USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 925 HIS HE2 : A 925 HIS NE2 : A1085 ZNZN :(H bumps) USER MOD Set 1.1: A 927 ASN : amide:sc= -1.72! C(o=-4.1!,f=-5.4!) USER MOD Set 1.2: A 931 HIS : no HD1:sc= -2.38 X(o=-4.1,f=-4.2!) USER MOD Set 2.1: A 919 ASN : amide:sc= -0.653 X(o=-0.65,f=-0.16) USER MOD Set 2.2: A 920 SER OG : rot 180:sc= 0 USER MOD Single : A 886 SER OG : rot 180:sc= 0 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 889 SER OG : rot 180:sc= 0 USER MOD Single : A 890 SER OG : rot 180:sc= 0 USER MOD Single : A 892 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 893 TYR OH : rot 180:sc= 0 USER MOD Single : A 894 CYS SG : rot 50:sc= -0.163 USER MOD Single : A 896 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 897 HIS : no HD1:sc= -3.82! C(o=-3.8!,f=-5.6!) USER MOD Single : A 901 THR OG1 : rot -102:sc= 0.0888 USER MOD Single : A 903 TYR OH : rot 180:sc= 0 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 -152:sc= -0.0309 (180deg=-0.222) USER MOD Single : A 912 ASN : amide:sc= -0.603 X(o=-0.6,f=-0.55) USER MOD Single : A 914 THR OG1 : rot 180:sc= 0 USER MOD Single : A 922 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 941 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 942 MET CE :methyl 156:sc= -0.0447 (180deg=-1.23) USER MOD Single : A 943 LYS NZ :NH3+ -151:sc= -0.221 (180deg=-0.918) USER MOD Single : A 945 ASN : amide:sc=-0.00875 K(o=-0.0088,f=-1.9!) USER MOD Single : A 946 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 948 SER OG : rot 28:sc= 0.235 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 -23.534 -7.942 -1.386 1.00 0.00 N ATOM 2 CA GLY A 885 -23.653 -8.337 -2.778 1.00 0.00 C ATOM 3 C GLY A 885 -22.401 -8.031 -3.576 1.00 0.00 C ATOM 4 O GLY A 885 -21.519 -8.879 -3.711 1.00 0.00 O ATOM 0 HA2 GLY A 885 -23.863 -9.405 -2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 885 -24.502 -7.822 -3.228 1.00 0.00 H new ATOM 8 N SER A 886 -22.324 -6.815 -4.109 1.00 0.00 N ATOM 9 CA SER A 886 -21.174 -6.400 -4.903 1.00 0.00 C ATOM 10 C SER A 886 -20.648 -5.048 -4.432 1.00 0.00 C ATOM 11 O SER A 886 -21.103 -3.999 -4.889 1.00 0.00 O ATOM 12 CB SER A 886 -21.550 -6.326 -6.384 1.00 0.00 C ATOM 13 OG SER A 886 -21.987 -7.587 -6.863 1.00 0.00 O ATOM 0 H SER A 886 -23.045 -6.101 -4.005 1.00 0.00 H new ATOM 0 HA SER A 886 -20.387 -7.142 -4.772 1.00 0.00 H new ATOM 0 HB2 SER A 886 -22.338 -5.587 -6.526 1.00 0.00 H new ATOM 0 HB3 SER A 886 -20.690 -5.991 -6.964 1.00 0.00 H new ATOM 0 HG SER A 886 -22.223 -7.513 -7.811 1.00 0.00 H new ATOM 19 N SER A 887 -19.686 -5.081 -3.515 1.00 0.00 N ATOM 20 CA SER A 887 -19.100 -3.858 -2.979 1.00 0.00 C ATOM 21 C SER A 887 -17.578 -3.959 -2.936 1.00 0.00 C ATOM 22 O SER A 887 -17.022 -4.879 -2.339 1.00 0.00 O ATOM 23 CB SER A 887 -19.643 -3.580 -1.576 1.00 0.00 C ATOM 24 OG SER A 887 -18.877 -2.584 -0.921 1.00 0.00 O ATOM 0 H SER A 887 -19.296 -5.941 -3.128 1.00 0.00 H new ATOM 0 HA SER A 887 -19.374 -3.034 -3.637 1.00 0.00 H new ATOM 0 HB2 SER A 887 -20.683 -3.259 -1.642 1.00 0.00 H new ATOM 0 HB3 SER A 887 -19.630 -4.498 -0.989 1.00 0.00 H new ATOM 0 HG SER A 887 -19.245 -2.423 -0.027 1.00 0.00 H new ATOM 30 N GLY A 888 -16.910 -3.003 -3.575 1.00 0.00 N ATOM 31 CA GLY A 888 -15.459 -3.002 -3.599 1.00 0.00 C ATOM 32 C GLY A 888 -14.898 -2.116 -4.694 1.00 0.00 C ATOM 33 O GLY A 888 -15.384 -1.006 -4.914 1.00 0.00 O ATOM 0 H GLY A 888 -17.348 -2.230 -4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 888 -15.083 -2.663 -2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 888 -15.100 -4.021 -3.741 1.00 0.00 H new ATOM 37 N SER A 889 -13.871 -2.605 -5.381 1.00 0.00 N ATOM 38 CA SER A 889 -13.239 -1.847 -6.455 1.00 0.00 C ATOM 39 C SER A 889 -13.991 -2.037 -7.769 1.00 0.00 C ATOM 40 O SER A 889 -13.582 -2.824 -8.623 1.00 0.00 O ATOM 41 CB SER A 889 -11.781 -2.278 -6.623 1.00 0.00 C ATOM 42 OG SER A 889 -11.067 -2.145 -5.405 1.00 0.00 O ATOM 0 H SER A 889 -13.459 -3.523 -5.213 1.00 0.00 H new ATOM 0 HA SER A 889 -13.270 -0.791 -6.187 1.00 0.00 H new ATOM 0 HB2 SER A 889 -11.741 -3.314 -6.961 1.00 0.00 H new ATOM 0 HB3 SER A 889 -11.306 -1.673 -7.395 1.00 0.00 H new ATOM 0 HG SER A 889 -10.138 -2.428 -5.538 1.00 0.00 H new ATOM 48 N SER A 890 -15.094 -1.311 -7.923 1.00 0.00 N ATOM 49 CA SER A 890 -15.906 -1.401 -9.130 1.00 0.00 C ATOM 50 C SER A 890 -15.771 -0.136 -9.972 1.00 0.00 C ATOM 51 O SER A 890 -16.695 0.249 -10.688 1.00 0.00 O ATOM 52 CB SER A 890 -17.374 -1.631 -8.766 1.00 0.00 C ATOM 53 OG SER A 890 -17.642 -3.009 -8.573 1.00 0.00 O ATOM 0 H SER A 890 -15.445 -0.654 -7.226 1.00 0.00 H new ATOM 0 HA SER A 890 -15.548 -2.247 -9.717 1.00 0.00 H new ATOM 0 HB2 SER A 890 -17.617 -1.079 -7.858 1.00 0.00 H new ATOM 0 HB3 SER A 890 -18.014 -1.240 -9.557 1.00 0.00 H new ATOM 0 HG SER A 890 -18.586 -3.129 -8.340 1.00 0.00 H new ATOM 59 N GLY A 891 -14.611 0.508 -9.880 1.00 0.00 N ATOM 60 CA GLY A 891 -14.375 1.723 -10.637 1.00 0.00 C ATOM 61 C GLY A 891 -13.074 2.401 -10.255 1.00 0.00 C ATOM 62 O GLY A 891 -12.024 2.106 -10.824 1.00 0.00 O ATOM 0 H GLY A 891 -13.831 0.210 -9.295 1.00 0.00 H new ATOM 0 HA2 GLY A 891 -14.359 1.487 -11.701 1.00 0.00 H new ATOM 0 HA3 GLY A 891 -15.202 2.414 -10.476 1.00 0.00 H new ATOM 66 N GLN A 892 -13.145 3.313 -9.290 1.00 0.00 N ATOM 67 CA GLN A 892 -11.963 4.035 -8.836 1.00 0.00 C ATOM 68 C GLN A 892 -11.399 3.411 -7.563 1.00 0.00 C ATOM 69 O GLN A 892 -12.051 2.587 -6.923 1.00 0.00 O ATOM 70 CB GLN A 892 -12.302 5.506 -8.589 1.00 0.00 C ATOM 71 CG GLN A 892 -13.313 5.719 -7.474 1.00 0.00 C ATOM 72 CD GLN A 892 -13.301 7.137 -6.938 1.00 0.00 C ATOM 73 OE1 GLN A 892 -12.301 7.595 -6.385 1.00 0.00 O ATOM 74 NE2 GLN A 892 -14.415 7.841 -7.100 1.00 0.00 N ATOM 0 H GLN A 892 -14.007 3.569 -8.809 1.00 0.00 H new ATOM 0 HA GLN A 892 -11.206 3.970 -9.617 1.00 0.00 H new ATOM 0 HB2 GLN A 892 -11.386 6.045 -8.346 1.00 0.00 H new ATOM 0 HB3 GLN A 892 -12.692 5.940 -9.510 1.00 0.00 H new ATOM 0 HG2 GLN A 892 -14.311 5.483 -7.844 1.00 0.00 H new ATOM 0 HG3 GLN A 892 -13.102 5.025 -6.660 1.00 0.00 H new ATOM 0 HE21 GLN A 892 -15.220 7.421 -7.564 1.00 0.00 H new ATOM 0 HE22 GLN A 892 -14.465 8.801 -6.760 1.00 0.00 H new ATOM 83 N TYR A 893 -10.184 3.810 -7.203 1.00 0.00 N ATOM 84 CA TYR A 893 -9.532 3.288 -6.008 1.00 0.00 C ATOM 85 C TYR A 893 -9.337 1.778 -6.110 1.00 0.00 C ATOM 86 O TYR A 893 -9.768 1.024 -5.237 1.00 0.00 O ATOM 87 CB TYR A 893 -10.355 3.624 -4.764 1.00 0.00 C ATOM 88 CG TYR A 893 -9.851 2.954 -3.505 1.00 0.00 C ATOM 89 CD1 TYR A 893 -8.496 2.704 -3.323 1.00 0.00 C ATOM 90 CD2 TYR A 893 -10.729 2.570 -2.499 1.00 0.00 C ATOM 91 CE1 TYR A 893 -8.031 2.091 -2.175 1.00 0.00 C ATOM 92 CE2 TYR A 893 -10.272 1.959 -1.348 1.00 0.00 C ATOM 93 CZ TYR A 893 -8.923 1.721 -1.190 1.00 0.00 C ATOM 94 OH TYR A 893 -8.465 1.111 -0.045 1.00 0.00 O ATOM 0 H TYR A 893 -9.631 4.493 -7.721 1.00 0.00 H new ATOM 0 HA TYR A 893 -8.552 3.758 -5.925 1.00 0.00 H new ATOM 0 HB2 TYR A 893 -10.351 4.704 -4.617 1.00 0.00 H new ATOM 0 HB3 TYR A 893 -11.391 3.329 -4.933 1.00 0.00 H new ATOM 0 HD1 TYR A 893 -7.795 2.994 -4.092 1.00 0.00 H new ATOM 0 HD2 TYR A 893 -11.787 2.752 -2.619 1.00 0.00 H new ATOM 0 HE1 TYR A 893 -6.975 1.903 -2.050 1.00 0.00 H new ATOM 0 HE2 TYR A 893 -10.968 1.669 -0.575 1.00 0.00 H new ATOM 0 HH TYR A 893 -9.221 0.916 0.547 1.00 0.00 H new ATOM 104 N CYS A 894 -8.683 1.343 -7.182 1.00 0.00 N ATOM 105 CA CYS A 894 -8.429 -0.076 -7.401 1.00 0.00 C ATOM 106 C CYS A 894 -6.978 -0.424 -7.082 1.00 0.00 C ATOM 107 O CYS A 894 -6.390 -1.307 -7.705 1.00 0.00 O ATOM 108 CB CYS A 894 -8.750 -0.456 -8.848 1.00 0.00 C ATOM 109 SG CYS A 894 -7.553 0.177 -10.066 1.00 0.00 S ATOM 0 H CYS A 894 -8.319 1.954 -7.913 1.00 0.00 H new ATOM 0 HA CYS A 894 -9.076 -0.643 -6.732 1.00 0.00 H new ATOM 0 HB2 CYS A 894 -8.792 -1.542 -8.926 1.00 0.00 H new ATOM 0 HB3 CYS A 894 -9.742 -0.080 -9.100 1.00 0.00 H new ATOM 0 HG CYS A 894 -6.346 -0.113 -9.680 1.00 0.00 H new ATOM 114 N TRP A 895 -6.408 0.276 -6.108 1.00 0.00 N ATOM 115 CA TRP A 895 -5.026 0.041 -5.706 1.00 0.00 C ATOM 116 C TRP A 895 -4.925 -0.167 -4.199 1.00 0.00 C ATOM 117 O TRP A 895 -4.858 0.796 -3.434 1.00 0.00 O ATOM 118 CB TRP A 895 -4.143 1.215 -6.131 1.00 0.00 C ATOM 119 CG TRP A 895 -4.581 2.527 -5.556 1.00 0.00 C ATOM 120 CD1 TRP A 895 -5.795 3.131 -5.722 1.00 0.00 C ATOM 121 CD2 TRP A 895 -3.808 3.399 -4.724 1.00 0.00 C ATOM 122 NE1 TRP A 895 -5.823 4.325 -5.043 1.00 0.00 N ATOM 123 CE2 TRP A 895 -4.617 4.512 -4.422 1.00 0.00 C ATOM 124 CE3 TRP A 895 -2.513 3.347 -4.202 1.00 0.00 C ATOM 125 CZ2 TRP A 895 -4.170 5.562 -3.624 1.00 0.00 C ATOM 126 CZ3 TRP A 895 -2.071 4.390 -3.411 1.00 0.00 C ATOM 127 CH2 TRP A 895 -2.898 5.485 -3.127 1.00 0.00 C ATOM 0 H TRP A 895 -6.881 1.011 -5.582 1.00 0.00 H new ATOM 0 HA TRP A 895 -4.679 -0.865 -6.203 1.00 0.00 H new ATOM 0 HB2 TRP A 895 -3.116 1.017 -5.825 1.00 0.00 H new ATOM 0 HB3 TRP A 895 -4.143 1.285 -7.219 1.00 0.00 H new ATOM 0 HD1 TRP A 895 -6.613 2.729 -6.302 1.00 0.00 H new ATOM 0 HE1 TRP A 895 -6.614 4.968 -5.007 1.00 0.00 H new ATOM 0 HE3 TRP A 895 -1.869 2.506 -4.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 895 -4.805 6.407 -3.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 895 -1.071 4.361 -3.005 1.00 0.00 H new ATOM 0 HH2 TRP A 895 -2.524 6.284 -2.504 1.00 0.00 H new ATOM 138 N GLN A 896 -4.916 -1.428 -3.778 1.00 0.00 N ATOM 139 CA GLN A 896 -4.824 -1.760 -2.362 1.00 0.00 C ATOM 140 C GLN A 896 -3.515 -2.480 -2.055 1.00 0.00 C ATOM 141 O GLN A 896 -3.255 -3.566 -2.574 1.00 0.00 O ATOM 142 CB GLN A 896 -6.009 -2.631 -1.942 1.00 0.00 C ATOM 143 CG GLN A 896 -6.237 -3.827 -2.853 1.00 0.00 C ATOM 144 CD GLN A 896 -7.316 -4.758 -2.334 1.00 0.00 C ATOM 145 OE1 GLN A 896 -8.167 -4.359 -1.539 1.00 0.00 O ATOM 146 NE2 GLN A 896 -7.286 -6.007 -2.784 1.00 0.00 N ATOM 0 H GLN A 896 -4.971 -2.236 -4.398 1.00 0.00 H new ATOM 0 HA GLN A 896 -4.847 -0.829 -1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 896 -5.846 -2.986 -0.924 1.00 0.00 H new ATOM 0 HB3 GLN A 896 -6.911 -2.020 -1.926 1.00 0.00 H new ATOM 0 HG2 GLN A 896 -6.513 -3.475 -3.847 1.00 0.00 H new ATOM 0 HG3 GLN A 896 -5.304 -4.381 -2.959 1.00 0.00 H new ATOM 0 HE21 GLN A 896 -6.562 -6.295 -3.443 1.00 0.00 H new ATOM 0 HE22 GLN A 896 -7.987 -6.679 -2.471 1.00 0.00 H new ATOM 155 N HIS A 897 -2.692 -1.867 -1.209 1.00 0.00 N ATOM 156 CA HIS A 897 -1.409 -2.450 -0.833 1.00 0.00 C ATOM 157 C HIS A 897 -0.891 -1.834 0.463 1.00 0.00 C ATOM 158 O HIS A 897 -1.350 -0.772 0.883 1.00 0.00 O ATOM 159 CB HIS A 897 -0.386 -2.249 -1.952 1.00 0.00 C ATOM 160 CG HIS A 897 -0.733 -2.971 -3.217 1.00 0.00 C ATOM 161 ND1 HIS A 897 -1.565 -2.443 -4.182 1.00 0.00 N ATOM 162 CD2 HIS A 897 -0.353 -4.187 -3.675 1.00 0.00 C ATOM 163 CE1 HIS A 897 -1.683 -3.303 -5.177 1.00 0.00 C ATOM 164 NE2 HIS A 897 -0.957 -4.370 -4.895 1.00 0.00 N ATOM 0 H HIS A 897 -2.891 -0.967 -0.771 1.00 0.00 H new ATOM 0 HA HIS A 897 -1.556 -3.518 -0.673 1.00 0.00 H new ATOM 0 HB2 HIS A 897 -0.297 -1.184 -2.164 1.00 0.00 H new ATOM 0 HB3 HIS A 897 0.590 -2.588 -1.606 1.00 0.00 H new ATOM 0 HD2 HIS A 897 0.303 -4.884 -3.174 1.00 0.00 H new ATOM 0 HE1 HIS A 897 -2.273 -3.159 -6.070 1.00 0.00 H new ATOM 0 HE2 HIS A 897 -0.861 -5.195 -5.487 1.00 0.00 H new ATOM 172 N ARG A 898 0.066 -2.508 1.092 1.00 0.00 N ATOM 173 CA ARG A 898 0.645 -2.027 2.341 1.00 0.00 C ATOM 174 C ARG A 898 1.127 -0.587 2.198 1.00 0.00 C ATOM 175 O ARG A 898 1.308 -0.089 1.086 1.00 0.00 O ATOM 176 CB ARG A 898 1.807 -2.926 2.768 1.00 0.00 C ATOM 177 CG ARG A 898 1.380 -4.109 3.621 1.00 0.00 C ATOM 178 CD ARG A 898 0.872 -5.258 2.764 1.00 0.00 C ATOM 179 NE ARG A 898 -0.548 -5.121 2.451 1.00 0.00 N ATOM 180 CZ ARG A 898 -1.184 -5.889 1.573 1.00 0.00 C ATOM 181 NH1 ARG A 898 -0.530 -6.844 0.926 1.00 0.00 N ATOM 182 NH2 ARG A 898 -2.477 -5.703 1.342 1.00 0.00 N ATOM 0 H ARG A 898 0.457 -3.389 0.757 1.00 0.00 H new ATOM 0 HA ARG A 898 -0.130 -2.057 3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 898 2.315 -3.296 1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 898 2.531 -2.330 3.324 1.00 0.00 H new ATOM 0 HG2 ARG A 898 2.223 -4.448 4.223 1.00 0.00 H new ATOM 0 HG3 ARG A 898 0.598 -3.797 4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 898 1.445 -5.300 1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 898 1.039 -6.201 3.285 1.00 0.00 H new ATOM 0 HE ARG A 898 -1.080 -4.396 2.933 1.00 0.00 H new ATOM 0 HH11 ARG A 898 0.464 -6.991 1.102 1.00 0.00 H new ATOM 0 HH12 ARG A 898 -1.021 -7.432 0.253 1.00 0.00 H new ATOM 0 HH21 ARG A 898 -2.984 -4.970 1.839 1.00 0.00 H new ATOM 0 HH22 ARG A 898 -2.965 -6.293 0.668 1.00 0.00 H new ATOM 196 N PHE A 899 1.333 0.078 3.330 1.00 0.00 N ATOM 197 CA PHE A 899 1.793 1.462 3.331 1.00 0.00 C ATOM 198 C PHE A 899 3.316 1.528 3.394 1.00 0.00 C ATOM 199 O PHE A 899 3.968 0.761 4.104 1.00 0.00 O ATOM 200 CB PHE A 899 1.189 2.221 4.513 1.00 0.00 C ATOM 201 CG PHE A 899 1.482 3.694 4.493 1.00 0.00 C ATOM 202 CD1 PHE A 899 2.782 4.157 4.628 1.00 0.00 C ATOM 203 CD2 PHE A 899 0.459 4.616 4.340 1.00 0.00 C ATOM 204 CE1 PHE A 899 3.056 5.511 4.609 1.00 0.00 C ATOM 205 CE2 PHE A 899 0.728 5.972 4.320 1.00 0.00 C ATOM 206 CZ PHE A 899 2.027 6.420 4.456 1.00 0.00 C ATOM 0 H PHE A 899 1.189 -0.319 4.258 1.00 0.00 H new ATOM 0 HA PHE A 899 1.465 1.929 2.403 1.00 0.00 H new ATOM 0 HB2 PHE A 899 0.109 2.074 4.515 1.00 0.00 H new ATOM 0 HB3 PHE A 899 1.571 1.795 5.441 1.00 0.00 H new ATOM 0 HD1 PHE A 899 3.590 3.451 4.749 1.00 0.00 H new ATOM 0 HD2 PHE A 899 -0.559 4.272 4.235 1.00 0.00 H new ATOM 0 HE1 PHE A 899 4.073 5.858 4.714 1.00 0.00 H new ATOM 0 HE2 PHE A 899 -0.078 6.681 4.198 1.00 0.00 H new ATOM 0 HZ PHE A 899 2.238 7.479 4.443 1.00 0.00 H new ATOM 216 N PRO A 900 3.899 2.468 2.635 1.00 0.00 N ATOM 217 CA PRO A 900 5.352 2.658 2.587 1.00 0.00 C ATOM 218 C PRO A 900 5.905 3.228 3.889 1.00 0.00 C ATOM 219 O PRO A 900 5.950 4.444 4.077 1.00 0.00 O ATOM 220 CB PRO A 900 5.541 3.657 1.443 1.00 0.00 C ATOM 221 CG PRO A 900 4.252 4.401 1.372 1.00 0.00 C ATOM 222 CD PRO A 900 3.185 3.417 1.765 1.00 0.00 C ATOM 0 HA PRO A 900 5.882 1.717 2.441 1.00 0.00 H new ATOM 0 HB2 PRO A 900 6.376 4.330 1.639 1.00 0.00 H new ATOM 0 HB3 PRO A 900 5.756 3.147 0.504 1.00 0.00 H new ATOM 0 HG2 PRO A 900 4.259 5.259 2.044 1.00 0.00 H new ATOM 0 HG3 PRO A 900 4.078 4.785 0.367 1.00 0.00 H new ATOM 0 HD2 PRO A 900 2.363 3.904 2.291 1.00 0.00 H new ATOM 0 HD3 PRO A 900 2.757 2.920 0.895 1.00 0.00 H new ATOM 230 N THR A 901 6.327 2.342 4.785 1.00 0.00 N ATOM 231 CA THR A 901 6.877 2.756 6.070 1.00 0.00 C ATOM 232 C THR A 901 7.575 4.107 5.959 1.00 0.00 C ATOM 233 O THR A 901 7.389 4.984 6.801 1.00 0.00 O ATOM 234 CB THR A 901 7.875 1.718 6.615 1.00 0.00 C ATOM 235 OG1 THR A 901 8.960 1.551 5.695 1.00 0.00 O ATOM 236 CG2 THR A 901 7.191 0.380 6.849 1.00 0.00 C ATOM 0 H THR A 901 6.298 1.332 4.644 1.00 0.00 H new ATOM 0 HA THR A 901 6.038 2.839 6.761 1.00 0.00 H new ATOM 0 HB THR A 901 8.260 2.082 7.567 1.00 0.00 H new ATOM 0 HG1 THR A 901 8.829 0.727 5.181 1.00 0.00 H new ATOM 0 HG21 THR A 901 7.916 -0.337 7.234 1.00 0.00 H new ATOM 0 HG22 THR A 901 6.385 0.505 7.572 1.00 0.00 H new ATOM 0 HG23 THR A 901 6.781 0.012 5.909 1.00 0.00 H new ATOM 244 N GLY A 902 8.380 4.268 4.913 1.00 0.00 N ATOM 245 CA GLY A 902 9.093 5.515 4.710 1.00 0.00 C ATOM 246 C GLY A 902 10.188 5.394 3.669 1.00 0.00 C ATOM 247 O GLY A 902 10.562 6.381 3.034 1.00 0.00 O ATOM 0 H GLY A 902 8.551 3.556 4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 902 8.388 6.287 4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 902 9.529 5.839 5.655 1.00 0.00 H new ATOM 251 N TYR A 903 10.706 4.184 3.495 1.00 0.00 N ATOM 252 CA TYR A 903 11.768 3.938 2.526 1.00 0.00 C ATOM 253 C TYR A 903 11.215 3.920 1.105 1.00 0.00 C ATOM 254 O TYR A 903 10.117 3.419 0.860 1.00 0.00 O ATOM 255 CB TYR A 903 12.468 2.613 2.831 1.00 0.00 C ATOM 256 CG TYR A 903 13.190 2.601 4.159 1.00 0.00 C ATOM 257 CD1 TYR A 903 12.484 2.547 5.355 1.00 0.00 C ATOM 258 CD2 TYR A 903 14.577 2.641 4.219 1.00 0.00 C ATOM 259 CE1 TYR A 903 13.139 2.537 6.571 1.00 0.00 C ATOM 260 CE2 TYR A 903 15.241 2.629 5.430 1.00 0.00 C ATOM 261 CZ TYR A 903 14.518 2.577 6.604 1.00 0.00 C ATOM 262 OH TYR A 903 15.174 2.565 7.813 1.00 0.00 O ATOM 0 H TYR A 903 10.408 3.357 4.012 1.00 0.00 H new ATOM 0 HA TYR A 903 12.492 4.749 2.604 1.00 0.00 H new ATOM 0 HB2 TYR A 903 11.730 1.811 2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 903 13.183 2.398 2.037 1.00 0.00 H new ATOM 0 HD1 TYR A 903 11.405 2.512 5.333 1.00 0.00 H new ATOM 0 HD2 TYR A 903 15.147 2.682 3.302 1.00 0.00 H new ATOM 0 HE1 TYR A 903 12.575 2.498 7.491 1.00 0.00 H new ATOM 0 HE2 TYR A 903 16.320 2.660 5.458 1.00 0.00 H new ATOM 0 HH TYR A 903 16.142 2.597 7.661 1.00 0.00 H new ATOM 272 N PHE A 904 11.984 4.468 0.170 1.00 0.00 N ATOM 273 CA PHE A 904 11.573 4.515 -1.228 1.00 0.00 C ATOM 274 C PHE A 904 12.412 3.562 -2.074 1.00 0.00 C ATOM 275 O PHE A 904 12.866 3.917 -3.162 1.00 0.00 O ATOM 276 CB PHE A 904 11.697 5.941 -1.770 1.00 0.00 C ATOM 277 CG PHE A 904 11.411 6.050 -3.241 1.00 0.00 C ATOM 278 CD1 PHE A 904 10.320 5.403 -3.798 1.00 0.00 C ATOM 279 CD2 PHE A 904 12.234 6.800 -4.066 1.00 0.00 C ATOM 280 CE1 PHE A 904 10.053 5.501 -5.150 1.00 0.00 C ATOM 281 CE2 PHE A 904 11.972 6.902 -5.419 1.00 0.00 C ATOM 282 CZ PHE A 904 10.881 6.251 -5.962 1.00 0.00 C ATOM 0 H PHE A 904 12.896 4.886 0.355 1.00 0.00 H new ATOM 0 HA PHE A 904 10.531 4.201 -1.285 1.00 0.00 H new ATOM 0 HB2 PHE A 904 11.010 6.589 -1.225 1.00 0.00 H new ATOM 0 HB3 PHE A 904 12.704 6.309 -1.576 1.00 0.00 H new ATOM 0 HD1 PHE A 904 9.670 4.815 -3.167 1.00 0.00 H new ATOM 0 HD2 PHE A 904 13.089 7.310 -3.647 1.00 0.00 H new ATOM 0 HE1 PHE A 904 9.199 4.992 -5.571 1.00 0.00 H new ATOM 0 HE2 PHE A 904 12.620 7.490 -6.052 1.00 0.00 H new ATOM 0 HZ PHE A 904 10.676 6.328 -7.020 1.00 0.00 H new ATOM 292 N SER A 905 12.613 2.351 -1.566 1.00 0.00 N ATOM 293 CA SER A 905 13.401 1.347 -2.272 1.00 0.00 C ATOM 294 C SER A 905 12.784 -0.039 -2.112 1.00 0.00 C ATOM 295 O SER A 905 12.065 -0.302 -1.148 1.00 0.00 O ATOM 296 CB SER A 905 14.840 1.341 -1.754 1.00 0.00 C ATOM 297 OG SER A 905 15.647 2.255 -2.477 1.00 0.00 O ATOM 0 H SER A 905 12.241 2.041 -0.668 1.00 0.00 H new ATOM 0 HA SER A 905 13.405 1.603 -3.332 1.00 0.00 H new ATOM 0 HB2 SER A 905 14.850 1.601 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 905 15.256 0.337 -1.839 1.00 0.00 H new ATOM 0 HG SER A 905 16.561 2.233 -2.125 1.00 0.00 H new ATOM 303 N ILE A 906 13.072 -0.921 -3.063 1.00 0.00 N ATOM 304 CA ILE A 906 12.547 -2.281 -3.027 1.00 0.00 C ATOM 305 C ILE A 906 13.421 -3.185 -2.165 1.00 0.00 C ATOM 306 O ILE A 906 14.640 -3.017 -2.107 1.00 0.00 O ATOM 307 CB ILE A 906 12.444 -2.882 -4.441 1.00 0.00 C ATOM 308 CG1 ILE A 906 11.191 -2.364 -5.149 1.00 0.00 C ATOM 309 CG2 ILE A 906 12.430 -4.402 -4.371 1.00 0.00 C ATOM 310 CD1 ILE A 906 10.843 -3.135 -6.403 1.00 0.00 C ATOM 0 H ILE A 906 13.666 -0.719 -3.867 1.00 0.00 H new ATOM 0 HA ILE A 906 11.549 -2.223 -2.592 1.00 0.00 H new ATOM 0 HB ILE A 906 13.317 -2.573 -5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 906 10.349 -2.409 -4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 906 11.336 -1.315 -5.406 1.00 0.00 H new ATOM 0 HG21 ILE A 906 12.357 -4.812 -5.378 1.00 0.00 H new ATOM 0 HG22 ILE A 906 13.349 -4.753 -3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 906 11.574 -4.731 -3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 906 9.944 -2.713 -6.852 1.00 0.00 H new ATOM 0 HD12 ILE A 906 11.668 -3.069 -7.112 1.00 0.00 H new ATOM 0 HD13 ILE A 906 10.665 -4.180 -6.150 1.00 0.00 H new ATOM 322 N CYS A 907 12.792 -4.146 -1.497 1.00 0.00 N ATOM 323 CA CYS A 907 13.511 -5.079 -0.638 1.00 0.00 C ATOM 324 C CYS A 907 14.396 -6.007 -1.465 1.00 0.00 C ATOM 325 O CYS A 907 14.002 -6.465 -2.538 1.00 0.00 O ATOM 326 CB CYS A 907 12.526 -5.902 0.194 1.00 0.00 C ATOM 327 SG CYS A 907 13.264 -6.679 1.667 1.00 0.00 S ATOM 0 H CYS A 907 11.784 -4.299 -1.534 1.00 0.00 H new ATOM 0 HA CYS A 907 14.147 -4.501 0.032 1.00 0.00 H new ATOM 0 HB2 CYS A 907 11.706 -5.257 0.509 1.00 0.00 H new ATOM 0 HB3 CYS A 907 12.096 -6.680 -0.437 1.00 0.00 H new ATOM 332 N ASP A 908 15.593 -6.281 -0.958 1.00 0.00 N ATOM 333 CA ASP A 908 16.534 -7.156 -1.648 1.00 0.00 C ATOM 334 C ASP A 908 16.212 -8.622 -1.376 1.00 0.00 C ATOM 335 O ASP A 908 16.463 -9.489 -2.213 1.00 0.00 O ATOM 336 CB ASP A 908 17.966 -6.846 -1.210 1.00 0.00 C ATOM 337 CG ASP A 908 18.620 -5.788 -2.077 1.00 0.00 C ATOM 338 OD1 ASP A 908 18.113 -4.647 -2.104 1.00 0.00 O ATOM 339 OD2 ASP A 908 19.638 -6.101 -2.730 1.00 0.00 O ATOM 0 H ASP A 908 15.935 -5.910 -0.072 1.00 0.00 H new ATOM 0 HA ASP A 908 16.442 -6.975 -2.719 1.00 0.00 H new ATOM 0 HB2 ASP A 908 17.961 -6.510 -0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 908 18.560 -7.759 -1.246 1.00 0.00 H new ATOM 344 N ARG A 909 15.655 -8.892 -0.200 1.00 0.00 N ATOM 345 CA ARG A 909 15.301 -10.254 0.183 1.00 0.00 C ATOM 346 C ARG A 909 14.104 -10.751 -0.622 1.00 0.00 C ATOM 347 O ARG A 909 14.066 -11.906 -1.047 1.00 0.00 O ATOM 348 CB ARG A 909 14.987 -10.320 1.679 1.00 0.00 C ATOM 349 CG ARG A 909 16.019 -9.622 2.550 1.00 0.00 C ATOM 350 CD ARG A 909 17.348 -10.359 2.537 1.00 0.00 C ATOM 351 NE ARG A 909 18.480 -9.450 2.695 1.00 0.00 N ATOM 352 CZ ARG A 909 18.797 -8.862 3.843 1.00 0.00 C ATOM 353 NH1 ARG A 909 18.070 -9.088 4.929 1.00 0.00 N ATOM 354 NH2 ARG A 909 19.841 -8.047 3.907 1.00 0.00 N ATOM 0 H ARG A 909 15.439 -8.186 0.504 1.00 0.00 H new ATOM 0 HA ARG A 909 16.153 -10.899 -0.031 1.00 0.00 H new ATOM 0 HB2 ARG A 909 14.010 -9.870 1.857 1.00 0.00 H new ATOM 0 HB3 ARG A 909 14.916 -11.365 1.981 1.00 0.00 H new ATOM 0 HG2 ARG A 909 16.164 -8.601 2.197 1.00 0.00 H new ATOM 0 HG3 ARG A 909 15.648 -9.556 3.573 1.00 0.00 H new ATOM 0 HD2 ARG A 909 17.361 -11.097 3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 909 17.450 -10.906 1.599 1.00 0.00 H new ATOM 0 HE ARG A 909 19.059 -9.256 1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 909 17.266 -9.714 4.883 1.00 0.00 H new ATOM 0 HH12 ARG A 909 18.315 -8.636 5.810 1.00 0.00 H new ATOM 0 HH21 ARG A 909 20.402 -7.871 3.074 1.00 0.00 H new ATOM 0 HH22 ARG A 909 20.083 -7.596 4.790 1.00 0.00 H new ATOM 368 N TYR A 910 13.129 -9.872 -0.826 1.00 0.00 N ATOM 369 CA TYR A 910 11.930 -10.223 -1.577 1.00 0.00 C ATOM 370 C TYR A 910 12.234 -10.334 -3.068 1.00 0.00 C ATOM 371 O TYR A 910 11.804 -11.277 -3.732 1.00 0.00 O ATOM 372 CB TYR A 910 10.835 -9.181 -1.345 1.00 0.00 C ATOM 373 CG TYR A 910 9.573 -9.442 -2.136 1.00 0.00 C ATOM 374 CD1 TYR A 910 8.636 -10.371 -1.700 1.00 0.00 C ATOM 375 CD2 TYR A 910 9.317 -8.760 -3.319 1.00 0.00 C ATOM 376 CE1 TYR A 910 7.482 -10.614 -2.420 1.00 0.00 C ATOM 377 CE2 TYR A 910 8.165 -8.995 -4.045 1.00 0.00 C ATOM 378 CZ TYR A 910 7.251 -9.923 -3.591 1.00 0.00 C ATOM 379 OH TYR A 910 6.103 -10.161 -4.312 1.00 0.00 O ATOM 0 H TYR A 910 13.146 -8.912 -0.482 1.00 0.00 H new ATOM 0 HA TYR A 910 11.581 -11.193 -1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 910 10.589 -9.155 -0.283 1.00 0.00 H new ATOM 0 HB3 TYR A 910 11.221 -8.196 -1.607 1.00 0.00 H new ATOM 0 HD1 TYR A 910 8.813 -10.912 -0.782 1.00 0.00 H new ATOM 0 HD2 TYR A 910 10.031 -8.033 -3.678 1.00 0.00 H new ATOM 0 HE1 TYR A 910 6.765 -11.341 -2.068 1.00 0.00 H new ATOM 0 HE2 TYR A 910 7.981 -8.455 -4.962 1.00 0.00 H new ATOM 0 HH TYR A 910 6.094 -9.591 -5.109 1.00 0.00 H new ATOM 389 N MET A 911 12.978 -9.363 -3.588 1.00 0.00 N ATOM 390 CA MET A 911 13.342 -9.352 -5.000 1.00 0.00 C ATOM 391 C MET A 911 14.146 -10.595 -5.364 1.00 0.00 C ATOM 392 O MET A 911 13.924 -11.205 -6.409 1.00 0.00 O ATOM 393 CB MET A 911 14.148 -8.094 -5.331 1.00 0.00 C ATOM 394 CG MET A 911 13.288 -6.919 -5.769 1.00 0.00 C ATOM 395 SD MET A 911 12.531 -7.178 -7.385 1.00 0.00 S ATOM 396 CE MET A 911 10.808 -7.352 -6.928 1.00 0.00 C ATOM 0 H MET A 911 13.340 -8.574 -3.053 1.00 0.00 H new ATOM 0 HA MET A 911 12.423 -9.351 -5.586 1.00 0.00 H new ATOM 0 HB2 MET A 911 14.728 -7.803 -4.455 1.00 0.00 H new ATOM 0 HB3 MET A 911 14.861 -8.327 -6.122 1.00 0.00 H new ATOM 0 HG2 MET A 911 12.506 -6.750 -5.029 1.00 0.00 H new ATOM 0 HG3 MET A 911 13.899 -6.017 -5.799 1.00 0.00 H new ATOM 0 HE1 MET A 911 10.299 -7.979 -7.660 1.00 0.00 H new ATOM 0 HE2 MET A 911 10.738 -7.813 -5.943 1.00 0.00 H new ATOM 0 HE3 MET A 911 10.337 -6.369 -6.903 1.00 0.00 H new ATOM 406 N ASN A 912 15.081 -10.966 -4.495 1.00 0.00 N ATOM 407 CA ASN A 912 15.919 -12.137 -4.726 1.00 0.00 C ATOM 408 C ASN A 912 15.066 -13.390 -4.902 1.00 0.00 C ATOM 409 O ASN A 912 15.332 -14.217 -5.773 1.00 0.00 O ATOM 410 CB ASN A 912 16.894 -12.330 -3.564 1.00 0.00 C ATOM 411 CG ASN A 912 18.205 -11.599 -3.781 1.00 0.00 C ATOM 412 OD1 ASN A 912 19.277 -12.204 -3.756 1.00 0.00 O ATOM 413 ND2 ASN A 912 18.124 -10.291 -3.996 1.00 0.00 N ATOM 0 H ASN A 912 15.277 -10.472 -3.624 1.00 0.00 H new ATOM 0 HA ASN A 912 16.485 -11.972 -5.643 1.00 0.00 H new ATOM 0 HB2 ASN A 912 16.432 -11.975 -2.643 1.00 0.00 H new ATOM 0 HB3 ASN A 912 17.092 -13.394 -3.432 1.00 0.00 H new ATOM 0 HD21 ASN A 912 18.972 -9.746 -4.149 1.00 0.00 H new ATOM 0 HD22 ASN A 912 17.213 -9.832 -4.008 1.00 0.00 H new ATOM 420 N GLY A 913 14.038 -13.522 -4.069 1.00 0.00 N ATOM 421 CA GLY A 913 13.162 -14.676 -4.149 1.00 0.00 C ATOM 422 C GLY A 913 12.327 -14.857 -2.897 1.00 0.00 C ATOM 423 O GLY A 913 11.101 -14.955 -2.967 1.00 0.00 O ATOM 0 H GLY A 913 13.796 -12.850 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 913 12.502 -14.569 -5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 913 13.760 -15.572 -4.316 1.00 0.00 H new ATOM 427 N THR A 914 12.990 -14.905 -1.746 1.00 0.00 N ATOM 428 CA THR A 914 12.302 -15.079 -0.473 1.00 0.00 C ATOM 429 C THR A 914 12.804 -14.081 0.564 1.00 0.00 C ATOM 430 O THR A 914 14.010 -13.898 0.732 1.00 0.00 O ATOM 431 CB THR A 914 12.485 -16.507 0.073 1.00 0.00 C ATOM 432 OG1 THR A 914 11.659 -16.700 1.227 1.00 0.00 O ATOM 433 CG2 THR A 914 13.940 -16.765 0.437 1.00 0.00 C ATOM 0 H THR A 914 14.004 -14.826 -1.669 1.00 0.00 H new ATOM 0 HA THR A 914 11.243 -14.903 -0.659 1.00 0.00 H new ATOM 0 HB THR A 914 12.191 -17.210 -0.706 1.00 0.00 H new ATOM 0 HG1 THR A 914 11.780 -17.611 1.567 1.00 0.00 H new ATOM 0 HG21 THR A 914 14.045 -17.780 0.820 1.00 0.00 H new ATOM 0 HG22 THR A 914 14.563 -16.646 -0.449 1.00 0.00 H new ATOM 0 HG23 THR A 914 14.255 -16.054 1.201 1.00 0.00 H new ATOM 441 N CYS A 915 11.872 -13.438 1.260 1.00 0.00 N ATOM 442 CA CYS A 915 12.219 -12.459 2.282 1.00 0.00 C ATOM 443 C CYS A 915 11.668 -12.874 3.643 1.00 0.00 C ATOM 444 O CYS A 915 10.566 -13.412 3.756 1.00 0.00 O ATOM 445 CB CYS A 915 11.680 -11.079 1.900 1.00 0.00 C ATOM 446 SG CYS A 915 11.558 -9.916 3.297 1.00 0.00 S ATOM 0 H CYS A 915 10.870 -13.578 1.134 1.00 0.00 H new ATOM 0 HA CYS A 915 13.306 -12.411 2.349 1.00 0.00 H new ATOM 0 HB2 CYS A 915 12.327 -10.647 1.137 1.00 0.00 H new ATOM 0 HB3 CYS A 915 10.693 -11.197 1.452 1.00 0.00 H new ATOM 451 N PRO A 916 12.450 -12.618 4.702 1.00 0.00 N ATOM 452 CA PRO A 916 12.061 -12.955 6.074 1.00 0.00 C ATOM 453 C PRO A 916 10.919 -12.083 6.584 1.00 0.00 C ATOM 454 O PRO A 916 10.007 -12.568 7.253 1.00 0.00 O ATOM 455 CB PRO A 916 13.335 -12.692 6.879 1.00 0.00 C ATOM 456 CG PRO A 916 14.085 -11.682 6.082 1.00 0.00 C ATOM 457 CD PRO A 916 13.775 -11.979 4.641 1.00 0.00 C ATOM 0 HA PRO A 916 11.694 -13.978 6.153 1.00 0.00 H new ATOM 0 HB2 PRO A 916 13.103 -12.317 7.876 1.00 0.00 H new ATOM 0 HB3 PRO A 916 13.916 -13.605 7.009 1.00 0.00 H new ATOM 0 HG2 PRO A 916 13.778 -10.670 6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 916 15.156 -11.751 6.273 1.00 0.00 H new ATOM 0 HD2 PRO A 916 13.756 -11.071 4.039 1.00 0.00 H new ATOM 0 HD3 PRO A 916 14.520 -12.640 4.198 1.00 0.00 H new ATOM 465 N GLU A 917 10.975 -10.795 6.262 1.00 0.00 N ATOM 466 CA GLU A 917 9.944 -9.856 6.688 1.00 0.00 C ATOM 467 C GLU A 917 8.587 -10.234 6.101 1.00 0.00 C ATOM 468 O GLU A 917 7.664 -10.597 6.828 1.00 0.00 O ATOM 469 CB GLU A 917 10.315 -8.432 6.268 1.00 0.00 C ATOM 470 CG GLU A 917 11.691 -7.996 6.742 1.00 0.00 C ATOM 471 CD GLU A 917 11.964 -8.390 8.181 1.00 0.00 C ATOM 472 OE1 GLU A 917 11.004 -8.435 8.977 1.00 0.00 O ATOM 473 OE2 GLU A 917 13.140 -8.654 8.510 1.00 0.00 O ATOM 0 H GLU A 917 11.723 -10.378 5.708 1.00 0.00 H new ATOM 0 HA GLU A 917 9.875 -9.900 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 917 10.275 -8.361 5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 917 9.569 -7.741 6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 917 12.450 -8.439 6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 917 11.780 -6.914 6.642 1.00 0.00 H new ATOM 480 N GLY A 918 8.475 -10.145 4.779 1.00 0.00 N ATOM 481 CA GLY A 918 7.228 -10.480 4.117 1.00 0.00 C ATOM 482 C GLY A 918 6.333 -9.272 3.920 1.00 0.00 C ATOM 483 O GLY A 918 6.609 -8.418 3.079 1.00 0.00 O ATOM 0 H GLY A 918 9.225 -9.847 4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 918 7.444 -10.930 3.148 1.00 0.00 H new ATOM 0 HA3 GLY A 918 6.698 -11.229 4.705 1.00 0.00 H new ATOM 487 N ASN A 919 5.257 -9.202 4.697 1.00 0.00 N ATOM 488 CA ASN A 919 4.318 -8.090 4.602 1.00 0.00 C ATOM 489 C ASN A 919 4.687 -6.981 5.582 1.00 0.00 C ATOM 490 O ASN A 919 4.458 -5.801 5.315 1.00 0.00 O ATOM 491 CB ASN A 919 2.893 -8.575 4.877 1.00 0.00 C ATOM 492 CG ASN A 919 2.639 -8.818 6.352 1.00 0.00 C ATOM 493 OD1 ASN A 919 2.795 -9.935 6.845 1.00 0.00 O ATOM 494 ND2 ASN A 919 2.245 -7.769 7.065 1.00 0.00 N ATOM 0 H ASN A 919 5.014 -9.901 5.399 1.00 0.00 H new ATOM 0 HA ASN A 919 4.370 -7.688 3.590 1.00 0.00 H new ATOM 0 HB2 ASN A 919 2.183 -7.836 4.506 1.00 0.00 H new ATOM 0 HB3 ASN A 919 2.713 -9.497 4.324 1.00 0.00 H new ATOM 0 HD21 ASN A 919 2.059 -7.871 8.063 1.00 0.00 H new ATOM 0 HD22 ASN A 919 2.129 -6.861 6.615 1.00 0.00 H new ATOM 501 N SER A 920 5.260 -7.368 6.717 1.00 0.00 N ATOM 502 CA SER A 920 5.658 -6.406 7.738 1.00 0.00 C ATOM 503 C SER A 920 7.065 -5.880 7.470 1.00 0.00 C ATOM 504 O SER A 920 7.805 -5.551 8.397 1.00 0.00 O ATOM 505 CB SER A 920 5.598 -7.049 9.125 1.00 0.00 C ATOM 506 OG SER A 920 4.258 -7.193 9.563 1.00 0.00 O ATOM 0 H SER A 920 5.459 -8.340 6.953 1.00 0.00 H new ATOM 0 HA SER A 920 4.962 -5.568 7.703 1.00 0.00 H new ATOM 0 HB2 SER A 920 6.082 -8.025 9.098 1.00 0.00 H new ATOM 0 HB3 SER A 920 6.153 -6.438 9.837 1.00 0.00 H new ATOM 0 HG SER A 920 4.247 -7.608 10.451 1.00 0.00 H new ATOM 512 N CYS A 921 7.428 -5.803 6.194 1.00 0.00 N ATOM 513 CA CYS A 921 8.745 -5.318 5.800 1.00 0.00 C ATOM 514 C CYS A 921 8.750 -3.797 5.680 1.00 0.00 C ATOM 515 O CYS A 921 7.697 -3.160 5.665 1.00 0.00 O ATOM 516 CB CYS A 921 9.167 -5.947 4.472 1.00 0.00 C ATOM 517 SG CYS A 921 10.971 -6.063 4.244 1.00 0.00 S ATOM 0 H CYS A 921 6.827 -6.071 5.414 1.00 0.00 H new ATOM 0 HA CYS A 921 9.457 -5.607 6.573 1.00 0.00 H new ATOM 0 HB2 CYS A 921 8.738 -6.947 4.403 1.00 0.00 H new ATOM 0 HB3 CYS A 921 8.745 -5.362 3.655 1.00 0.00 H new ATOM 522 N LYS A 922 9.944 -3.220 5.593 1.00 0.00 N ATOM 523 CA LYS A 922 10.089 -1.774 5.472 1.00 0.00 C ATOM 524 C LYS A 922 10.332 -1.371 4.021 1.00 0.00 C ATOM 525 O LYS A 922 10.085 -0.229 3.634 1.00 0.00 O ATOM 526 CB LYS A 922 11.242 -1.281 6.349 1.00 0.00 C ATOM 527 CG LYS A 922 12.596 -1.836 5.942 1.00 0.00 C ATOM 528 CD LYS A 922 13.728 -0.924 6.383 1.00 0.00 C ATOM 529 CE LYS A 922 15.079 -1.613 6.263 1.00 0.00 C ATOM 530 NZ LYS A 922 15.375 -2.463 7.450 1.00 0.00 N ATOM 0 H LYS A 922 10.826 -3.732 5.604 1.00 0.00 H new ATOM 0 HA LYS A 922 9.161 -1.312 5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 922 11.278 -0.192 6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 922 11.043 -1.556 7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 922 12.732 -2.824 6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 922 12.629 -1.961 4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 922 13.725 -0.019 5.776 1.00 0.00 H new ATOM 0 HD3 LYS A 922 13.566 -0.615 7.416 1.00 0.00 H new ATOM 0 HE2 LYS A 922 15.095 -2.228 5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 922 15.861 -0.862 6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 16.304 -2.915 7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 15.385 -1.872 8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 14.643 -3.196 7.544 1.00 0.00 H new ATOM 544 N PHE A 923 10.816 -2.317 3.223 1.00 0.00 N ATOM 545 CA PHE A 923 11.091 -2.060 1.814 1.00 0.00 C ATOM 546 C PHE A 923 9.905 -2.467 0.945 1.00 0.00 C ATOM 547 O PHE A 923 9.002 -3.170 1.398 1.00 0.00 O ATOM 548 CB PHE A 923 12.345 -2.817 1.371 1.00 0.00 C ATOM 549 CG PHE A 923 13.624 -2.183 1.838 1.00 0.00 C ATOM 550 CD1 PHE A 923 13.902 -0.857 1.548 1.00 0.00 C ATOM 551 CD2 PHE A 923 14.549 -2.913 2.567 1.00 0.00 C ATOM 552 CE1 PHE A 923 15.078 -0.270 1.976 1.00 0.00 C ATOM 553 CE2 PHE A 923 15.726 -2.331 2.998 1.00 0.00 C ATOM 554 CZ PHE A 923 15.992 -1.008 2.702 1.00 0.00 C ATOM 0 H PHE A 923 11.026 -3.268 3.528 1.00 0.00 H new ATOM 0 HA PHE A 923 11.258 -0.990 1.692 1.00 0.00 H new ATOM 0 HB2 PHE A 923 12.296 -3.838 1.749 1.00 0.00 H new ATOM 0 HB3 PHE A 923 12.356 -2.880 0.283 1.00 0.00 H new ATOM 0 HD1 PHE A 923 13.191 -0.275 0.981 1.00 0.00 H new ATOM 0 HD2 PHE A 923 14.348 -3.948 2.801 1.00 0.00 H new ATOM 0 HE1 PHE A 923 15.282 0.765 1.743 1.00 0.00 H new ATOM 0 HE2 PHE A 923 16.438 -2.911 3.566 1.00 0.00 H new ATOM 0 HZ PHE A 923 16.912 -0.552 3.037 1.00 0.00 H new ATOM 564 N ALA A 924 9.915 -2.019 -0.307 1.00 0.00 N ATOM 565 CA ALA A 924 8.841 -2.337 -1.240 1.00 0.00 C ATOM 566 C ALA A 924 8.981 -3.758 -1.775 1.00 0.00 C ATOM 567 O ALA A 924 10.088 -4.222 -2.050 1.00 0.00 O ATOM 568 CB ALA A 924 8.827 -1.338 -2.388 1.00 0.00 C ATOM 0 H ALA A 924 10.655 -1.435 -0.698 1.00 0.00 H new ATOM 0 HA ALA A 924 7.895 -2.271 -0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 924 8.020 -1.587 -3.077 1.00 0.00 H new ATOM 0 HB2 ALA A 924 8.671 -0.334 -1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 924 9.780 -1.377 -2.916 1.00 0.00 H new ATOM 574 N HIS A 925 7.853 -4.445 -1.920 1.00 0.00 N ATOM 575 CA HIS A 925 7.850 -5.814 -2.422 1.00 0.00 C ATOM 576 C HIS A 925 7.157 -5.894 -3.778 1.00 0.00 C ATOM 577 O HIS A 925 5.989 -6.268 -3.869 1.00 0.00 O ATOM 578 CB HIS A 925 7.156 -6.744 -1.426 1.00 0.00 C ATOM 579 CG HIS A 925 8.024 -7.140 -0.271 1.00 0.00 C ATOM 580 ND1 HIS A 925 7.803 -8.273 0.483 1.00 0.00 N ATOM 581 CD2 HIS A 925 9.120 -6.547 0.257 1.00 0.00 C ATOM 582 CE1 HIS A 925 8.724 -8.359 1.425 1.00 0.00 C ATOM 583 NE2 HIS A 925 9.536 -7.324 1.310 1.00 0.00 N ATOM 0 H HIS A 925 6.929 -4.076 -1.697 1.00 0.00 H new ATOM 0 HA HIS A 925 8.885 -6.132 -2.544 1.00 0.00 H new ATOM 0 HB2 HIS A 925 6.261 -6.252 -1.045 1.00 0.00 H new ATOM 0 HB3 HIS A 925 6.828 -7.643 -1.948 1.00 0.00 H new ATOM 0 HD1 HIS A 925 7.046 -8.941 0.336 1.00 0.00 H new ATOM 0 HD2 HIS A 925 9.582 -5.633 -0.086 1.00 0.00 H new ATOM 0 HE1 HIS A 925 8.800 -9.143 2.164 1.00 0.00 H new ATOM 591 N GLY A 926 7.886 -5.539 -4.832 1.00 0.00 N ATOM 592 CA GLY A 926 7.325 -5.577 -6.170 1.00 0.00 C ATOM 593 C GLY A 926 7.295 -4.211 -6.825 1.00 0.00 C ATOM 594 O GLY A 926 6.673 -3.282 -6.311 1.00 0.00 O ATOM 0 H GLY A 926 8.855 -5.226 -4.783 1.00 0.00 H new ATOM 0 HA2 GLY A 926 7.910 -6.259 -6.787 1.00 0.00 H new ATOM 0 HA3 GLY A 926 6.312 -5.977 -6.125 1.00 0.00 H new ATOM 598 N ASN A 927 7.972 -4.087 -7.962 1.00 0.00 N ATOM 599 CA ASN A 927 8.022 -2.823 -8.688 1.00 0.00 C ATOM 600 C ASN A 927 6.643 -2.174 -8.747 1.00 0.00 C ATOM 601 O ASN A 927 6.483 -0.999 -8.419 1.00 0.00 O ATOM 602 CB ASN A 927 8.555 -3.045 -10.105 1.00 0.00 C ATOM 603 CG ASN A 927 7.563 -3.778 -10.987 1.00 0.00 C ATOM 604 OD1 ASN A 927 6.691 -3.165 -11.602 1.00 0.00 O ATOM 605 ND2 ASN A 927 7.693 -5.098 -11.052 1.00 0.00 N ATOM 0 H ASN A 927 8.493 -4.846 -8.400 1.00 0.00 H new ATOM 0 HA ASN A 927 8.696 -2.153 -8.154 1.00 0.00 H new ATOM 0 HB2 ASN A 927 8.795 -2.082 -10.555 1.00 0.00 H new ATOM 0 HB3 ASN A 927 9.483 -3.614 -10.056 1.00 0.00 H new ATOM 0 HD21 ASN A 927 7.055 -5.646 -11.629 1.00 0.00 H new ATOM 0 HD22 ASN A 927 8.431 -5.564 -10.525 1.00 0.00 H new ATOM 612 N ALA A 928 5.648 -2.949 -9.167 1.00 0.00 N ATOM 613 CA ALA A 928 4.282 -2.451 -9.267 1.00 0.00 C ATOM 614 C ALA A 928 3.792 -1.917 -7.925 1.00 0.00 C ATOM 615 O ALA A 928 3.101 -0.901 -7.866 1.00 0.00 O ATOM 616 CB ALA A 928 3.356 -3.549 -9.770 1.00 0.00 C ATOM 0 H ALA A 928 5.763 -3.924 -9.443 1.00 0.00 H new ATOM 0 HA ALA A 928 4.273 -1.627 -9.981 1.00 0.00 H new ATOM 0 HB1 ALA A 928 2.339 -3.163 -9.840 1.00 0.00 H new ATOM 0 HB2 ALA A 928 3.687 -3.881 -10.754 1.00 0.00 H new ATOM 0 HB3 ALA A 928 3.378 -4.390 -9.077 1.00 0.00 H new ATOM 622 N GLU A 929 4.155 -2.610 -6.850 1.00 0.00 N ATOM 623 CA GLU A 929 3.750 -2.205 -5.509 1.00 0.00 C ATOM 624 C GLU A 929 4.303 -0.824 -5.168 1.00 0.00 C ATOM 625 O GLU A 929 3.567 0.059 -4.726 1.00 0.00 O ATOM 626 CB GLU A 929 4.230 -3.228 -4.477 1.00 0.00 C ATOM 627 CG GLU A 929 3.496 -3.143 -3.149 1.00 0.00 C ATOM 628 CD GLU A 929 3.594 -4.426 -2.346 1.00 0.00 C ATOM 629 OE1 GLU A 929 4.603 -4.604 -1.632 1.00 0.00 O ATOM 630 OE2 GLU A 929 2.660 -5.251 -2.431 1.00 0.00 O ATOM 0 H GLU A 929 4.728 -3.453 -6.882 1.00 0.00 H new ATOM 0 HA GLU A 929 2.661 -2.158 -5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 929 4.107 -4.230 -4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 929 5.296 -3.083 -4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 929 3.906 -2.320 -2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 929 2.447 -2.912 -3.332 1.00 0.00 H new ATOM 637 N LEU A 930 5.603 -0.646 -5.375 1.00 0.00 N ATOM 638 CA LEU A 930 6.256 0.627 -5.090 1.00 0.00 C ATOM 639 C LEU A 930 5.472 1.788 -5.693 1.00 0.00 C ATOM 640 O LEU A 930 5.121 2.742 -4.997 1.00 0.00 O ATOM 641 CB LEU A 930 7.685 0.623 -5.636 1.00 0.00 C ATOM 642 CG LEU A 930 8.536 1.847 -5.295 1.00 0.00 C ATOM 643 CD1 LEU A 930 8.978 1.801 -3.840 1.00 0.00 C ATOM 644 CD2 LEU A 930 9.743 1.931 -6.219 1.00 0.00 C ATOM 0 H LEU A 930 6.226 -1.367 -5.739 1.00 0.00 H new ATOM 0 HA LEU A 930 6.287 0.757 -4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 930 8.194 -0.265 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 930 7.638 0.529 -6.721 1.00 0.00 H new ATOM 0 HG LEU A 930 7.929 2.740 -5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 930 9.582 2.680 -3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 930 8.101 1.789 -3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 930 9.568 0.901 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 930 10.337 2.808 -5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 930 10.352 1.034 -6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 930 9.405 2.011 -7.252 1.00 0.00 H new ATOM 656 N HIS A 931 5.198 1.701 -6.991 1.00 0.00 N ATOM 657 CA HIS A 931 4.453 2.743 -7.687 1.00 0.00 C ATOM 658 C HIS A 931 3.401 3.363 -6.772 1.00 0.00 C ATOM 659 O HIS A 931 3.322 4.583 -6.639 1.00 0.00 O ATOM 660 CB HIS A 931 3.784 2.172 -8.938 1.00 0.00 C ATOM 661 CG HIS A 931 4.734 1.466 -9.855 1.00 0.00 C ATOM 662 ND1 HIS A 931 4.321 0.591 -10.838 1.00 0.00 N ATOM 663 CD2 HIS A 931 6.085 1.510 -9.936 1.00 0.00 C ATOM 664 CE1 HIS A 931 5.377 0.126 -11.482 1.00 0.00 C ATOM 665 NE2 HIS A 931 6.459 0.669 -10.955 1.00 0.00 N ATOM 0 H HIS A 931 5.481 0.919 -7.582 1.00 0.00 H new ATOM 0 HA HIS A 931 5.156 3.522 -7.983 1.00 0.00 H new ATOM 0 HB2 HIS A 931 3.000 1.478 -8.636 1.00 0.00 H new ATOM 0 HB3 HIS A 931 3.300 2.982 -9.483 1.00 0.00 H new ATOM 0 HD2 HIS A 931 6.745 2.097 -9.315 1.00 0.00 H new ATOM 0 HE1 HIS A 931 5.358 -0.579 -12.300 1.00 0.00 H new ATOM 0 HE2 HIS A 931 7.417 0.492 -11.256 1.00 0.00 H new ATOM 673 N GLU A 932 2.595 2.512 -6.143 1.00 0.00 N ATOM 674 CA GLU A 932 1.548 2.978 -5.242 1.00 0.00 C ATOM 675 C GLU A 932 2.149 3.630 -4.000 1.00 0.00 C ATOM 676 O GLU A 932 1.688 4.681 -3.554 1.00 0.00 O ATOM 677 CB GLU A 932 0.642 1.814 -4.832 1.00 0.00 C ATOM 678 CG GLU A 932 -0.303 1.362 -5.933 1.00 0.00 C ATOM 679 CD GLU A 932 0.361 0.424 -6.923 1.00 0.00 C ATOM 680 OE1 GLU A 932 1.157 -0.433 -6.485 1.00 0.00 O ATOM 681 OE2 GLU A 932 0.085 0.548 -8.135 1.00 0.00 O ATOM 0 H GLU A 932 2.647 1.498 -6.241 1.00 0.00 H new ATOM 0 HA GLU A 932 0.954 3.723 -5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 932 1.263 0.971 -4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 932 0.057 2.109 -3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 932 -1.163 0.863 -5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 932 -0.681 2.236 -6.464 1.00 0.00 H new ATOM 688 N TRP A 933 3.178 2.999 -3.447 1.00 0.00 N ATOM 689 CA TRP A 933 3.842 3.517 -2.257 1.00 0.00 C ATOM 690 C TRP A 933 4.250 4.973 -2.451 1.00 0.00 C ATOM 691 O TRP A 933 4.057 5.805 -1.565 1.00 0.00 O ATOM 692 CB TRP A 933 5.071 2.670 -1.924 1.00 0.00 C ATOM 693 CG TRP A 933 4.774 1.531 -0.996 1.00 0.00 C ATOM 694 CD1 TRP A 933 3.557 0.954 -0.770 1.00 0.00 C ATOM 695 CD2 TRP A 933 5.711 0.832 -0.169 1.00 0.00 C ATOM 696 NE1 TRP A 933 3.681 -0.061 0.148 1.00 0.00 N ATOM 697 CE2 TRP A 933 4.992 -0.157 0.531 1.00 0.00 C ATOM 698 CE3 TRP A 933 7.087 0.944 0.046 1.00 0.00 C ATOM 699 CZ2 TRP A 933 5.605 -1.025 1.430 1.00 0.00 C ATOM 700 CZ3 TRP A 933 7.693 0.082 0.940 1.00 0.00 C ATOM 701 CH2 TRP A 933 6.953 -0.893 1.622 1.00 0.00 C ATOM 0 H TRP A 933 3.571 2.128 -3.804 1.00 0.00 H new ATOM 0 HA TRP A 933 3.138 3.464 -1.427 1.00 0.00 H new ATOM 0 HB2 TRP A 933 5.493 2.276 -2.848 1.00 0.00 H new ATOM 0 HB3 TRP A 933 5.832 3.308 -1.473 1.00 0.00 H new ATOM 0 HD1 TRP A 933 2.633 1.252 -1.243 1.00 0.00 H new ATOM 0 HE1 TRP A 933 2.920 -0.648 0.489 1.00 0.00 H new ATOM 0 HE3 TRP A 933 7.666 1.691 -0.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 933 5.036 -1.776 1.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 933 8.756 0.161 1.116 1.00 0.00 H new ATOM 0 HH2 TRP A 933 7.457 -1.553 2.313 1.00 0.00 H new ATOM 712 N GLU A 934 4.815 5.275 -3.616 1.00 0.00 N ATOM 713 CA GLU A 934 5.251 6.632 -3.925 1.00 0.00 C ATOM 714 C GLU A 934 4.120 7.631 -3.700 1.00 0.00 C ATOM 715 O GLU A 934 4.344 8.737 -3.211 1.00 0.00 O ATOM 716 CB GLU A 934 5.741 6.717 -5.372 1.00 0.00 C ATOM 717 CG GLU A 934 6.977 5.877 -5.647 1.00 0.00 C ATOM 718 CD GLU A 934 7.034 5.373 -7.076 1.00 0.00 C ATOM 719 OE1 GLU A 934 6.430 6.020 -7.957 1.00 0.00 O ATOM 720 OE2 GLU A 934 7.682 4.333 -7.313 1.00 0.00 O ATOM 0 H GLU A 934 4.981 4.599 -4.361 1.00 0.00 H new ATOM 0 HA GLU A 934 6.073 6.883 -3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 934 4.939 6.397 -6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 934 5.959 7.758 -5.612 1.00 0.00 H new ATOM 0 HG2 GLU A 934 7.868 6.469 -5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 934 6.993 5.027 -4.965 1.00 0.00 H new ATOM 727 N GLU A 935 2.904 7.231 -4.062 1.00 0.00 N ATOM 728 CA GLU A 935 1.738 8.092 -3.900 1.00 0.00 C ATOM 729 C GLU A 935 1.307 8.156 -2.438 1.00 0.00 C ATOM 730 O GLU A 935 1.091 9.237 -1.890 1.00 0.00 O ATOM 731 CB GLU A 935 0.580 7.587 -4.763 1.00 0.00 C ATOM 732 CG GLU A 935 0.892 7.569 -6.251 1.00 0.00 C ATOM 733 CD GLU A 935 1.026 8.961 -6.835 1.00 0.00 C ATOM 734 OE1 GLU A 935 1.898 9.721 -6.364 1.00 0.00 O ATOM 735 OE2 GLU A 935 0.259 9.292 -7.763 1.00 0.00 O ATOM 0 H GLU A 935 2.701 6.318 -4.469 1.00 0.00 H new ATOM 0 HA GLU A 935 2.012 9.096 -4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 935 0.313 6.579 -4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 935 -0.292 8.218 -4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 935 1.818 7.018 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 935 0.103 7.032 -6.778 1.00 0.00 H new ATOM 742 N ARG A 936 1.184 6.990 -1.812 1.00 0.00 N ATOM 743 CA ARG A 936 0.777 6.912 -0.415 1.00 0.00 C ATOM 744 C ARG A 936 1.516 7.949 0.425 1.00 0.00 C ATOM 745 O ARG A 936 0.924 8.924 0.888 1.00 0.00 O ATOM 746 CB ARG A 936 1.041 5.510 0.138 1.00 0.00 C ATOM 747 CG ARG A 936 0.435 4.399 -0.704 1.00 0.00 C ATOM 748 CD ARG A 936 0.168 3.153 0.126 1.00 0.00 C ATOM 749 NE ARG A 936 -1.215 3.091 0.590 1.00 0.00 N ATOM 750 CZ ARG A 936 -2.212 2.597 -0.135 1.00 0.00 C ATOM 751 NH1 ARG A 936 -1.980 2.125 -1.352 1.00 0.00 N ATOM 752 NH2 ARG A 936 -3.444 2.574 0.357 1.00 0.00 N ATOM 0 H ARG A 936 1.361 6.086 -2.251 1.00 0.00 H new ATOM 0 HA ARG A 936 -0.291 7.121 -0.362 1.00 0.00 H new ATOM 0 HB2 ARG A 936 2.117 5.354 0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 936 0.641 5.447 1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 936 -0.497 4.746 -1.151 1.00 0.00 H new ATOM 0 HG3 ARG A 936 1.110 4.153 -1.524 1.00 0.00 H new ATOM 0 HD2 ARG A 936 0.391 2.267 -0.468 1.00 0.00 H new ATOM 0 HD3 ARG A 936 0.839 3.138 0.985 1.00 0.00 H new ATOM 0 HE ARG A 936 -1.427 3.447 1.522 1.00 0.00 H new ATOM 0 HH11 ARG A 936 -1.034 2.141 -1.733 1.00 0.00 H new ATOM 0 HH12 ARG A 936 -2.747 1.746 -1.907 1.00 0.00 H new ATOM 0 HH21 ARG A 936 -3.626 2.936 1.293 1.00 0.00 H new ATOM 0 HH22 ARG A 936 -4.209 2.194 -0.201 1.00 0.00 H new ATOM 766 N ARG A 937 2.813 7.731 0.619 1.00 0.00 N ATOM 767 CA ARG A 937 3.633 8.646 1.404 1.00 0.00 C ATOM 768 C ARG A 937 3.453 10.084 0.926 1.00 0.00 C ATOM 769 O ARG A 937 3.011 10.949 1.683 1.00 0.00 O ATOM 770 CB ARG A 937 5.107 8.248 1.314 1.00 0.00 C ATOM 771 CG ARG A 937 5.956 8.794 2.452 1.00 0.00 C ATOM 772 CD ARG A 937 5.855 7.918 3.691 1.00 0.00 C ATOM 773 NE ARG A 937 6.857 8.271 4.693 1.00 0.00 N ATOM 774 CZ ARG A 937 6.714 8.031 5.992 1.00 0.00 C ATOM 775 NH1 ARG A 937 5.617 7.441 6.443 1.00 0.00 N ATOM 776 NH2 ARG A 937 7.671 8.382 6.842 1.00 0.00 N ATOM 0 H ARG A 937 3.318 6.929 0.243 1.00 0.00 H new ATOM 0 HA ARG A 937 3.310 8.584 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 937 5.181 7.161 1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 937 5.513 8.602 0.367 1.00 0.00 H new ATOM 0 HG2 ARG A 937 6.996 8.857 2.133 1.00 0.00 H new ATOM 0 HG3 ARG A 937 5.635 9.807 2.694 1.00 0.00 H new ATOM 0 HD2 ARG A 937 4.859 8.015 4.124 1.00 0.00 H new ATOM 0 HD3 ARG A 937 5.978 6.873 3.407 1.00 0.00 H new ATOM 0 HE ARG A 937 7.714 8.727 4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 937 4.880 7.170 5.793 1.00 0.00 H new ATOM 0 HH12 ARG A 937 5.510 7.258 7.441 1.00 0.00 H new ATOM 0 HH21 ARG A 937 8.517 8.836 6.498 1.00 0.00 H new ATOM 0 HH22 ARG A 937 7.560 8.197 7.839 1.00 0.00 H new ATOM 790 N ASP A 938 3.799 10.331 -0.332 1.00 0.00 N ATOM 791 CA ASP A 938 3.675 11.664 -0.911 1.00 0.00 C ATOM 792 C ASP A 938 2.392 12.343 -0.443 1.00 0.00 C ATOM 793 O ASP A 938 2.410 13.494 -0.008 1.00 0.00 O ATOM 794 CB ASP A 938 3.697 11.584 -2.438 1.00 0.00 C ATOM 795 CG ASP A 938 5.053 11.171 -2.977 1.00 0.00 C ATOM 796 OD1 ASP A 938 5.785 10.457 -2.260 1.00 0.00 O ATOM 797 OD2 ASP A 938 5.382 11.562 -4.117 1.00 0.00 O ATOM 0 H ASP A 938 4.168 9.626 -0.971 1.00 0.00 H new ATOM 0 HA ASP A 938 4.523 12.260 -0.574 1.00 0.00 H new ATOM 0 HB2 ASP A 938 2.944 10.871 -2.772 1.00 0.00 H new ATOM 0 HB3 ASP A 938 3.424 12.554 -2.854 1.00 0.00 H new ATOM 802 N ALA A 939 1.279 11.623 -0.538 1.00 0.00 N ATOM 803 CA ALA A 939 -0.013 12.155 -0.123 1.00 0.00 C ATOM 804 C ALA A 939 0.103 12.916 1.193 1.00 0.00 C ATOM 805 O ALA A 939 -0.468 13.996 1.350 1.00 0.00 O ATOM 806 CB ALA A 939 -1.031 11.031 0.003 1.00 0.00 C ATOM 0 H ALA A 939 1.246 10.670 -0.899 1.00 0.00 H new ATOM 0 HA ALA A 939 -0.352 12.854 -0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 939 -1.991 11.443 0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 939 -1.144 10.533 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 939 -0.688 10.311 0.746 1.00 0.00 H new ATOM 812 N LEU A 940 0.845 12.346 2.137 1.00 0.00 N ATOM 813 CA LEU A 940 1.036 12.971 3.441 1.00 0.00 C ATOM 814 C LEU A 940 1.531 14.406 3.290 1.00 0.00 C ATOM 815 O LEU A 940 0.992 15.328 3.904 1.00 0.00 O ATOM 816 CB LEU A 940 2.030 12.162 4.275 1.00 0.00 C ATOM 817 CG LEU A 940 1.763 10.659 4.367 1.00 0.00 C ATOM 818 CD1 LEU A 940 2.819 9.980 5.225 1.00 0.00 C ATOM 819 CD2 LEU A 940 0.372 10.398 4.926 1.00 0.00 C ATOM 0 H LEU A 940 1.324 11.453 2.023 1.00 0.00 H new ATOM 0 HA LEU A 940 0.073 12.990 3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 940 3.027 12.309 3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 940 2.043 12.571 5.285 1.00 0.00 H new ATOM 0 HG LEU A 940 1.815 10.239 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 940 2.612 8.911 5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 940 3.803 10.137 4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 940 2.800 10.404 6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 940 0.199 9.323 4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 940 0.293 10.833 5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 940 -0.374 10.850 4.272 1.00 0.00 H new ATOM 831 N LYS A 941 2.559 14.589 2.468 1.00 0.00 N ATOM 832 CA LYS A 941 3.125 15.912 2.233 1.00 0.00 C ATOM 833 C LYS A 941 2.025 16.963 2.127 1.00 0.00 C ATOM 834 O LYS A 941 2.216 18.115 2.516 1.00 0.00 O ATOM 835 CB LYS A 941 3.967 15.908 0.955 1.00 0.00 C ATOM 836 CG LYS A 941 3.155 16.131 -0.309 1.00 0.00 C ATOM 837 CD LYS A 941 3.840 15.530 -1.525 1.00 0.00 C ATOM 838 CE LYS A 941 3.251 16.069 -2.820 1.00 0.00 C ATOM 839 NZ LYS A 941 1.972 15.393 -3.172 1.00 0.00 N ATOM 0 H LYS A 941 3.017 13.837 1.953 1.00 0.00 H new ATOM 0 HA LYS A 941 3.763 16.164 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 941 4.729 16.684 1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 941 4.490 14.955 0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 941 2.167 15.687 -0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 941 3.008 17.200 -0.464 1.00 0.00 H new ATOM 0 HD2 LYS A 941 4.907 15.751 -1.489 1.00 0.00 H new ATOM 0 HD3 LYS A 941 3.739 14.445 -1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 941 3.080 17.141 -2.722 1.00 0.00 H new ATOM 0 HE3 LYS A 941 3.968 15.933 -3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 941 1.603 15.789 -4.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 941 2.139 14.373 -3.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 941 1.279 15.544 -2.412 1.00 0.00 H new ATOM 853 N MET A 942 0.875 16.559 1.599 1.00 0.00 N ATOM 854 CA MET A 942 -0.256 17.467 1.445 1.00 0.00 C ATOM 855 C MET A 942 -0.367 18.405 2.643 1.00 0.00 C ATOM 856 O MET A 942 -0.671 19.588 2.491 1.00 0.00 O ATOM 857 CB MET A 942 -1.555 16.675 1.281 1.00 0.00 C ATOM 858 CG MET A 942 -2.054 16.051 2.574 1.00 0.00 C ATOM 859 SD MET A 942 -3.632 15.203 2.372 1.00 0.00 S ATOM 860 CE MET A 942 -3.171 13.524 2.792 1.00 0.00 C ATOM 0 H MET A 942 0.701 15.609 1.270 1.00 0.00 H new ATOM 0 HA MET A 942 -0.089 18.067 0.550 1.00 0.00 H new ATOM 0 HB2 MET A 942 -2.326 17.336 0.885 1.00 0.00 H new ATOM 0 HB3 MET A 942 -1.400 15.888 0.543 1.00 0.00 H new ATOM 0 HG2 MET A 942 -1.311 15.344 2.942 1.00 0.00 H new ATOM 0 HG3 MET A 942 -2.158 16.828 3.331 1.00 0.00 H new ATOM 0 HE1 MET A 942 -4.052 12.978 3.129 1.00 0.00 H new ATOM 0 HE2 MET A 942 -2.752 13.031 1.915 1.00 0.00 H new ATOM 0 HE3 MET A 942 -2.428 13.539 3.589 1.00 0.00 H new ATOM 870 N LYS A 943 -0.119 17.869 3.833 1.00 0.00 N ATOM 871 CA LYS A 943 -0.190 18.658 5.057 1.00 0.00 C ATOM 872 C LYS A 943 1.196 18.841 5.667 1.00 0.00 C ATOM 873 O LYS A 943 2.124 18.092 5.361 1.00 0.00 O ATOM 874 CB LYS A 943 -1.120 17.984 6.069 1.00 0.00 C ATOM 875 CG LYS A 943 -1.833 18.963 6.986 1.00 0.00 C ATOM 876 CD LYS A 943 -3.185 19.369 6.423 1.00 0.00 C ATOM 877 CE LYS A 943 -3.079 20.623 5.569 1.00 0.00 C ATOM 878 NZ LYS A 943 -2.584 21.789 6.354 1.00 0.00 N ATOM 0 H LYS A 943 0.133 16.891 3.976 1.00 0.00 H new ATOM 0 HA LYS A 943 -0.589 19.640 4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 943 -1.863 17.396 5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 943 -0.540 17.288 6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 943 -1.968 18.511 7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 943 -1.214 19.850 7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 943 -3.591 18.553 5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 943 -3.884 19.543 7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 943 -2.406 20.437 4.732 1.00 0.00 H new ATOM 0 HE3 LYS A 943 -4.056 20.858 5.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 943 -2.966 22.667 5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 943 -2.895 21.699 7.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 943 -1.545 21.815 6.319 1.00 0.00 H new ATOM 892 N LEU A 944 1.329 19.840 6.533 1.00 0.00 N ATOM 893 CA LEU A 944 2.602 20.121 7.188 1.00 0.00 C ATOM 894 C LEU A 944 2.560 19.711 8.657 1.00 0.00 C ATOM 895 O LEU A 944 2.307 20.535 9.534 1.00 0.00 O ATOM 896 CB LEU A 944 2.941 21.608 7.071 1.00 0.00 C ATOM 897 CG LEU A 944 2.613 22.268 5.731 1.00 0.00 C ATOM 898 CD1 LEU A 944 3.418 23.545 5.554 1.00 0.00 C ATOM 899 CD2 LEU A 944 2.877 21.304 4.583 1.00 0.00 C ATOM 0 H LEU A 944 0.571 20.469 6.798 1.00 0.00 H new ATOM 0 HA LEU A 944 3.376 19.538 6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 944 2.409 22.144 7.857 1.00 0.00 H new ATOM 0 HB3 LEU A 944 4.006 21.734 7.264 1.00 0.00 H new ATOM 0 HG LEU A 944 1.554 22.527 5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 944 3.171 24.001 4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 944 3.179 24.240 6.358 1.00 0.00 H new ATOM 0 HD13 LEU A 944 4.482 23.311 5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 944 2.638 21.790 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 944 3.927 21.013 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 944 2.255 20.417 4.702 1.00 0.00 H new ATOM 911 N ASN A 945 2.813 18.433 8.916 1.00 0.00 N ATOM 912 CA ASN A 945 2.806 17.914 10.279 1.00 0.00 C ATOM 913 C ASN A 945 4.175 17.353 10.655 1.00 0.00 C ATOM 914 O ASN A 945 4.675 16.426 10.017 1.00 0.00 O ATOM 915 CB ASN A 945 1.740 16.827 10.428 1.00 0.00 C ATOM 916 CG ASN A 945 0.357 17.403 10.668 1.00 0.00 C ATOM 917 OD1 ASN A 945 0.118 18.588 10.438 1.00 0.00 O ATOM 918 ND2 ASN A 945 -0.560 16.563 11.134 1.00 0.00 N ATOM 0 H ASN A 945 3.025 17.738 8.201 1.00 0.00 H new ATOM 0 HA ASN A 945 2.572 18.738 10.953 1.00 0.00 H new ATOM 0 HB2 ASN A 945 1.724 16.212 9.528 1.00 0.00 H new ATOM 0 HB3 ASN A 945 2.007 16.171 11.257 1.00 0.00 H new ATOM 0 HD21 ASN A 945 -1.508 16.893 11.316 1.00 0.00 H new ATOM 0 HD22 ASN A 945 -0.316 15.588 11.310 1.00 0.00 H new ATOM 925 N LYS A 946 4.776 17.922 11.694 1.00 0.00 N ATOM 926 CA LYS A 946 6.086 17.480 12.157 1.00 0.00 C ATOM 927 C LYS A 946 6.019 16.056 12.699 1.00 0.00 C ATOM 928 O LYS A 946 5.632 15.836 13.846 1.00 0.00 O ATOM 929 CB LYS A 946 6.613 18.425 13.240 1.00 0.00 C ATOM 930 CG LYS A 946 6.730 19.868 12.783 1.00 0.00 C ATOM 931 CD LYS A 946 7.947 20.076 11.899 1.00 0.00 C ATOM 932 CE LYS A 946 9.231 20.102 12.714 1.00 0.00 C ATOM 933 NZ LYS A 946 10.430 19.843 11.870 1.00 0.00 N ATOM 0 H LYS A 946 4.376 18.691 12.232 1.00 0.00 H new ATOM 0 HA LYS A 946 6.768 17.495 11.307 1.00 0.00 H new ATOM 0 HB2 LYS A 946 5.951 18.379 14.104 1.00 0.00 H new ATOM 0 HB3 LYS A 946 7.592 18.077 13.570 1.00 0.00 H new ATOM 0 HG2 LYS A 946 5.830 20.152 12.237 1.00 0.00 H new ATOM 0 HG3 LYS A 946 6.795 20.522 13.653 1.00 0.00 H new ATOM 0 HD2 LYS A 946 8.001 19.278 11.159 1.00 0.00 H new ATOM 0 HD3 LYS A 946 7.844 21.012 11.351 1.00 0.00 H new ATOM 0 HE2 LYS A 946 9.332 21.072 13.201 1.00 0.00 H new ATOM 0 HE3 LYS A 946 9.175 19.353 13.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 946 11.284 19.869 12.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 946 10.346 18.907 11.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 946 10.499 20.572 11.131 1.00 0.00 H new ATOM 947 N ALA A 947 6.400 15.092 11.867 1.00 0.00 N ATOM 948 CA ALA A 947 6.386 13.690 12.264 1.00 0.00 C ATOM 949 C ALA A 947 7.795 13.193 12.572 1.00 0.00 C ATOM 950 O ALA A 947 8.048 12.642 13.643 1.00 0.00 O ATOM 951 CB ALA A 947 5.750 12.839 11.175 1.00 0.00 C ATOM 0 H ALA A 947 6.722 15.257 10.913 1.00 0.00 H new ATOM 0 HA ALA A 947 5.791 13.601 13.173 1.00 0.00 H new ATOM 0 HB1 ALA A 947 5.746 11.794 11.485 1.00 0.00 H new ATOM 0 HB2 ALA A 947 4.726 13.171 11.006 1.00 0.00 H new ATOM 0 HB3 ALA A 947 6.322 12.942 10.253 1.00 0.00 H new ATOM 957 N SER A 948 8.707 13.390 11.625 1.00 0.00 N ATOM 958 CA SER A 948 10.089 12.958 11.794 1.00 0.00 C ATOM 959 C SER A 948 10.677 13.509 13.090 1.00 0.00 C ATOM 960 O SER A 948 10.657 14.716 13.329 1.00 0.00 O ATOM 961 CB SER A 948 10.936 13.410 10.603 1.00 0.00 C ATOM 962 OG SER A 948 10.860 14.814 10.427 1.00 0.00 O ATOM 0 H SER A 948 8.513 13.846 10.733 1.00 0.00 H new ATOM 0 HA SER A 948 10.099 11.869 11.846 1.00 0.00 H new ATOM 0 HB2 SER A 948 11.974 13.115 10.758 1.00 0.00 H new ATOM 0 HB3 SER A 948 10.594 12.908 9.698 1.00 0.00 H new ATOM 0 HG SER A 948 10.688 15.243 11.291 1.00 0.00 H new ATOM 968 N GLY A 949 11.200 12.615 13.923 1.00 0.00 N ATOM 969 CA GLY A 949 11.786 13.030 15.184 1.00 0.00 C ATOM 970 C GLY A 949 13.298 12.929 15.182 1.00 0.00 C ATOM 971 O GLY A 949 13.873 11.905 14.809 1.00 0.00 O ATOM 0 H GLY A 949 11.228 11.611 13.747 1.00 0.00 H new ATOM 0 HA2 GLY A 949 11.494 14.059 15.396 1.00 0.00 H new ATOM 0 HA3 GLY A 949 11.385 12.413 15.988 1.00 0.00 H new ATOM 975 N PRO A 950 13.968 14.011 15.605 1.00 0.00 N ATOM 976 CA PRO A 950 15.432 14.064 15.658 1.00 0.00 C ATOM 977 C PRO A 950 16.006 13.163 16.746 1.00 0.00 C ATOM 978 O PRO A 950 17.218 13.126 16.960 1.00 0.00 O ATOM 979 CB PRO A 950 15.722 15.534 15.974 1.00 0.00 C ATOM 980 CG PRO A 950 14.498 16.020 16.671 1.00 0.00 C ATOM 981 CD PRO A 950 13.348 15.265 16.064 1.00 0.00 C ATOM 0 HA PRO A 950 15.886 13.715 14.731 1.00 0.00 H new ATOM 0 HB2 PRO A 950 16.604 15.637 16.606 1.00 0.00 H new ATOM 0 HB3 PRO A 950 15.913 16.104 15.065 1.00 0.00 H new ATOM 0 HG2 PRO A 950 14.562 15.838 17.744 1.00 0.00 H new ATOM 0 HG3 PRO A 950 14.373 17.095 16.537 1.00 0.00 H new ATOM 0 HD2 PRO A 950 12.559 15.080 16.793 1.00 0.00 H new ATOM 0 HD3 PRO A 950 12.897 15.816 15.239 1.00 0.00 H new ATOM 989 N SER A 951 15.128 12.437 17.431 1.00 0.00 N ATOM 990 CA SER A 951 15.548 11.538 18.499 1.00 0.00 C ATOM 991 C SER A 951 16.857 10.841 18.141 1.00 0.00 C ATOM 992 O SER A 951 17.096 10.505 16.981 1.00 0.00 O ATOM 993 CB SER A 951 14.461 10.496 18.774 1.00 0.00 C ATOM 994 OG SER A 951 14.477 10.088 20.131 1.00 0.00 O ATOM 0 H SER A 951 14.122 12.454 17.265 1.00 0.00 H new ATOM 0 HA SER A 951 15.708 12.133 19.398 1.00 0.00 H new ATOM 0 HB2 SER A 951 13.484 10.911 18.527 1.00 0.00 H new ATOM 0 HB3 SER A 951 14.611 9.630 18.129 1.00 0.00 H new ATOM 0 HG SER A 951 13.772 9.424 20.281 1.00 0.00 H new ATOM 1000 N SER A 952 17.701 10.629 19.145 1.00 0.00 N ATOM 1001 CA SER A 952 18.989 9.977 18.936 1.00 0.00 C ATOM 1002 C SER A 952 18.826 8.707 18.106 1.00 0.00 C ATOM 1003 O SER A 952 19.503 8.521 17.096 1.00 0.00 O ATOM 1004 CB SER A 952 19.638 9.641 20.280 1.00 0.00 C ATOM 1005 OG SER A 952 20.853 8.935 20.097 1.00 0.00 O ATOM 0 H SER A 952 17.517 10.899 20.111 1.00 0.00 H new ATOM 0 HA SER A 952 19.634 10.667 18.391 1.00 0.00 H new ATOM 0 HB2 SER A 952 19.828 10.559 20.836 1.00 0.00 H new ATOM 0 HB3 SER A 952 18.952 9.042 20.879 1.00 0.00 H new ATOM 0 HG SER A 952 21.249 8.733 20.970 1.00 0.00 H new ATOM 1011 N GLY A 953 17.922 7.835 18.541 1.00 0.00 N ATOM 1012 CA GLY A 953 17.685 6.593 17.828 1.00 0.00 C ATOM 1013 C GLY A 953 16.751 6.771 16.648 1.00 0.00 C ATOM 1014 O GLY A 953 16.674 5.879 15.805 1.00 0.00 O ATOM 0 H GLY A 953 17.349 7.966 19.375 1.00 0.00 H new ATOM 0 HA2 GLY A 953 18.636 6.192 17.477 1.00 0.00 H new ATOM 0 HA3 GLY A 953 17.263 5.859 18.514 1.00 0.00 H new TER 1018 GLY A 953 HETATM 1019 ZN ZN A1085 11.404 -7.694 2.650 1.00 0.00 ZN