 -0.618 1.00 0.00 H new ATOM 0 HE22 GLN A 896 -8.633 -1.358 0.017 1.00 0.00 H new ATOM 155 N HIS A 897 -2.362 -2.039 -1.619 1.00 0.00 N ATOM 156 CA HIS A 897 -1.124 -2.646 -1.144 1.00 0.00 C ATOM 157 C HIS A 897 -0.642 -1.966 0.134 1.00 0.00 C ATOM 158 O HIS A 897 -1.016 -0.829 0.423 1.00 0.00 O ATOM 159 CB HIS A 897 -0.042 -2.559 -2.221 1.00 0.00 C ATOM 160 CG HIS A 897 -0.281 -3.472 -3.384 1.00 0.00 C ATOM 161 ND1 HIS A 897 -0.604 -3.017 -4.644 1.00 0.00 N ATOM 162 CD2 HIS A 897 -0.240 -4.823 -3.473 1.00 0.00 C ATOM 163 CE1 HIS A 897 -0.753 -4.047 -5.458 1.00 0.00 C ATOM 164 NE2 HIS A 897 -0.537 -5.155 -4.771 1.00 0.00 N ATOM 0 H HIS A 897 -2.535 -1.099 -1.263 1.00 0.00 H new ATOM 0 HA HIS A 897 -1.323 -3.695 -0.924 1.00 0.00 H new ATOM 0 HB2 HIS A 897 0.018 -1.532 -2.582 1.00 0.00 H new ATOM 0 HB3 HIS A 897 0.923 -2.797 -1.775 1.00 0.00 H new ATOM 0 HD2 HIS A 897 -0.015 -5.511 -2.671 1.00 0.00 H new ATOM 0 HE1 HIS A 897 -1.008 -3.993 -6.506 1.00 0.00 H new ATOM 0 HE2 HIS A 897 -0.583 -6.103 -5.145 1.00 0.00 H new ATOM 172 N ARG A 898 0.190 -2.669 0.896 1.00 0.00 N ATOM 173 CA ARG A 898 0.721 -2.134 2.143 1.00 0.00 C ATOM 174 C ARG A 898 1.165 -0.684 1.968 1.00 0.00 C ATOM 175 O ARG A 898 1.283 -0.192 0.845 1.00 0.00 O ATOM 176 CB ARG A 898 1.898 -2.983 2.627 1.00 0.00 C ATOM 177 CG ARG A 898 1.485 -4.153 3.505 1.00 0.00 C ATOM 178 CD ARG A 898 1.174 -5.389 2.676 1.00 0.00 C ATOM 179 NE ARG A 898 0.166 -6.234 3.311 1.00 0.00 N ATOM 180 CZ ARG A 898 -1.115 -5.898 3.416 1.00 0.00 C ATOM 181 NH1 ARG A 898 -1.541 -4.740 2.930 1.00 0.00 N ATOM 182 NH2 ARG A 898 -1.972 -6.720 4.007 1.00 0.00 N ATOM 0 H ARG A 898 0.511 -3.611 0.671 1.00 0.00 H new ATOM 0 HA ARG A 898 -0.073 -2.166 2.889 1.00 0.00 H new ATOM 0 HB2 ARG A 898 2.441 -3.363 1.762 1.00 0.00 H new ATOM 0 HB3 ARG A 898 2.588 -2.349 3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 898 2.284 -4.379 4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 898 0.609 -3.877 4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 898 0.823 -5.085 1.690 1.00 0.00 H new ATOM 0 HD3 ARG A 898 2.088 -5.964 2.526 1.00 0.00 H new ATOM 0 HE ARG A 898 0.462 -7.131 3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 898 -0.885 -4.106 2.475 1.00 0.00 H new ATOM 0 HH12 ARG A 898 -2.525 -4.484 3.012 1.00 0.00 H new ATOM 0 HH21 ARG A 898 -1.648 -7.612 4.382 1.00 0.00 H new ATOM 0 HH22 ARG A 898 -2.955 -6.461 4.087 1.00 0.00 H new ATOM 196 N PHE A 899 1.408 -0.006 3.084 1.00 0.00 N ATOM 197 CA PHE A 899 1.836 1.387 3.054 1.00 0.00 C ATOM 198 C PHE A 899 3.354 1.492 3.164 1.00 0.00 C ATOM 199 O PHE A 899 3.998 0.771 3.927 1.00 0.00 O ATOM 200 CB PHE A 899 1.176 2.171 4.191 1.00 0.00 C ATOM 201 CG PHE A 899 1.378 3.656 4.092 1.00 0.00 C ATOM 202 CD1 PHE A 899 2.636 4.210 4.262 1.00 0.00 C ATOM 203 CD2 PHE A 899 0.309 4.497 3.830 1.00 0.00 C ATOM 204 CE1 PHE A 899 2.826 5.576 4.172 1.00 0.00 C ATOM 205 CE2 PHE A 899 0.493 5.864 3.737 1.00 0.00 C ATOM 206 CZ PHE A 899 1.752 6.404 3.910 1.00 0.00 C ATOM 0 H PHE A 899 1.316 -0.399 4.021 1.00 0.00 H new ATOM 0 HA PHE A 899 1.527 1.815 2.100 1.00 0.00 H new ATOM 0 HB2 PHE A 899 0.107 1.957 4.196 1.00 0.00 H new ATOM 0 HB3 PHE A 899 1.576 1.821 5.143 1.00 0.00 H new ATOM 0 HD1 PHE A 899 3.479 3.567 4.467 1.00 0.00 H new ATOM 0 HD2 PHE A 899 -0.679 4.080 3.697 1.00 0.00 H new ATOM 0 HE1 PHE A 899 3.812 5.995 4.306 1.00 0.00 H new ATOM 0 HE2 PHE A 899 -0.348 6.509 3.529 1.00 0.00 H new ATOM 0 HZ PHE A 899 1.897 7.472 3.841 1.00 0.00 H new ATOM 216 N PRO A 900 3.942 2.411 2.383 1.00 0.00 N ATOM 217 CA PRO A 900 5.391 2.632 2.373 1.00 0.00 C ATOM 218 C PRO A 900 5.888 3.271 3.666 1.00 0.00 C ATOM 219 O PRO A 900 5.885 4.494 3.809 1.00 0.00 O ATOM 220 CB PRO A 900 5.596 3.585 1.193 1.00 0.00 C ATOM 221 CG PRO A 900 4.294 4.295 1.048 1.00 0.00 C ATOM 222 CD PRO A 900 3.236 3.305 1.450 1.00 0.00 C ATOM 0 HA PRO A 900 5.946 1.698 2.285 1.00 0.00 H new ATOM 0 HB2 PRO A 900 6.409 4.285 1.386 1.00 0.00 H new ATOM 0 HB3 PRO A 900 5.853 3.040 0.284 1.00 0.00 H new ATOM 0 HG2 PRO A 900 4.260 5.181 1.682 1.00 0.00 H new ATOM 0 HG3 PRO A 900 4.145 4.631 0.022 1.00 0.00 H new ATOM 0 HD2 PRO A 900 2.388 3.795 1.928 1.00 0.00 H new ATOM 0 HD3 PRO A 900 2.847 2.761 0.589 1.00 0.00 H new ATOM 230 N THR A 901 6.316 2.435 4.607 1.00 0.00 N ATOM 231 CA THR A 901 6.816 2.917 5.888 1.00 0.00 C ATOM 232 C THR A 901 7.510 4.266 5.735 1.00 0.00 C ATOM 233 O THR A 901 7.411 5.128 6.607 1.00 0.00 O ATOM 234 CB THR A 901 7.801 1.915 6.520 1.00 0.00 C ATOM 235 OG1 THR A 901 8.984 1.820 5.720 1.00 0.00 O ATOM 236 CG2 THR A 901 7.162 0.541 6.656 1.00 0.00 C ATOM 0 H THR A 901 6.326 1.420 4.505 1.00 0.00 H new ATOM 0 HA THR A 901 5.952 3.028 6.543 1.00 0.00 H new ATOM 0 HB THR A 901 8.064 2.276 7.514 1.00 0.00 H new ATOM 0 HG1 THR A 901 8.930 1.025 5.149 1.00 0.00 H new ATOM 0 HG21 THR A 901 7.876 -0.150 7.105 1.00 0.00 H new ATOM 0 HG22 THR A 901 6.278 0.612 7.290 1.00 0.00 H new ATOM 0 HG23 THR A 901 6.873 0.175 5.671 1.00 0.00 H new ATOM 244 N GLY A 902 8.212 4.442 4.619 1.00 0.00 N ATOM 245 CA GLY A 902 8.911 5.689 4.372 1.00 0.00 C ATOM 246 C GLY A 902 10.080 5.520 3.422 1.00 0.00 C ATOM 247 O GLY A 902 10.606 6.500 2.894 1.00 0.00 O ATOM 0 H GLY A 902 8.309 3.743 3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 902 8.213 6.417 3.959 1.00 0.00 H new ATOM 0 HA3 GLY A 902 9.271 6.094 5.318 1.00 0.00 H new ATOM 251 N TYR A 903 10.488 4.275 3.205 1.00 0.00 N ATOM 252 CA TYR A 903 11.605 3.982 2.315 1.00 0.00 C ATOM 253 C TYR A 903 11.134 3.867 0.869 1.00 0.00 C ATOM 254 O TYR A 903 10.287 3.034 0.544 1.00 0.00 O ATOM 255 CB TYR A 903 12.298 2.686 2.742 1.00 0.00 C ATOM 256 CG TYR A 903 12.992 2.784 4.082 1.00 0.00 C ATOM 257 CD1 TYR A 903 12.263 2.849 5.262 1.00 0.00 C ATOM 258 CD2 TYR A 903 14.379 2.811 4.166 1.00 0.00 C ATOM 259 CE1 TYR A 903 12.893 2.939 6.488 1.00 0.00 C ATOM 260 CE2 TYR A 903 15.018 2.899 5.388 1.00 0.00 C ATOM 261 CZ TYR A 903 14.271 2.964 6.545 1.00 0.00 C ATOM 262 OH TYR A 903 14.903 3.052 7.764 1.00 0.00 O ATOM 0 H TYR A 903 10.062 3.453 3.633 1.00 0.00 H new ATOM 0 HA TYR A 903 12.316 4.806 2.382 1.00 0.00 H new ATOM 0 HB2 TYR A 903 11.560 1.885 2.782 1.00 0.00 H new ATOM 0 HB3 TYR A 903 13.029 2.408 1.983 1.00 0.00 H new ATOM 0 HD1 TYR A 903 11.184 2.829 5.220 1.00 0.00 H new ATOM 0 HD2 TYR A 903 14.967 2.762 3.261 1.00 0.00 H new ATOM 0 HE1 TYR A 903 12.310 2.989 7.396 1.00 0.00 H new ATOM 0 HE2 TYR A 903 16.097 2.917 5.437 1.00 0.00 H new ATOM 0 HH TYR A 903 15.874 3.057 7.630 1.00 0.00 H new ATOM 272 N PHE A 904 11.689 4.709 0.004 1.00 0.00 N ATOM 273 CA PHE A 904 11.327 4.704 -1.409 1.00 0.00 C ATOM 274 C PHE A 904 12.264 3.803 -2.207 1.00 0.00 C ATOM 275 O PHE A 904 12.980 4.266 -3.095 1.00 0.00 O ATOM 276 CB PHE A 904 11.364 6.126 -1.972 1.00 0.00 C ATOM 277 CG PHE A 904 11.277 6.179 -3.471 1.00 0.00 C ATOM 278 CD1 PHE A 904 10.333 5.427 -4.150 1.00 0.00 C ATOM 279 CD2 PHE A 904 12.140 6.982 -4.200 1.00 0.00 C ATOM 280 CE1 PHE A 904 10.250 5.474 -5.529 1.00 0.00 C ATOM 281 CE2 PHE A 904 12.061 7.034 -5.579 1.00 0.00 C ATOM 282 CZ PHE A 904 11.115 6.278 -6.244 1.00 0.00 C ATOM 0 H PHE A 904 12.392 5.404 0.257 1.00 0.00 H new ATOM 0 HA PHE A 904 10.313 4.313 -1.498 1.00 0.00 H new ATOM 0 HB2 PHE A 904 10.539 6.698 -1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 904 12.286 6.611 -1.652 1.00 0.00 H new ATOM 0 HD1 PHE A 904 9.654 4.796 -3.596 1.00 0.00 H new ATOM 0 HD2 PHE A 904 12.882 7.574 -3.685 1.00 0.00 H new ATOM 0 HE1 PHE A 904 9.509 4.882 -6.046 1.00 0.00 H new ATOM 0 HE2 PHE A 904 12.738 7.665 -6.136 1.00 0.00 H new ATOM 0 HZ PHE A 904 11.052 6.316 -7.322 1.00 0.00 H new ATOM 292 N SER A 905 12.255 2.514 -1.884 1.00 0.00 N ATOM 293 CA SER A 905 13.107 1.548 -2.568 1.00 0.00 C ATOM 294 C SER A 905 12.505 0.147 -2.498 1.00 0.00 C ATOM 295 O SER A 905 11.474 -0.066 -1.859 1.00 0.00 O ATOM 296 CB SER A 905 14.507 1.545 -1.951 1.00 0.00 C ATOM 297 OG SER A 905 15.489 1.214 -2.917 1.00 0.00 O ATOM 0 H SER A 905 11.667 2.114 -1.153 1.00 0.00 H new ATOM 0 HA SER A 905 13.179 1.842 -3.615 1.00 0.00 H new ATOM 0 HB2 SER A 905 14.724 2.526 -1.529 1.00 0.00 H new ATOM 0 HB3 SER A 905 14.544 0.829 -1.130 1.00 0.00 H new ATOM 0 HG SER A 905 16.375 1.221 -2.498 1.00 0.00 H new ATOM 303 N ILE A 906 13.157 -0.803 -3.160 1.00 0.00 N ATOM 304 CA ILE A 906 12.688 -2.183 -3.173 1.00 0.00 C ATOM 305 C ILE A 906 13.472 -3.039 -2.184 1.00 0.00 C ATOM 306 O ILE A 906 14.624 -2.744 -1.868 1.00 0.00 O ATOM 307 CB ILE A 906 12.804 -2.804 -4.577 1.00 0.00 C ATOM 308 CG1 ILE A 906 11.732 -2.226 -5.504 1.00 0.00 C ATOM 309 CG2 ILE A 906 12.682 -4.319 -4.498 1.00 0.00 C ATOM 310 CD1 ILE A 906 10.383 -2.894 -5.359 1.00 0.00 C ATOM 0 H ILE A 906 14.011 -0.642 -3.694 1.00 0.00 H new ATOM 0 HA ILE A 906 11.638 -2.162 -2.880 1.00 0.00 H new ATOM 0 HB ILE A 906 13.784 -2.559 -4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 906 11.624 -1.160 -5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 906 12.067 -2.322 -6.537 1.00 0.00 H new ATOM 0 HG21 ILE A 906 12.766 -4.743 -5.498 1.00 0.00 H new ATOM 0 HG22 ILE A 906 13.478 -4.716 -3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 906 11.715 -4.584 -4.071 1.00 0.00 H new ATOM 0 HD11 ILE A 906 9.673 -2.433 -6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 906 10.476 -3.955 -5.590 1.00 0.00 H new ATOM 0 HD13 ILE A 906 10.027 -2.776 -4.336 1.00 0.00 H new ATOM 322 N CYS A 907 12.839 -4.103 -1.700 1.00 0.00 N ATOM 323 CA CYS A 907 13.477 -5.005 -0.748 1.00 0.00 C ATOM 324 C CYS A 907 14.316 -6.054 -1.471 1.00 0.00 C ATOM 325 O CYS A 907 13.834 -6.733 -2.377 1.00 0.00 O ATOM 326 CB CYS A 907 12.422 -5.691 0.122 1.00 0.00 C ATOM 327 SG CYS A 907 13.085 -6.435 1.647 1.00 0.00 S ATOM 0 H CYS A 907 11.885 -4.362 -1.951 1.00 0.00 H new ATOM 0 HA CYS A 907 14.136 -4.414 -0.111 1.00 0.00 H new ATOM 0 HB2 CYS A 907 11.657 -4.962 0.389 1.00 0.00 H new ATOM 0 HB3 CYS A 907 11.932 -6.468 -0.465 1.00 0.00 H new ATOM 332 N ASP A 908 15.575 -6.180 -1.064 1.00 0.00 N ATOM 333 CA ASP A 908 16.482 -7.147 -1.671 1.00 0.00 C ATOM 334 C ASP A 908 16.100 -8.571 -1.279 1.00 0.00 C ATOM 335 O ASP A 908 16.326 -9.516 -2.035 1.00 0.00 O ATOM 336 CB ASP A 908 17.924 -6.859 -1.252 1.00 0.00 C ATOM 337 CG ASP A 908 18.625 -5.910 -2.204 1.00 0.00 C ATOM 338 OD1 ASP A 908 18.010 -4.894 -2.588 1.00 0.00 O ATOM 339 OD2 ASP A 908 19.789 -6.185 -2.566 1.00 0.00 O ATOM 0 H ASP A 908 15.990 -5.624 -0.316 1.00 0.00 H new ATOM 0 HA ASP A 908 16.401 -7.053 -2.754 1.00 0.00 H new ATOM 0 HB2 ASP A 908 17.930 -6.433 -0.249 1.00 0.00 H new ATOM 0 HB3 ASP A 908 18.479 -7.796 -1.203 1.00 0.00 H new ATOM 344 N ARG A 909 15.521 -8.717 -0.091 1.00 0.00 N ATOM 345 CA ARG A 909 15.110 -10.026 0.402 1.00 0.00 C ATOM 346 C ARG A 909 13.919 -10.557 -0.391 1.00 0.00 C ATOM 347 O ARG A 909 13.842 -11.749 -0.691 1.00 0.00 O ATOM 348 CB ARG A 909 14.751 -9.945 1.887 1.00 0.00 C ATOM 349 CG ARG A 909 15.808 -9.253 2.732 1.00 0.00 C ATOM 350 CD ARG A 909 17.103 -10.050 2.769 1.00 0.00 C ATOM 351 NE ARG A 909 18.254 -9.210 3.088 1.00 0.00 N ATOM 352 CZ ARG A 909 19.502 -9.513 2.748 1.00 0.00 C ATOM 353 NH1 ARG A 909 19.758 -10.630 2.081 1.00 0.00 N ATOM 354 NH2 ARG A 909 20.496 -8.698 3.074 1.00 0.00 N ATOM 0 H ARG A 909 15.326 -7.945 0.547 1.00 0.00 H new ATOM 0 HA ARG A 909 15.946 -10.713 0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 909 13.806 -9.413 1.995 1.00 0.00 H new ATOM 0 HB3 ARG A 909 14.595 -10.953 2.270 1.00 0.00 H new ATOM 0 HG2 ARG A 909 16.003 -8.259 2.330 1.00 0.00 H new ATOM 0 HG3 ARG A 909 15.433 -9.119 3.747 1.00 0.00 H new ATOM 0 HD2 ARG A 909 17.018 -10.845 3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 909 17.261 -10.530 1.803 1.00 0.00 H new ATOM 0 HE ARG A 909 18.091 -8.343 3.600 1.00 0.00 H new ATOM 0 HH11 ARG A 909 18.996 -11.259 1.828 1.00 0.00 H new ATOM 0 HH12 ARG A 909 20.717 -10.860 1.821 1.00 0.00 H new ATOM 0 HH21 ARG A 909 20.303 -7.837 3.586 1.00 0.00 H new ATOM 0 HH22 ARG A 909 21.454 -8.932 2.812 1.00 0.00 H new ATOM 368 N TYR A 910 12.994 -9.665 -0.727 1.00 0.00 N ATOM 369 CA TYR A 910 11.806 -10.044 -1.483 1.00 0.00 C ATOM 370 C TYR A 910 12.143 -10.264 -2.954 1.00 0.00 C ATOM 371 O TYR A 910 11.762 -11.274 -3.546 1.00 0.00 O ATOM 372 CB TYR A 910 10.727 -8.968 -1.351 1.00 0.00 C ATOM 373 CG TYR A 910 9.488 -9.249 -2.171 1.00 0.00 C ATOM 374 CD1 TYR A 910 8.567 -10.207 -1.769 1.00 0.00 C ATOM 375 CD2 TYR A 910 9.240 -8.556 -3.350 1.00 0.00 C ATOM 376 CE1 TYR A 910 7.434 -10.468 -2.515 1.00 0.00 C ATOM 377 CE2 TYR A 910 8.109 -8.808 -4.102 1.00 0.00 C ATOM 378 CZ TYR A 910 7.210 -9.765 -3.681 1.00 0.00 C ATOM 379 OH TYR A 910 6.083 -10.021 -4.428 1.00 0.00 O ATOM 0 H TYR A 910 13.044 -8.675 -0.488 1.00 0.00 H new ATOM 0 HA TYR A 910 11.429 -10.980 -1.072 1.00 0.00 H new ATOM 0 HB2 TYR A 910 10.445 -8.875 -0.302 1.00 0.00 H new ATOM 0 HB3 TYR A 910 11.144 -8.008 -1.655 1.00 0.00 H new ATOM 0 HD1 TYR A 910 8.739 -10.758 -0.856 1.00 0.00 H new ATOM 0 HD2 TYR A 910 9.944 -7.808 -3.684 1.00 0.00 H new ATOM 0 HE1 TYR A 910 6.728 -11.217 -2.188 1.00 0.00 H new ATOM 0 HE2 TYR A 910 7.930 -8.259 -5.014 1.00 0.00 H new ATOM 0 HH TYR A 910 6.075 -9.440 -5.217 1.00 0.00 H new ATOM 389 N MET A 911 12.862 -9.311 -3.538 1.00 0.00 N ATOM 390 CA MET A 911 13.254 -9.401 -4.940 1.00 0.00 C ATOM 391 C MET A 911 14.038 -10.682 -5.205 1.00 0.00 C ATOM 392 O MET A 911 13.766 -11.399 -6.168 1.00 0.00 O ATOM 393 CB MET A 911 14.093 -8.185 -5.336 1.00 0.00 C ATOM 394 CG MET A 911 13.266 -7.011 -5.836 1.00 0.00 C ATOM 395 SD MET A 911 12.479 -7.343 -7.424 1.00 0.00 S ATOM 396 CE MET A 911 10.753 -7.374 -6.946 1.00 0.00 C ATOM 0 H MET A 911 13.185 -8.468 -3.063 1.00 0.00 H new ATOM 0 HA MET A 911 12.347 -9.420 -5.544 1.00 0.00 H new ATOM 0 HB2 MET A 911 14.681 -7.864 -4.476 1.00 0.00 H new ATOM 0 HB3 MET A 911 14.799 -8.479 -6.113 1.00 0.00 H new ATOM 0 HG2 MET A 911 12.500 -6.771 -5.098 1.00 0.00 H new ATOM 0 HG3 MET A 911 13.906 -6.134 -5.928 1.00 0.00 H new ATOM 0 HE1 MET A 911 10.129 -7.409 -7.839 1.00 0.00 H new ATOM 0 HE2 MET A 911 10.561 -8.255 -6.334 1.00 0.00 H new ATOM 0 HE3 MET A 911 10.518 -6.476 -6.374 1.00 0.00 H new ATOM 406 N ASN A 912 15.011 -10.964 -4.345 1.00 0.00 N ATOM 407 CA ASN A 912 15.834 -12.159 -4.487 1.00 0.00 C ATOM 408 C ASN A 912 14.966 -13.398 -4.686 1.00 0.00 C ATOM 409 O ASN A 912 15.275 -14.261 -5.506 1.00 0.00 O ATOM 410 CB ASN A 912 16.726 -12.339 -3.257 1.00 0.00 C ATOM 411 CG ASN A 912 18.063 -11.640 -3.404 1.00 0.00 C ATOM 412 OD1 ASN A 912 18.024 -10.348 -3.710 1.00 0.00 O flip ATOM 413 ND2 ASN A 912 19.118 -12.254 -3.245 1.00 0.00 N flip ATOM 0 H ASN A 912 15.249 -10.381 -3.542 1.00 0.00 H new ATOM 0 HA ASN A 912 16.463 -12.033 -5.368 1.00 0.00 H new ATOM 0 HB2 ASN A 912 16.211 -11.951 -2.378 1.00 0.00 H new ATOM 0 HB3 ASN A 912 16.892 -13.402 -3.085 1.00 0.00 H new ATOM 0 HD21 ASN A 912 19.100 -13.247 -3.011 1.00 0.00 H new ATOM 0 HD22 ASN A 912 20.010 -11.770 -3.348 1.00 0.00 H new ATOM 420 N GLY A 913 13.876 -13.477 -3.928 1.00 0.00 N ATOM 421 CA GLY A 913 12.979 -14.613 -4.036 1.00 0.00 C ATOM 422 C GLY A 913 12.132 -14.803 -2.794 1.00 0.00 C ATOM 423 O GLY A 913 10.921 -15.012 -2.883 1.00 0.00 O ATOM 0 H GLY A 913 13.599 -12.775 -3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 913 12.327 -14.477 -4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 913 13.562 -15.516 -4.216 1.00 0.00 H new ATOM 427 N THR A 914 12.768 -14.731 -1.628 1.00 0.00 N ATOM 428 CA THR A 914 12.066 -14.899 -0.362 1.00 0.00 C ATOM 429 C THR A 914 12.579 -13.917 0.685 1.00 0.00 C ATOM 430 O THR A 914 13.784 -13.806 0.909 1.00 0.00 O ATOM 431 CB THR A 914 12.216 -16.334 0.177 1.00 0.00 C ATOM 432 OG1 THR A 914 11.408 -16.504 1.347 1.00 0.00 O ATOM 433 CG2 THR A 914 13.669 -16.637 0.511 1.00 0.00 C ATOM 0 H THR A 914 13.769 -14.557 -1.535 1.00 0.00 H new ATOM 0 HA THR A 914 11.012 -14.701 -0.556 1.00 0.00 H new ATOM 0 HB THR A 914 11.885 -17.026 -0.597 1.00 0.00 H new ATOM 0 HG1 THR A 914 11.507 -17.419 1.683 1.00 0.00 H new ATOM 0 HG21 THR A 914 13.750 -17.656 0.890 1.00 0.00 H new ATOM 0 HG22 THR A 914 14.278 -16.534 -0.387 1.00 0.00 H new ATOM 0 HG23 THR A 914 14.021 -15.938 1.270 1.00 0.00 H new ATOM 441 N CYS A 915 11.656 -13.207 1.326 1.00 0.00 N ATOM 442 CA CYS A 915 12.014 -12.235 2.351 1.00 0.00 C ATOM 443 C CYS A 915 11.434 -12.633 3.705 1.00 0.00 C ATOM 444 O CYS A 915 10.313 -13.132 3.806 1.00 0.00 O ATOM 445 CB CYS A 915 11.515 -10.842 1.959 1.00 0.00 C ATOM 446 SG CYS A 915 11.435 -9.664 3.346 1.00 0.00 S ATOM 0 H CYS A 915 10.654 -13.287 1.153 1.00 0.00 H new ATOM 0 HA CYS A 915 13.101 -12.215 2.433 1.00 0.00 H new ATOM 0 HB2 CYS A 915 12.171 -10.436 1.189 1.00 0.00 H new ATOM 0 HB3 CYS A 915 10.523 -10.934 1.517 1.00 0.00 H new ATOM 451 N PRO A 916 12.214 -12.407 4.772 1.00 0.00 N ATOM 452 CA PRO A 916 11.799 -12.734 6.140 1.00 0.00 C ATOM 453 C PRO A 916 10.684 -11.823 6.640 1.00 0.00 C ATOM 454 O PRO A 916 9.711 -12.287 7.235 1.00 0.00 O ATOM 455 CB PRO A 916 13.074 -12.518 6.959 1.00 0.00 C ATOM 456 CG PRO A 916 13.868 -11.533 6.172 1.00 0.00 C ATOM 457 CD PRO A 916 13.562 -11.815 4.727 1.00 0.00 C ATOM 0 HA PRO A 916 11.395 -13.744 6.213 1.00 0.00 H new ATOM 0 HB2 PRO A 916 12.845 -12.137 7.954 1.00 0.00 H new ATOM 0 HB3 PRO A 916 13.621 -13.451 7.093 1.00 0.00 H new ATOM 0 HG2 PRO A 916 13.595 -10.511 6.437 1.00 0.00 H new ATOM 0 HG3 PRO A 916 14.934 -11.641 6.374 1.00 0.00 H new ATOM 0 HD2 PRO A 916 13.581 -10.905 4.127 1.00 0.00 H new ATOM 0 HD3 PRO A 916 14.287 -12.501 4.289 1.00 0.00 H new ATOM 465 N GLU A 917 10.831 -10.525 6.395 1.00 0.00 N ATOM 466 CA GLU A 917 9.835 -9.549 6.822 1.00 0.00 C ATOM 467 C GLU A 917 8.452 -9.916 6.291 1.00 0.00 C ATOM 468 O GLU A 917 7.509 -10.102 7.059 1.00 0.00 O ATOM 469 CB GLU A 917 10.222 -8.148 6.343 1.00 0.00 C ATOM 470 CG GLU A 917 11.615 -7.722 6.775 1.00 0.00 C ATOM 471 CD GLU A 917 11.693 -7.389 8.252 1.00 0.00 C ATOM 472 OE1 GLU A 917 11.083 -8.125 9.058 1.00 0.00 O ATOM 473 OE2 GLU A 917 12.361 -6.395 8.603 1.00 0.00 O ATOM 0 H GLU A 917 11.630 -10.125 5.903 1.00 0.00 H new ATOM 0 HA GLU A 917 9.801 -9.556 7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 917 10.162 -8.115 5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 917 9.497 -7.429 6.724 1.00 0.00 H new ATOM 0 HG2 GLU A 917 12.321 -8.521 6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 917 11.921 -6.852 6.194 1.00 0.00 H new ATOM 480 N GLY A 918 8.340 -10.016 4.970 1.00 0.00 N ATOM 481 CA GLY A 918 7.069 -10.359 4.357 1.00 0.00 C ATOM 482 C GLY A 918 6.241 -9.136 4.016 1.00 0.00 C ATOM 483 O GLY A 918 6.579 -8.385 3.102 1.00 0.00 O ATOM 0 H GLY A 918 9.106 -9.866 4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 918 7.250 -10.936 3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 918 6.504 -10.999 5.034 1.00 0.00 H new ATOM 487 N ASN A 919 5.153 -8.936 4.752 1.00 0.00 N ATOM 488 CA ASN A 919 4.272 -7.797 4.521 1.00 0.00 C ATOM 489 C ASN A 919 4.652 -6.625 5.421 1.00 0.00 C ATOM 490 O ASN A 919 4.513 -5.464 5.037 1.00 0.00 O ATOM 491 CB ASN A 919 2.815 -8.193 4.768 1.00 0.00 C ATOM 492 CG ASN A 919 2.576 -8.655 6.193 1.00 0.00 C ATOM 493 OD1 ASN A 919 2.967 -9.889 6.488 1.00 0.00 O flip ATOM 494 ND2 ASN A 919 2.044 -7.911 7.017 1.00 0.00 N flip ATOM 0 H ASN A 919 4.860 -9.548 5.514 1.00 0.00 H new ATOM 0 HA ASN A 919 4.385 -7.487 3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 919 2.168 -7.343 4.551 1.00 0.00 H new ATOM 0 HB3 ASN A 919 2.536 -8.990 4.079 1.00 0.00 H new ATOM 0 HD21 ASN A 919 1.760 -6.970 6.746 1.00 0.00 H new ATOM 0 HD22 ASN A 919 1.888 -8.236 7.971 1.00 0.00 H new ATOM 501 N SER A 920 5.133 -6.938 6.620 1.00 0.00 N ATOM 502 CA SER A 920 5.530 -5.911 7.576 1.00 0.00 C ATOM 503 C SER A 920 6.957 -5.442 7.308 1.00 0.00 C ATOM 504 O SER A 920 7.683 -5.067 8.230 1.00 0.00 O ATOM 505 CB SER A 920 5.417 -6.445 9.006 1.00 0.00 C ATOM 506 OG SER A 920 5.127 -5.400 9.918 1.00 0.00 O ATOM 0 H SER A 920 5.257 -7.894 6.952 1.00 0.00 H new ATOM 0 HA SER A 920 4.858 -5.061 7.459 1.00 0.00 H new ATOM 0 HB2 SER A 920 4.634 -7.202 9.054 1.00 0.00 H new ATOM 0 HB3 SER A 920 6.350 -6.932 9.291 1.00 0.00 H new ATOM 0 HG SER A 920 5.058 -5.766 10.824 1.00 0.00 H new ATOM 512 N CYS A 921 7.353 -5.467 6.040 1.00 0.00 N ATOM 513 CA CYS A 921 8.693 -5.046 5.648 1.00 0.00 C ATOM 514 C CYS A 921 8.761 -3.530 5.489 1.00 0.00 C ATOM 515 O CYS A 921 7.745 -2.871 5.262 1.00 0.00 O ATOM 516 CB CYS A 921 9.102 -5.726 4.341 1.00 0.00 C ATOM 517 SG CYS A 921 10.900 -5.761 4.052 1.00 0.00 S ATOM 0 H CYS A 921 6.765 -5.775 5.266 1.00 0.00 H new ATOM 0 HA CYS A 921 9.386 -5.343 6.436 1.00 0.00 H new ATOM 0 HB2 CYS A 921 8.725 -6.749 4.343 1.00 0.00 H new ATOM 0 HB3 CYS A 921 8.621 -5.210 3.510 1.00 0.00 H new ATOM 522 N LYS A 922 9.965 -2.981 5.608 1.00 0.00 N ATOM 523 CA LYS A 922 10.169 -1.544 5.476 1.00 0.00 C ATOM 524 C LYS A 922 10.406 -1.159 4.019 1.00 0.00 C ATOM 525 O LYS A 922 10.118 -0.035 3.608 1.00 0.00 O ATOM 526 CB LYS A 922 11.355 -1.094 6.332 1.00 0.00 C ATOM 527 CG LYS A 922 12.693 -1.617 5.840 1.00 0.00 C ATOM 528 CD LYS A 922 13.760 -1.521 6.917 1.00 0.00 C ATOM 529 CE LYS A 922 14.427 -0.154 6.921 1.00 0.00 C ATOM 530 NZ LYS A 922 15.192 0.087 8.176 1.00 0.00 N ATOM 0 H LYS A 922 10.816 -3.511 5.796 1.00 0.00 H new ATOM 0 HA LYS A 922 9.266 -1.042 5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 922 11.385 -0.005 6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 922 11.199 -1.427 7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 922 12.585 -2.655 5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 922 13.007 -1.049 4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 922 13.312 -1.711 7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 922 14.512 -2.293 6.755 1.00 0.00 H new ATOM 0 HE2 LYS A 922 15.098 -0.075 6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 922 13.669 0.620 6.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 15.283 1.111 8.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 14.689 -0.345 8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 16.138 -0.336 8.092 1.00 0.00 H new ATOM 544 N PHE A 923 10.931 -2.101 3.241 1.00 0.00 N ATOM 545 CA PHE A 923 11.206 -1.860 1.830 1.00 0.00 C ATOM 546 C PHE A 923 10.016 -2.269 0.966 1.00 0.00 C ATOM 547 O PHE A 923 9.112 -2.966 1.427 1.00 0.00 O ATOM 548 CB PHE A 923 12.455 -2.629 1.394 1.00 0.00 C ATOM 549 CG PHE A 923 13.733 -2.045 1.922 1.00 0.00 C ATOM 550 CD1 PHE A 923 14.187 -0.815 1.473 1.00 0.00 C ATOM 551 CD2 PHE A 923 14.482 -2.726 2.869 1.00 0.00 C ATOM 552 CE1 PHE A 923 15.363 -0.274 1.958 1.00 0.00 C ATOM 553 CE2 PHE A 923 15.659 -2.190 3.358 1.00 0.00 C ATOM 554 CZ PHE A 923 16.100 -0.963 2.901 1.00 0.00 C ATOM 0 H PHE A 923 11.174 -3.037 3.564 1.00 0.00 H new ATOM 0 HA PHE A 923 11.379 -0.792 1.696 1.00 0.00 H new ATOM 0 HB2 PHE A 923 12.371 -3.663 1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 923 12.497 -2.650 0.305 1.00 0.00 H new ATOM 0 HD1 PHE A 923 13.615 -0.272 0.735 1.00 0.00 H new ATOM 0 HD2 PHE A 923 14.142 -3.686 3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 923 15.705 0.686 1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 923 16.233 -2.730 4.096 1.00 0.00 H new ATOM 0 HZ PHE A 923 17.020 -0.543 3.281 1.00 0.00 H new ATOM 564 N ALA A 924 10.024 -1.831 -0.288 1.00 0.00 N ATOM 565 CA ALA A 924 8.948 -2.152 -1.217 1.00 0.00 C ATOM 566 C ALA A 924 9.058 -3.591 -1.709 1.00 0.00 C ATOM 567 O ALA A 924 10.147 -4.164 -1.743 1.00 0.00 O ATOM 568 CB ALA A 924 8.960 -1.187 -2.393 1.00 0.00 C ATOM 0 H ALA A 924 10.764 -1.252 -0.684 1.00 0.00 H new ATOM 0 HA ALA A 924 8.001 -2.049 -0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 924 8.151 -1.439 -3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 924 8.824 -0.169 -2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 924 9.914 -1.261 -2.915 1.00 0.00 H new ATOM 574 N HIS A 925 7.924 -4.170 -2.090 1.00 0.00 N ATOM 575 CA HIS A 925 7.894 -5.543 -2.581 1.00 0.00 C ATOM 576 C HIS A 925 7.280 -5.608 -3.976 1.00 0.00 C ATOM 577 O HIS A 925 6.059 -5.580 -4.130 1.00 0.00 O ATOM 578 CB HIS A 925 7.103 -6.432 -1.621 1.00 0.00 C ATOM 579 CG HIS A 925 7.900 -6.898 -0.442 1.00 0.00 C ATOM 580 ND1 HIS A 925 7.631 -8.070 0.233 1.00 0.00 N ATOM 581 CD2 HIS A 925 8.965 -6.343 0.181 1.00 0.00 C ATOM 582 CE1 HIS A 925 8.495 -8.214 1.221 1.00 0.00 C ATOM 583 NE2 HIS A 925 9.316 -7.180 1.212 1.00 0.00 N ATOM 0 H HIS A 925 7.014 -3.710 -2.068 1.00 0.00 H new ATOM 0 HA HIS A 925 8.920 -5.905 -2.638 1.00 0.00 H new ATOM 0 HB2 HIS A 925 6.231 -5.883 -1.266 1.00 0.00 H new ATOM 0 HB3 HIS A 925 6.733 -7.301 -2.165 1.00 0.00 H new ATOM 0 HD1 HIS A 925 6.882 -8.723 0.005 1.00 0.00 H new ATOM 0 HD2 HIS A 925 9.449 -5.414 -0.083 1.00 0.00 H new ATOM 0 HE1 HIS A 925 8.525 -9.038 1.918 1.00 0.00 H new ATOM 591 N GLY A 926 8.135 -5.693 -4.991 1.00 0.00 N ATOM 592 CA GLY A 926 7.658 -5.760 -6.360 1.00 0.00 C ATOM 593 C GLY A 926 7.574 -4.394 -7.011 1.00 0.00 C ATOM 594 O GLY A 926 6.980 -3.470 -6.457 1.00 0.00 O ATOM 0 H GLY A 926 9.150 -5.717 -4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 926 8.324 -6.397 -6.943 1.00 0.00 H new ATOM 0 HA3 GLY A 926 6.674 -6.228 -6.376 1.00 0.00 H new ATOM 598 N ASN A 927 8.171 -4.265 -8.192 1.00 0.00 N ATOM 599 CA ASN A 927 8.163 -3.000 -8.919 1.00 0.00 C ATOM 600 C ASN A 927 6.786 -2.346 -8.857 1.00 0.00 C ATOM 601 O ASN A 927 6.663 -1.163 -8.541 1.00 0.00 O ATOM 602 CB ASN A 927 8.569 -3.224 -10.377 1.00 0.00 C ATOM 603 CG ASN A 927 9.870 -3.993 -10.503 1.00 0.00 C ATOM 604 OD1 ASN A 927 10.955 -3.417 -10.423 1.00 0.00 O ATOM 605 ND2 ASN A 927 9.766 -5.302 -10.702 1.00 0.00 N ATOM 0 H ASN A 927 8.666 -5.021 -8.666 1.00 0.00 H new ATOM 0 HA ASN A 927 8.884 -2.333 -8.447 1.00 0.00 H new ATOM 0 HB2 ASN A 927 7.777 -3.768 -10.892 1.00 0.00 H new ATOM 0 HB3 ASN A 927 8.670 -2.260 -10.875 1.00 0.00 H new ATOM 0 HD21 ASN A 927 10.607 -5.872 -10.795 1.00 0.00 H new ATOM 0 HD22 ASN A 927 8.845 -5.737 -10.762 1.00 0.00 H new ATOM 612 N ALA A 928 5.753 -3.125 -9.161 1.00 0.00 N ATOM 613 CA ALA A 928 4.385 -2.623 -9.137 1.00 0.00 C ATOM 614 C ALA A 928 4.050 -2.004 -7.784 1.00 0.00 C ATOM 615 O ALA A 928 3.583 -0.868 -7.710 1.00 0.00 O ATOM 616 CB ALA A 928 3.406 -3.741 -9.465 1.00 0.00 C ATOM 0 H ALA A 928 5.838 -4.106 -9.427 1.00 0.00 H new ATOM 0 HA ALA A 928 4.297 -1.844 -9.895 1.00 0.00 H new ATOM 0 HB1 ALA A 928 2.388 -3.351 -9.443 1.00 0.00 H new ATOM 0 HB2 ALA A 928 3.623 -4.135 -10.458 1.00 0.00 H new ATOM 0 HB3 ALA A 928 3.505 -4.539 -8.729 1.00 0.00 H new ATOM 622 N GLU A 929 4.292 -2.759 -6.717 1.00 0.00 N ATOM 623 CA GLU A 929 4.014 -2.284 -5.367 1.00 0.00 C ATOM 624 C GLU A 929 4.593 -0.889 -5.151 1.00 0.00 C ATOM 625 O GLU A 929 3.886 0.032 -4.740 1.00 0.00 O ATOM 626 CB GLU A 929 4.591 -3.253 -4.333 1.00 0.00 C ATOM 627 CG GLU A 929 4.230 -2.899 -2.900 1.00 0.00 C ATOM 628 CD GLU A 929 5.245 -1.978 -2.252 1.00 0.00 C ATOM 629 OE1 GLU A 929 5.393 -0.832 -2.723 1.00 0.00 O ATOM 630 OE2 GLU A 929 5.892 -2.405 -1.272 1.00 0.00 O ATOM 0 H GLU A 929 4.680 -3.701 -6.761 1.00 0.00 H new ATOM 0 HA GLU A 929 2.932 -2.233 -5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 929 4.233 -4.259 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 929 5.676 -3.272 -4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 929 3.250 -2.422 -2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 929 4.149 -3.814 -2.313 1.00 0.00 H new ATOM 637 N LEU A 930 5.883 -0.740 -5.432 1.00 0.00 N ATOM 638 CA LEU A 930 6.559 0.543 -5.269 1.00 0.00 C ATOM 639 C LEU A 930 5.744 1.670 -5.895 1.00 0.00 C ATOM 640 O LEU A 930 5.374 2.632 -5.221 1.00 0.00 O ATOM 641 CB LEU A 930 7.951 0.492 -5.901 1.00 0.00 C ATOM 642 CG LEU A 930 8.852 1.699 -5.637 1.00 0.00 C ATOM 643 CD1 LEU A 930 9.432 1.635 -4.232 1.00 0.00 C ATOM 644 CD2 LEU A 930 9.964 1.771 -6.673 1.00 0.00 C ATOM 0 H LEU A 930 6.482 -1.492 -5.774 1.00 0.00 H new ATOM 0 HA LEU A 930 6.659 0.741 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 930 8.460 -0.402 -5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 930 7.835 0.379 -6.979 1.00 0.00 H new ATOM 0 HG LEU A 930 8.249 2.603 -5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 930 10.070 2.502 -4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 930 8.621 1.633 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 930 10.020 0.724 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 930 10.595 2.636 -6.470 1.00 0.00 H new ATOM 0 HD22 LEU A 930 10.566 0.863 -6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 930 9.529 1.865 -7.668 1.00 0.00 H new ATOM 656 N HIS A 931 5.467 1.545 -7.189 1.00 0.00 N ATOM 657 CA HIS A 931 4.694 2.553 -7.906 1.00 0.00 C ATOM 658 C HIS A 931 3.628 3.165 -7.002 1.00 0.00 C ATOM 659 O HIS A 931 3.582 4.381 -6.817 1.00 0.00 O ATOM 660 CB HIS A 931 4.038 1.938 -9.143 1.00 0.00 C ATOM 661 CG HIS A 931 4.992 1.177 -10.011 1.00 0.00 C ATOM 662 ND1 HIS A 931 4.581 0.290 -10.983 1.00 0.00 N ATOM 663 CD2 HIS A 931 6.345 1.177 -10.051 1.00 0.00 C ATOM 664 CE1 HIS A 931 5.640 -0.225 -11.582 1.00 0.00 C ATOM 665 NE2 HIS A 931 6.723 0.297 -11.035 1.00 0.00 N ATOM 0 H HIS A 931 5.766 0.756 -7.762 1.00 0.00 H new ATOM 0 HA HIS A 931 5.376 3.343 -8.220 1.00 0.00 H new ATOM 0 HB2 HIS A 931 3.237 1.270 -8.825 1.00 0.00 H new ATOM 0 HB3 HIS A 931 3.577 2.731 -9.732 1.00 0.00 H new ATOM 0 HD2 HIS A 931 7.004 1.760 -9.426 1.00 0.00 H new ATOM 0 HE1 HIS A 931 5.623 -0.950 -12.383 1.00 0.00 H new ATOM 0 HE2 HIS A 931 7.684 0.081 -11.300 1.00 0.00 H new ATOM 673 N GLU A 932 2.773 2.314 -6.443 1.00 0.00 N ATOM 674 CA GLU A 932 1.708 2.773 -5.559 1.00 0.00 C ATOM 675 C GLU A 932 2.283 3.449 -4.318 1.00 0.00 C ATOM 676 O GLU A 932 1.833 4.523 -3.919 1.00 0.00 O ATOM 677 CB GLU A 932 0.816 1.599 -5.147 1.00 0.00 C ATOM 678 CG GLU A 932 -0.033 1.052 -6.282 1.00 0.00 C ATOM 679 CD GLU A 932 0.745 0.132 -7.202 1.00 0.00 C ATOM 680 OE1 GLU A 932 1.098 -0.983 -6.765 1.00 0.00 O ATOM 681 OE2 GLU A 932 1.001 0.527 -8.359 1.00 0.00 O ATOM 0 H GLU A 932 2.797 1.304 -6.586 1.00 0.00 H new ATOM 0 HA GLU A 932 1.109 3.503 -6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 932 1.442 0.798 -4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 932 0.161 1.918 -4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 932 -0.883 0.510 -5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 932 -0.437 1.882 -6.861 1.00 0.00 H new ATOM 688 N TRP A 933 3.279 2.813 -3.714 1.00 0.00 N ATOM 689 CA TRP A 933 3.916 3.352 -2.517 1.00 0.00 C ATOM 690 C TRP A 933 4.315 4.809 -2.723 1.00 0.00 C ATOM 691 O TRP A 933 4.001 5.669 -1.901 1.00 0.00 O ATOM 692 CB TRP A 933 5.146 2.520 -2.150 1.00 0.00 C ATOM 693 CG TRP A 933 4.841 1.390 -1.214 1.00 0.00 C ATOM 694 CD1 TRP A 933 3.626 0.801 -1.009 1.00 0.00 C ATOM 695 CD2 TRP A 933 5.767 0.716 -0.355 1.00 0.00 C ATOM 696 NE1 TRP A 933 3.741 -0.199 -0.074 1.00 0.00 N ATOM 697 CE2 TRP A 933 5.044 -0.272 0.342 1.00 0.00 C ATOM 698 CE3 TRP A 933 7.136 0.849 -0.108 1.00 0.00 C ATOM 699 CZ2 TRP A 933 5.646 -1.119 1.269 1.00 0.00 C ATOM 700 CZ3 TRP A 933 7.732 0.007 0.812 1.00 0.00 C ATOM 701 CH2 TRP A 933 6.988 -0.967 1.491 1.00 0.00 C ATOM 0 H TRP A 933 3.664 1.924 -4.033 1.00 0.00 H new ATOM 0 HA TRP A 933 3.197 3.304 -1.699 1.00 0.00 H new ATOM 0 HB2 TRP A 933 5.589 2.118 -3.061 1.00 0.00 H new ATOM 0 HB3 TRP A 933 5.892 3.170 -1.693 1.00 0.00 H new ATOM 0 HD1 TRP A 933 2.710 1.080 -1.508 1.00 0.00 H new ATOM 0 HE1 TRP A 933 2.979 -0.791 0.257 1.00 0.00 H new ATOM 0 HE3 TRP A 933 7.718 1.596 -0.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 933 5.074 -1.870 1.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 933 8.789 0.101 1.011 1.00 0.00 H new ATOM 0 HH2 TRP A 933 7.483 -1.610 2.203 1.00 0.00 H new ATOM 712 N GLU A 934 5.009 5.078 -3.824 1.00 0.00 N ATOM 713 CA GLU A 934 5.451 6.432 -4.136 1.00 0.00 C ATOM 714 C GLU A 934 4.317 7.434 -3.939 1.00 0.00 C ATOM 715 O GLU A 934 4.536 8.551 -3.471 1.00 0.00 O ATOM 716 CB GLU A 934 5.967 6.506 -5.575 1.00 0.00 C ATOM 717 CG GLU A 934 7.163 5.606 -5.839 1.00 0.00 C ATOM 718 CD GLU A 934 7.653 5.694 -7.272 1.00 0.00 C ATOM 719 OE1 GLU A 934 7.115 4.964 -8.130 1.00 0.00 O ATOM 720 OE2 GLU A 934 8.576 6.494 -7.534 1.00 0.00 O ATOM 0 H GLU A 934 5.277 4.377 -4.514 1.00 0.00 H new ATOM 0 HA GLU A 934 6.261 6.688 -3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 934 5.161 6.234 -6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 934 6.241 7.536 -5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 934 7.974 5.878 -5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 934 6.894 4.574 -5.614 1.00 0.00 H new ATOM 727 N GLU A 935 3.105 7.025 -4.300 1.00 0.00 N ATOM 728 CA GLU A 935 1.936 7.887 -4.165 1.00 0.00 C ATOM 729 C GLU A 935 1.475 7.952 -2.712 1.00 0.00 C ATOM 730 O GLU A 935 1.405 9.030 -2.120 1.00 0.00 O ATOM 731 CB GLU A 935 0.796 7.381 -5.051 1.00 0.00 C ATOM 732 CG GLU A 935 1.095 7.472 -6.538 1.00 0.00 C ATOM 733 CD GLU A 935 1.100 8.901 -7.045 1.00 0.00 C ATOM 734 OE1 GLU A 935 0.004 9.475 -7.216 1.00 0.00 O ATOM 735 OE2 GLU A 935 2.201 9.446 -7.271 1.00 0.00 O ATOM 0 H GLU A 935 2.907 6.103 -4.688 1.00 0.00 H new ATOM 0 HA GLU A 935 2.217 8.890 -4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 935 0.581 6.344 -4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 935 -0.104 7.956 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 935 2.064 7.016 -6.739 1.00 0.00 H new ATOM 0 HG3 GLU A 935 0.352 6.897 -7.090 1.00 0.00 H new ATOM 742 N ARG A 936 1.160 6.793 -2.144 1.00 0.00 N ATOM 743 CA ARG A 936 0.704 6.718 -0.761 1.00 0.00 C ATOM 744 C ARG A 936 1.395 7.773 0.098 1.00 0.00 C ATOM 745 O ARG A 936 0.763 8.721 0.563 1.00 0.00 O ATOM 746 CB ARG A 936 0.969 5.325 -0.188 1.00 0.00 C ATOM 747 CG ARG A 936 0.480 4.196 -1.081 1.00 0.00 C ATOM 748 CD ARG A 936 0.270 2.913 -0.292 1.00 0.00 C ATOM 749 NE ARG A 936 -1.116 2.757 0.140 1.00 0.00 N ATOM 750 CZ ARG A 936 -2.124 2.526 -0.693 1.00 0.00 C ATOM 751 NH1 ARG A 936 -1.901 2.424 -1.996 1.00 0.00 N ATOM 752 NH2 ARG A 936 -3.358 2.396 -0.224 1.00 0.00 N ATOM 0 H ARG A 936 1.212 5.892 -2.620 1.00 0.00 H new ATOM 0 HA ARG A 936 -0.369 6.910 -0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 936 2.040 5.207 -0.022 1.00 0.00 H new ATOM 0 HB3 ARG A 936 0.484 5.243 0.785 1.00 0.00 H new ATOM 0 HG2 ARG A 936 -0.455 4.488 -1.559 1.00 0.00 H new ATOM 0 HG3 ARG A 936 1.204 4.021 -1.877 1.00 0.00 H new ATOM 0 HD2 ARG A 936 0.557 2.059 -0.906 1.00 0.00 H new ATOM 0 HD3 ARG A 936 0.924 2.913 0.580 1.00 0.00 H new ATOM 0 HE ARG A 936 -1.321 2.829 1.137 1.00 0.00 H new ATOM 0 HH11 ARG A 936 -0.954 2.523 -2.361 1.00 0.00 H new ATOM 0 HH12 ARG A 936 -2.677 2.247 -2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 936 -3.534 2.473 0.778 1.00 0.00 H new ATOM 0 HH22 ARG A 936 -4.131 2.219 -0.865 1.00 0.00 H new ATOM 766 N ARG A 937 2.697 7.601 0.304 1.00 0.00 N ATOM 767 CA ARG A 937 3.474 8.536 1.108 1.00 0.00 C ATOM 768 C ARG A 937 3.317 9.962 0.586 1.00 0.00 C ATOM 769 O ARG A 937 3.389 10.924 1.350 1.00 0.00 O ATOM 770 CB ARG A 937 4.951 8.140 1.105 1.00 0.00 C ATOM 771 CG ARG A 937 5.683 8.508 2.385 1.00 0.00 C ATOM 772 CD ARG A 937 5.764 10.015 2.567 1.00 0.00 C ATOM 773 NE ARG A 937 6.945 10.412 3.329 1.00 0.00 N ATOM 774 CZ ARG A 937 8.190 10.211 2.911 1.00 0.00 C ATOM 775 NH1 ARG A 937 8.415 9.621 1.745 1.00 0.00 N ATOM 776 NH2 ARG A 937 9.213 10.601 3.660 1.00 0.00 N ATOM 0 H ARG A 937 3.236 6.822 -0.075 1.00 0.00 H new ATOM 0 HA ARG A 937 3.097 8.498 2.130 1.00 0.00 H new ATOM 0 HB2 ARG A 937 5.030 7.064 0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 937 5.446 8.622 0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 937 5.171 8.064 3.239 1.00 0.00 H new ATOM 0 HG3 ARG A 937 6.689 8.088 2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 937 5.784 10.497 1.590 1.00 0.00 H new ATOM 0 HD3 ARG A 937 4.868 10.367 3.078 1.00 0.00 H new ATOM 0 HE ARG A 937 6.807 10.868 4.231 1.00 0.00 H new ATOM 0 HH11 ARG A 937 7.631 9.320 1.166 1.00 0.00 H new ATOM 0 HH12 ARG A 937 9.372 9.468 1.427 1.00 0.00 H new ATOM 0 HH21 ARG A 937 9.044 11.055 4.557 1.00 0.00 H new ATOM 0 HH22 ARG A 937 10.169 10.446 3.339 1.00 0.00 H new ATOM 790 N ASP A 938 3.104 10.088 -0.719 1.00 0.00 N ATOM 791 CA ASP A 938 2.936 11.395 -1.344 1.00 0.00 C ATOM 792 C ASP A 938 1.744 12.135 -0.746 1.00 0.00 C ATOM 793 O ASP A 938 1.547 13.323 -0.998 1.00 0.00 O ATOM 794 CB ASP A 938 2.753 11.243 -2.854 1.00 0.00 C ATOM 795 CG ASP A 938 3.331 12.410 -3.629 1.00 0.00 C ATOM 796 OD1 ASP A 938 4.563 12.611 -3.569 1.00 0.00 O ATOM 797 OD2 ASP A 938 2.553 13.124 -4.296 1.00 0.00 O ATOM 0 H ASP A 938 3.044 9.301 -1.365 1.00 0.00 H new ATOM 0 HA ASP A 938 3.836 11.979 -1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 938 3.230 10.320 -3.183 1.00 0.00 H new ATOM 0 HB3 ASP A 938 1.691 11.151 -3.081 1.00 0.00 H new ATOM 802 N ALA A 939 0.950 11.423 0.048 1.00 0.00 N ATOM 803 CA ALA A 939 -0.223 12.011 0.682 1.00 0.00 C ATOM 804 C ALA A 939 0.138 12.648 2.020 1.00 0.00 C ATOM 805 O ALA A 939 -0.224 13.794 2.291 1.00 0.00 O ATOM 806 CB ALA A 939 -1.305 10.958 0.871 1.00 0.00 C ATOM 0 H ALA A 939 1.098 10.438 0.267 1.00 0.00 H new ATOM 0 HA ALA A 939 -0.605 12.794 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 939 -2.175 11.412 1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 939 -1.591 10.552 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 939 -0.925 10.155 1.502 1.00 0.00 H new ATOM 812 N LEU A 940 0.852 11.899 2.852 1.00 0.00 N ATOM 813 CA LEU A 940 1.262 12.390 4.163 1.00 0.00 C ATOM 814 C LEU A 940 1.929 13.757 4.049 1.00 0.00 C ATOM 815 O LEU A 940 1.555 14.703 4.743 1.00 0.00 O ATOM 816 CB LEU A 940 2.219 11.398 4.826 1.00 0.00 C ATOM 817 CG LEU A 940 1.703 9.965 4.973 1.00 0.00 C ATOM 818 CD1 LEU A 940 2.757 9.083 5.624 1.00 0.00 C ATOM 819 CD2 LEU A 940 0.414 9.943 5.781 1.00 0.00 C ATOM 0 H LEU A 940 1.159 10.949 2.642 1.00 0.00 H new ATOM 0 HA LEU A 940 0.369 12.492 4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 940 3.143 11.373 4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 940 2.473 11.775 5.817 1.00 0.00 H new ATOM 0 HG LEU A 940 1.492 9.571 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 940 2.373 8.068 5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 940 3.655 9.074 5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 940 2.999 9.475 6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 940 0.061 8.916 5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 940 0.599 10.356 6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 940 -0.343 10.541 5.274 1.00 0.00 H new ATOM 831 N LYS A 941 2.917 13.855 3.166 1.00 0.00 N ATOM 832 CA LYS A 941 3.635 15.107 2.956 1.00 0.00 C ATOM 833 C LYS A 941 2.671 16.288 2.922 1.00 0.00 C ATOM 834 O LYS A 941 2.998 17.382 3.380 1.00 0.00 O ATOM 835 CB LYS A 941 4.433 15.048 1.652 1.00 0.00 C ATOM 836 CG LYS A 941 3.577 15.209 0.407 1.00 0.00 C ATOM 837 CD LYS A 941 4.398 15.035 -0.860 1.00 0.00 C ATOM 838 CE LYS A 941 5.309 16.228 -1.102 1.00 0.00 C ATOM 839 NZ LYS A 941 6.621 16.072 -0.415 1.00 0.00 N ATOM 0 H LYS A 941 3.239 13.082 2.584 1.00 0.00 H new ATOM 0 HA LYS A 941 4.323 15.247 3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 941 5.192 15.830 1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 941 4.959 14.095 1.600 1.00 0.00 H new ATOM 0 HG2 LYS A 941 2.770 14.477 0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 941 3.113 16.195 0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 941 4.997 14.128 -0.785 1.00 0.00 H new ATOM 0 HD3 LYS A 941 3.731 14.907 -1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 941 5.472 16.349 -2.173 1.00 0.00 H new ATOM 0 HE3 LYS A 941 4.820 17.136 -0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 941 6.762 16.861 0.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 941 6.634 15.173 0.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 941 7.385 16.073 -1.121 1.00 0.00 H new ATOM 853 N MET A 942 1.480 16.059 2.377 1.00 0.00 N ATOM 854 CA MET A 942 0.467 17.104 2.286 1.00 0.00 C ATOM 855 C MET A 942 0.355 17.868 3.602 1.00 0.00 C ATOM 856 O MET A 942 0.225 19.092 3.612 1.00 0.00 O ATOM 857 CB MET A 942 -0.889 16.499 1.917 1.00 0.00 C ATOM 858 CG MET A 942 -1.672 15.986 3.114 1.00 0.00 C ATOM 859 SD MET A 942 -3.179 15.119 2.638 1.00 0.00 S ATOM 860 CE MET A 942 -2.871 13.497 3.333 1.00 0.00 C ATOM 0 H MET A 942 1.193 15.159 1.992 1.00 0.00 H new ATOM 0 HA MET A 942 0.770 17.802 1.505 1.00 0.00 H new ATOM 0 HB2 MET A 942 -1.484 17.251 1.399 1.00 0.00 H new ATOM 0 HB3 MET A 942 -0.733 15.678 1.217 1.00 0.00 H new ATOM 0 HG2 MET A 942 -1.040 15.315 3.696 1.00 0.00 H new ATOM 0 HG3 MET A 942 -1.929 16.824 3.762 1.00 0.00 H new ATOM 0 HE1 MET A 942 -2.683 12.786 2.528 1.00 0.00 H new ATOM 0 HE2 MET A 942 -2.001 13.541 3.989 1.00 0.00 H new ATOM 0 HE3 MET A 942 -3.741 13.175 3.905 1.00 0.00 H new ATOM 870 N LYS A 943 0.406 17.138 4.711 1.00 0.00 N ATOM 871 CA LYS A 943 0.310 17.746 6.033 1.00 0.00 C ATOM 872 C LYS A 943 1.685 18.180 6.532 1.00 0.00 C ATOM 873 O LYS A 943 1.988 18.070 7.721 1.00 0.00 O ATOM 874 CB LYS A 943 -0.318 16.764 7.024 1.00 0.00 C ATOM 875 CG LYS A 943 0.505 15.505 7.238 1.00 0.00 C ATOM 876 CD LYS A 943 0.290 14.928 8.627 1.00 0.00 C ATOM 877 CE LYS A 943 1.076 15.696 9.678 1.00 0.00 C ATOM 878 NZ LYS A 943 0.901 15.114 11.037 1.00 0.00 N ATOM 0 H LYS A 943 0.513 16.124 4.721 1.00 0.00 H new ATOM 0 HA LYS A 943 -0.325 18.629 5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 943 -0.455 17.266 7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 943 -1.309 16.484 6.666 1.00 0.00 H new ATOM 0 HG2 LYS A 943 0.235 14.761 6.488 1.00 0.00 H new ATOM 0 HG3 LYS A 943 1.562 15.732 7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 943 -0.772 14.955 8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 943 0.593 13.881 8.638 1.00 0.00 H new ATOM 0 HE2 LYS A 943 2.134 15.692 9.415 1.00 0.00 H new ATOM 0 HE3 LYS A 943 0.753 16.737 9.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 943 1.453 15.666 11.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 943 -0.105 15.141 11.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 943 1.233 14.128 11.038 1.00 0.00 H new ATOM 892 N LEU A 944 2.513 18.674 5.618 1.00 0.00 N ATOM 893 CA LEU A 944 3.855 19.126 5.966 1.00 0.00 C ATOM 894 C LEU A 944 4.146 20.492 5.352 1.00 0.00 C ATOM 895 O LEU A 944 3.495 20.903 4.393 1.00 0.00 O ATOM 896 CB LEU A 944 4.896 18.109 5.494 1.00 0.00 C ATOM 897 CG LEU A 944 4.766 16.699 6.071 1.00 0.00 C ATOM 898 CD1 LEU A 944 5.923 15.826 5.611 1.00 0.00 C ATOM 899 CD2 LEU A 944 4.704 16.748 7.591 1.00 0.00 C ATOM 0 H LEU A 944 2.278 18.772 4.630 1.00 0.00 H new ATOM 0 HA LEU A 944 3.911 19.217 7.051 1.00 0.00 H new ATOM 0 HB2 LEU A 944 4.842 18.042 4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 944 5.886 18.491 5.741 1.00 0.00 H new ATOM 0 HG LEU A 944 3.838 16.261 5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 944 5.814 14.826 6.031 1.00 0.00 H new ATOM 0 HD12 LEU A 944 5.922 15.764 4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 944 6.864 16.261 5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 944 4.612 15.736 7.984 1.00 0.00 H new ATOM 0 HD22 LEU A 944 5.615 17.206 7.978 1.00 0.00 H new ATOM 0 HD23 LEU A 944 3.841 17.338 7.901 1.00 0.00 H new ATOM 911 N ASN A 945 5.131 21.188 5.910 1.00 0.00 N ATOM 912 CA ASN A 945 5.510 22.507 5.416 1.00 0.00 C ATOM 913 C ASN A 945 4.388 23.516 5.642 1.00 0.00 C ATOM 914 O ASN A 945 3.997 24.242 4.728 1.00 0.00 O ATOM 915 CB ASN A 945 5.855 22.437 3.927 1.00 0.00 C ATOM 916 CG ASN A 945 6.879 21.361 3.621 1.00 0.00 C ATOM 917 OD1 ASN A 945 7.731 21.045 4.452 1.00 0.00 O ATOM 918 ND2 ASN A 945 6.800 20.792 2.424 1.00 0.00 N ATOM 0 H ASN A 945 5.681 20.861 6.704 1.00 0.00 H new ATOM 0 HA ASN A 945 6.388 22.837 5.971 1.00 0.00 H new ATOM 0 HB2 ASN A 945 4.947 22.244 3.355 1.00 0.00 H new ATOM 0 HB3 ASN A 945 6.239 23.403 3.600 1.00 0.00 H new ATOM 0 HD21 ASN A 945 7.462 20.062 2.162 1.00 0.00 H new ATOM 0 HD22 ASN A 945 6.077 21.085 1.767 1.00 0.00 H new ATOM 925 N LYS A 946 3.873 23.555 6.866 1.00 0.00 N ATOM 926 CA LYS A 946 2.797 24.475 7.215 1.00 0.00 C ATOM 927 C LYS A 946 1.937 24.794 5.996 1.00 0.00 C ATOM 928 O LYS A 946 1.622 25.954 5.733 1.00 0.00 O ATOM 929 CB LYS A 946 3.372 25.767 7.799 1.00 0.00 C ATOM 930 CG LYS A 946 4.458 26.392 6.940 1.00 0.00 C ATOM 931 CD LYS A 946 5.450 27.178 7.780 1.00 0.00 C ATOM 932 CE LYS A 946 6.633 26.318 8.197 1.00 0.00 C ATOM 933 NZ LYS A 946 7.217 26.767 9.491 1.00 0.00 N ATOM 0 H LYS A 946 4.184 22.960 7.634 1.00 0.00 H new ATOM 0 HA LYS A 946 2.169 23.993 7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 946 2.565 26.487 7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 946 3.778 25.559 8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 946 4.984 25.611 6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 946 4.004 27.051 6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 946 5.806 28.038 7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 946 4.950 27.565 8.668 1.00 0.00 H new ATOM 0 HE2 LYS A 946 6.314 25.279 8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 946 7.398 26.353 7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 946 8.020 26.155 9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 946 7.545 27.750 9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 946 6.494 26.710 10.237 1.00 0.00 H new ATOM 947 N ALA A 947 1.560 23.757 5.256 1.00 0.00 N ATOM 948 CA ALA A 947 0.734 23.927 4.067 1.00 0.00 C ATOM 949 C ALA A 947 -0.701 24.282 4.442 1.00 0.00 C ATOM 950 O ALA A 947 -1.326 23.605 5.258 1.00 0.00 O ATOM 951 CB ALA A 947 0.762 22.664 3.219 1.00 0.00 C ATOM 0 H ALA A 947 1.813 22.790 5.459 1.00 0.00 H new ATOM 0 HA ALA A 947 1.145 24.752 3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 947 0.141 22.806 2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 947 1.787 22.454 2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 947 0.378 21.826 3.801 1.00 0.00 H new ATOM 957 N SER A 948 -1.218 25.350 3.841 1.00 0.00 N ATOM 958 CA SER A 948 -2.578 25.798 4.116 1.00 0.00 C ATOM 959 C SER A 948 -3.526 24.610 4.242 1.00 0.00 C ATOM 960 O SER A 948 -3.417 23.632 3.503 1.00 0.00 O ATOM 961 CB SER A 948 -3.062 26.736 3.008 1.00 0.00 C ATOM 962 OG SER A 948 -2.597 28.058 3.220 1.00 0.00 O ATOM 0 H SER A 948 -0.715 25.920 3.161 1.00 0.00 H new ATOM 0 HA SER A 948 -2.572 26.338 5.063 1.00 0.00 H new ATOM 0 HB2 SER A 948 -2.711 26.374 2.042 1.00 0.00 H new ATOM 0 HB3 SER A 948 -4.151 26.731 2.973 1.00 0.00 H new ATOM 0 HG SER A 948 -2.918 28.637 2.498 1.00 0.00 H new ATOM 968 N GLY A 949 -4.459 24.702 5.185 1.00 0.00 N ATOM 969 CA GLY A 949 -5.414 23.629 5.392 1.00 0.00 C ATOM 970 C GLY A 949 -6.237 23.820 6.650 1.00 0.00 C ATOM 971 O GLY A 949 -5.811 24.472 7.604 1.00 0.00 O ATOM 0 H GLY A 949 -4.570 25.501 5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 949 -6.080 23.569 4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 949 -4.882 22.679 5.450 1.00 0.00 H new ATOM 975 N PRO A 950 -7.448 23.244 6.663 1.00 0.00 N ATOM 976 CA PRO A 950 -8.359 23.341 7.807 1.00 0.00 C ATOM 977 C PRO A 950 -7.862 22.550 9.012 1.00 0.00 C ATOM 978 O PRO A 950 -7.824 23.063 10.131 1.00 0.00 O ATOM 979 CB PRO A 950 -9.663 22.740 7.274 1.00 0.00 C ATOM 980 CG PRO A 950 -9.238 21.823 6.181 1.00 0.00 C ATOM 981 CD PRO A 950 -8.021 22.452 5.561 1.00 0.00 C ATOM 0 HA PRO A 950 -8.460 24.367 8.162 1.00 0.00 H new ATOM 0 HB2 PRO A 950 -10.200 22.202 8.056 1.00 0.00 H new ATOM 0 HB3 PRO A 950 -10.333 23.515 6.902 1.00 0.00 H new ATOM 0 HG2 PRO A 950 -9.009 20.831 6.571 1.00 0.00 H new ATOM 0 HG3 PRO A 950 -10.032 21.700 5.444 1.00 0.00 H new ATOM 0 HD2 PRO A 950 -7.320 21.700 5.200 1.00 0.00 H new ATOM 0 HD3 PRO A 950 -8.283 23.079 4.709 1.00 0.00 H new ATOM 989 N SER A 951 -7.481 21.298 8.777 1.00 0.00 N ATOM 990 CA SER A 951 -6.990 20.436 9.845 1.00 0.00 C ATOM 991 C SER A 951 -6.067 19.356 9.289 1.00 0.00 C ATOM 992 O SER A 951 -6.277 18.851 8.186 1.00 0.00 O ATOM 993 CB SER A 951 -8.161 19.789 10.587 1.00 0.00 C ATOM 994 OG SER A 951 -7.722 18.704 11.386 1.00 0.00 O ATOM 0 H SER A 951 -7.503 20.859 7.857 1.00 0.00 H new ATOM 0 HA SER A 951 -6.423 21.051 10.543 1.00 0.00 H new ATOM 0 HB2 SER A 951 -8.652 20.532 11.215 1.00 0.00 H new ATOM 0 HB3 SER A 951 -8.902 19.439 9.868 1.00 0.00 H new ATOM 0 HG SER A 951 -8.489 18.309 11.851 1.00 0.00 H new ATOM 1000 N SER A 952 -5.043 19.005 10.062 1.00 0.00 N ATOM 1001 CA SER A 952 -4.085 17.988 9.646 1.00 0.00 C ATOM 1002 C SER A 952 -3.934 16.914 10.719 1.00 0.00 C ATOM 1003 O SER A 952 -3.942 15.720 10.423 1.00 0.00 O ATOM 1004 CB SER A 952 -2.726 18.627 9.353 1.00 0.00 C ATOM 1005 OG SER A 952 -2.229 19.312 10.489 1.00 0.00 O ATOM 0 H SER A 952 -4.856 19.410 10.979 1.00 0.00 H new ATOM 0 HA SER A 952 -4.461 17.519 8.737 1.00 0.00 H new ATOM 0 HB2 SER A 952 -2.017 17.857 9.050 1.00 0.00 H new ATOM 0 HB3 SER A 952 -2.820 19.321 8.518 1.00 0.00 H new ATOM 0 HG SER A 952 -1.359 19.710 10.276 1.00 0.00 H new ATOM 1011 N GLY A 953 -3.795 17.348 11.968 1.00 0.00 N ATOM 1012 CA GLY A 953 -3.643 16.413 13.066 1.00 0.00 C ATOM 1013 C GLY A 953 -2.599 15.351 12.784 1.00 0.00 C ATOM 1014 O GLY A 953 -2.646 14.286 13.398 1.00 0.00 O ATOM 0 H GLY A 953 -3.785 18.331 12.239 1.00 0.00 H new ATOM 0 HA2 GLY A 953 -3.367 16.959 13.968 1.00 0.00 H new ATOM 0 HA3 GLY A 953 -4.601 15.932 13.265 1.00 0.00 H new TER 1018 GLY A 953 HETATM 1019 ZN ZN A1085 11.206 -7.497 2.531 1.00 0.00 ZN