USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=20 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 945 ASN : amide:sc=-0.00366 X(o=-0.23,f=-0.21) USER MOD Set 1.2: A 948 SER OG : rot 69:sc= -0.225 USER MOD Single : A 886 SER OG : rot 38:sc= 0.829 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 -41:sc= 1.05 USER MOD Single : A 892 GLN : amide:sc= -0.777 K(o=-0.78,f=-2.8!) USER MOD Single : A 893 TYR OH : rot 180:sc= 0 USER MOD Single : A 894 CYS SG : rot 180:sc= 0 USER MOD Single : A 896 GLN : amide:sc= -0.767 K(o=-0.77,f=-5!) USER MOD Single : A 897 HIS : no HD1:sc= -0.552 X(o=-0.55,f=-0.15) USER MOD Single : A 901 THR OG1 : rot -98:sc= 0.0421 USER MOD Single : A 903 TYR OH : rot 180:sc= 0 USER MOD Single : A 905 SER OG : rot 180:sc= -0.211 USER MOD Single : A 910 TYR OH : rot 180:sc= 0 USER MOD Single : A 911 MET CE :methyl 153:sc= -0.6 (180deg=-1.11) USER MOD Single : A 912 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.5) USER MOD Single : A 914 THR OG1 : rot 180:sc= 0 USER MOD Single : A 919 ASN : amide:sc= 0.333 K(o=0.33,f=-4.9!) USER MOD Single : A 920 SER OG : rot 180:sc= 0 USER MOD Single : A 922 LYS NZ :NH3+ -125:sc= -0.0951 (180deg=-0.442) USER MOD Single : A 927 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.04) USER MOD Single : A 931 HIS : no HD1:sc= -3.52! C(o=-3.5!,f=-3!) USER MOD Single : A 941 LYS NZ :NH3+ 139:sc= 1.03 (180deg=-0.437) USER MOD Single : A 942 MET CE :methyl 152:sc= -0.124 (180deg=-1.45) USER MOD Single : A 943 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 946 LYS NZ :NH3+ 158:sc= -0.128 (180deg=-0.818) USER MOD Single : A 951 SER OG : rot 180:sc= -0.175 USER MOD Single : A 952 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 885 -28.110 -1.250 -11.128 1.00 0.00 N ATOM 2 CA GLY A 885 -29.048 -0.167 -10.897 1.00 0.00 C ATOM 3 C GLY A 885 -28.362 1.179 -10.773 1.00 0.00 C ATOM 4 O GLY A 885 -28.319 1.952 -11.730 1.00 0.00 O ATOM 0 HA2 GLY A 885 -29.766 -0.131 -11.717 1.00 0.00 H new ATOM 0 HA3 GLY A 885 -29.613 -0.368 -9.987 1.00 0.00 H new ATOM 8 N SER A 886 -27.824 1.461 -9.591 1.00 0.00 N ATOM 9 CA SER A 886 -27.140 2.725 -9.343 1.00 0.00 C ATOM 10 C SER A 886 -25.717 2.485 -8.850 1.00 0.00 C ATOM 11 O SER A 886 -25.492 2.230 -7.667 1.00 0.00 O ATOM 12 CB SER A 886 -27.914 3.556 -8.318 1.00 0.00 C ATOM 13 OG SER A 886 -28.041 2.860 -7.090 1.00 0.00 O ATOM 0 H SER A 886 -27.848 0.831 -8.789 1.00 0.00 H new ATOM 0 HA SER A 886 -27.092 3.274 -10.283 1.00 0.00 H new ATOM 0 HB2 SER A 886 -27.402 4.504 -8.152 1.00 0.00 H new ATOM 0 HB3 SER A 886 -28.903 3.793 -8.709 1.00 0.00 H new ATOM 0 HG SER A 886 -27.214 2.368 -6.906 1.00 0.00 H new ATOM 19 N SER A 887 -24.758 2.569 -9.767 1.00 0.00 N ATOM 20 CA SER A 887 -23.355 2.358 -9.427 1.00 0.00 C ATOM 21 C SER A 887 -22.485 3.475 -9.995 1.00 0.00 C ATOM 22 O SER A 887 -21.965 3.370 -11.105 1.00 0.00 O ATOM 23 CB SER A 887 -22.878 1.005 -9.958 1.00 0.00 C ATOM 24 OG SER A 887 -21.840 0.478 -9.151 1.00 0.00 O ATOM 0 H SER A 887 -24.927 2.781 -10.750 1.00 0.00 H new ATOM 0 HA SER A 887 -23.264 2.367 -8.341 1.00 0.00 H new ATOM 0 HB2 SER A 887 -23.714 0.306 -9.984 1.00 0.00 H new ATOM 0 HB3 SER A 887 -22.525 1.117 -10.983 1.00 0.00 H new ATOM 0 HG SER A 887 -21.554 -0.388 -9.510 1.00 0.00 H new ATOM 30 N GLY A 888 -22.330 4.547 -9.223 1.00 0.00 N ATOM 31 CA GLY A 888 -21.523 5.669 -9.664 1.00 0.00 C ATOM 32 C GLY A 888 -20.655 6.231 -8.555 1.00 0.00 C ATOM 33 O GLY A 888 -20.499 7.446 -8.435 1.00 0.00 O ATOM 0 H GLY A 888 -22.749 4.658 -8.300 1.00 0.00 H new ATOM 0 HA2 GLY A 888 -20.889 5.353 -10.493 1.00 0.00 H new ATOM 0 HA3 GLY A 888 -22.176 6.455 -10.044 1.00 0.00 H new ATOM 37 N SER A 889 -20.090 5.344 -7.742 1.00 0.00 N ATOM 38 CA SER A 889 -19.238 5.759 -6.633 1.00 0.00 C ATOM 39 C SER A 889 -17.974 6.442 -7.146 1.00 0.00 C ATOM 40 O SER A 889 -17.819 6.666 -8.346 1.00 0.00 O ATOM 41 CB SER A 889 -18.864 4.552 -5.770 1.00 0.00 C ATOM 42 OG SER A 889 -18.050 3.643 -6.490 1.00 0.00 O ATOM 0 H SER A 889 -20.207 4.335 -7.830 1.00 0.00 H new ATOM 0 HA SER A 889 -19.795 6.472 -6.026 1.00 0.00 H new ATOM 0 HB2 SER A 889 -18.337 4.889 -4.877 1.00 0.00 H new ATOM 0 HB3 SER A 889 -19.769 4.047 -5.434 1.00 0.00 H new ATOM 0 HG SER A 889 -17.823 2.882 -5.916 1.00 0.00 H new ATOM 48 N SER A 890 -17.072 6.772 -6.226 1.00 0.00 N ATOM 49 CA SER A 890 -15.823 7.433 -6.583 1.00 0.00 C ATOM 50 C SER A 890 -14.756 6.411 -6.964 1.00 0.00 C ATOM 51 O SER A 890 -13.564 6.634 -6.759 1.00 0.00 O ATOM 52 CB SER A 890 -15.327 8.295 -5.420 1.00 0.00 C ATOM 53 OG SER A 890 -14.139 8.984 -5.767 1.00 0.00 O ATOM 0 H SER A 890 -17.184 6.592 -5.228 1.00 0.00 H new ATOM 0 HA SER A 890 -16.013 8.072 -7.445 1.00 0.00 H new ATOM 0 HB2 SER A 890 -16.099 9.012 -5.140 1.00 0.00 H new ATOM 0 HB3 SER A 890 -15.145 7.666 -4.549 1.00 0.00 H new ATOM 0 HG SER A 890 -13.553 8.388 -6.279 1.00 0.00 H new ATOM 59 N GLY A 891 -15.196 5.286 -7.522 1.00 0.00 N ATOM 60 CA GLY A 891 -14.267 4.245 -7.923 1.00 0.00 C ATOM 61 C GLY A 891 -13.347 4.690 -9.043 1.00 0.00 C ATOM 62 O GLY A 891 -13.790 4.906 -10.170 1.00 0.00 O ATOM 0 H GLY A 891 -16.178 5.078 -7.703 1.00 0.00 H new ATOM 0 HA2 GLY A 891 -13.669 3.945 -7.063 1.00 0.00 H new ATOM 0 HA3 GLY A 891 -14.827 3.366 -8.244 1.00 0.00 H new ATOM 66 N GLN A 892 -12.062 4.828 -8.731 1.00 0.00 N ATOM 67 CA GLN A 892 -11.078 5.252 -9.719 1.00 0.00 C ATOM 68 C GLN A 892 -10.117 4.115 -10.053 1.00 0.00 C ATOM 69 O GLN A 892 -9.773 3.901 -11.216 1.00 0.00 O ATOM 70 CB GLN A 892 -10.296 6.462 -9.205 1.00 0.00 C ATOM 71 CG GLN A 892 -9.405 7.102 -10.257 1.00 0.00 C ATOM 72 CD GLN A 892 -10.196 7.766 -11.366 1.00 0.00 C ATOM 73 OE1 GLN A 892 -10.916 7.104 -12.113 1.00 0.00 O ATOM 74 NE2 GLN A 892 -10.065 9.083 -11.480 1.00 0.00 N ATOM 0 H GLN A 892 -11.679 4.652 -7.802 1.00 0.00 H new ATOM 0 HA GLN A 892 -11.611 5.532 -10.628 1.00 0.00 H new ATOM 0 HB2 GLN A 892 -10.999 7.208 -8.834 1.00 0.00 H new ATOM 0 HB3 GLN A 892 -9.682 6.154 -8.359 1.00 0.00 H new ATOM 0 HG2 GLN A 892 -8.762 7.842 -9.781 1.00 0.00 H new ATOM 0 HG3 GLN A 892 -8.753 6.342 -10.686 1.00 0.00 H new ATOM 0 HE21 GLN A 892 -9.457 9.592 -10.839 1.00 0.00 H new ATOM 0 HE22 GLN A 892 -10.572 9.585 -12.209 1.00 0.00 H new ATOM 83 N TYR A 893 -9.688 3.390 -9.027 1.00 0.00 N ATOM 84 CA TYR A 893 -8.764 2.276 -9.211 1.00 0.00 C ATOM 85 C TYR A 893 -8.751 1.371 -7.983 1.00 0.00 C ATOM 86 O TYR A 893 -9.088 1.798 -6.878 1.00 0.00 O ATOM 87 CB TYR A 893 -7.354 2.797 -9.489 1.00 0.00 C ATOM 88 CG TYR A 893 -6.368 1.711 -9.855 1.00 0.00 C ATOM 89 CD1 TYR A 893 -6.629 0.832 -10.899 1.00 0.00 C ATOM 90 CD2 TYR A 893 -5.177 1.562 -9.155 1.00 0.00 C ATOM 91 CE1 TYR A 893 -5.732 -0.163 -11.236 1.00 0.00 C ATOM 92 CE2 TYR A 893 -4.273 0.571 -9.487 1.00 0.00 C ATOM 93 CZ TYR A 893 -4.555 -0.289 -10.528 1.00 0.00 C ATOM 94 OH TYR A 893 -3.658 -1.279 -10.860 1.00 0.00 O ATOM 0 H TYR A 893 -9.965 3.553 -8.059 1.00 0.00 H new ATOM 0 HA TYR A 893 -9.104 1.692 -10.067 1.00 0.00 H new ATOM 0 HB2 TYR A 893 -7.398 3.524 -10.300 1.00 0.00 H new ATOM 0 HB3 TYR A 893 -6.990 3.324 -8.607 1.00 0.00 H new ATOM 0 HD1 TYR A 893 -7.549 0.928 -11.457 1.00 0.00 H new ATOM 0 HD2 TYR A 893 -4.954 2.232 -8.338 1.00 0.00 H new ATOM 0 HE1 TYR A 893 -5.951 -0.839 -12.050 1.00 0.00 H new ATOM 0 HE2 TYR A 893 -3.351 0.470 -8.934 1.00 0.00 H new ATOM 0 HH TYR A 893 -2.881 -1.229 -10.265 1.00 0.00 H new ATOM 104 N CYS A 894 -8.360 0.117 -8.185 1.00 0.00 N ATOM 105 CA CYS A 894 -8.301 -0.851 -7.097 1.00 0.00 C ATOM 106 C CYS A 894 -6.855 -1.155 -6.716 1.00 0.00 C ATOM 107 O CYS A 894 -6.312 -2.197 -7.081 1.00 0.00 O ATOM 108 CB CYS A 894 -9.017 -2.143 -7.496 1.00 0.00 C ATOM 109 SG CYS A 894 -10.804 -1.943 -7.789 1.00 0.00 S ATOM 0 H CYS A 894 -8.079 -0.252 -9.093 1.00 0.00 H new ATOM 0 HA CYS A 894 -8.803 -0.418 -6.232 1.00 0.00 H new ATOM 0 HB2 CYS A 894 -8.554 -2.538 -8.400 1.00 0.00 H new ATOM 0 HB3 CYS A 894 -8.869 -2.885 -6.711 1.00 0.00 H new ATOM 0 HG CYS A 894 -11.320 -3.089 -8.123 1.00 0.00 H new ATOM 114 N TRP A 895 -6.238 -0.238 -5.980 1.00 0.00 N ATOM 115 CA TRP A 895 -4.855 -0.407 -5.549 1.00 0.00 C ATOM 116 C TRP A 895 -4.770 -0.540 -4.032 1.00 0.00 C ATOM 117 O TRP A 895 -4.486 0.430 -3.331 1.00 0.00 O ATOM 118 CB TRP A 895 -4.005 0.775 -6.018 1.00 0.00 C ATOM 119 CG TRP A 895 -4.436 2.086 -5.434 1.00 0.00 C ATOM 120 CD1 TRP A 895 -5.614 2.737 -5.662 1.00 0.00 C ATOM 121 CD2 TRP A 895 -3.691 2.905 -4.526 1.00 0.00 C ATOM 122 NE1 TRP A 895 -5.647 3.912 -4.951 1.00 0.00 N ATOM 123 CE2 TRP A 895 -4.480 4.038 -4.245 1.00 0.00 C ATOM 124 CE3 TRP A 895 -2.437 2.792 -3.922 1.00 0.00 C ATOM 125 CZ2 TRP A 895 -4.052 5.049 -3.388 1.00 0.00 C ATOM 126 CZ3 TRP A 895 -2.014 3.796 -3.071 1.00 0.00 C ATOM 127 CH2 TRP A 895 -2.820 4.912 -2.810 1.00 0.00 C ATOM 0 H TRP A 895 -6.673 0.630 -5.669 1.00 0.00 H new ATOM 0 HA TRP A 895 -4.470 -1.323 -5.998 1.00 0.00 H new ATOM 0 HB2 TRP A 895 -2.964 0.592 -5.753 1.00 0.00 H new ATOM 0 HB3 TRP A 895 -4.051 0.837 -7.105 1.00 0.00 H new ATOM 0 HD1 TRP A 895 -6.404 2.381 -6.307 1.00 0.00 H new ATOM 0 HE1 TRP A 895 -6.416 4.582 -4.949 1.00 0.00 H new ATOM 0 HE3 TRP A 895 -1.809 1.935 -4.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 895 -4.671 5.911 -3.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 895 -1.046 3.719 -2.599 1.00 0.00 H new ATOM 0 HH2 TRP A 895 -2.461 5.679 -2.139 1.00 0.00 H new ATOM 138 N GLN A 896 -5.017 -1.747 -3.534 1.00 0.00 N ATOM 139 CA GLN A 896 -4.968 -2.005 -2.099 1.00 0.00 C ATOM 140 C GLN A 896 -3.700 -2.766 -1.726 1.00 0.00 C ATOM 141 O GLN A 896 -3.607 -3.977 -1.934 1.00 0.00 O ATOM 142 CB GLN A 896 -6.201 -2.797 -1.660 1.00 0.00 C ATOM 143 CG GLN A 896 -6.331 -2.932 -0.152 1.00 0.00 C ATOM 144 CD GLN A 896 -6.789 -1.649 0.512 1.00 0.00 C ATOM 145 OE1 GLN A 896 -6.388 -0.554 0.116 1.00 0.00 O ATOM 146 NE2 GLN A 896 -7.635 -1.776 1.528 1.00 0.00 N ATOM 0 H GLN A 896 -5.253 -2.561 -4.102 1.00 0.00 H new ATOM 0 HA GLN A 896 -4.959 -1.045 -1.582 1.00 0.00 H new ATOM 0 HB2 GLN A 896 -7.094 -2.310 -2.051 1.00 0.00 H new ATOM 0 HB3 GLN A 896 -6.161 -3.792 -2.104 1.00 0.00 H new ATOM 0 HG2 GLN A 896 -7.039 -3.728 0.078 1.00 0.00 H new ATOM 0 HG3 GLN A 896 -5.370 -3.230 0.266 1.00 0.00 H new ATOM 0 HE21 GLN A 896 -7.942 -2.703 1.823 1.00 0.00 H new ATOM 0 HE22 GLN A 896 -7.978 -0.947 2.013 1.00 0.00 H new ATOM 155 N HIS A 897 -2.726 -2.050 -1.175 1.00 0.00 N ATOM 156 CA HIS A 897 -1.463 -2.658 -0.772 1.00 0.00 C ATOM 157 C HIS A 897 -0.963 -2.056 0.538 1.00 0.00 C ATOM 158 O HIS A 897 -1.566 -1.127 1.075 1.00 0.00 O ATOM 159 CB HIS A 897 -0.411 -2.472 -1.866 1.00 0.00 C ATOM 160 CG HIS A 897 -0.783 -3.110 -3.169 1.00 0.00 C ATOM 161 ND1 HIS A 897 -0.285 -4.329 -3.579 1.00 0.00 N ATOM 162 CD2 HIS A 897 -1.611 -2.693 -4.155 1.00 0.00 C ATOM 163 CE1 HIS A 897 -0.789 -4.633 -4.762 1.00 0.00 C ATOM 164 NE2 HIS A 897 -1.597 -3.657 -5.134 1.00 0.00 N ATOM 0 H HIS A 897 -2.787 -1.047 -0.997 1.00 0.00 H new ATOM 0 HA HIS A 897 -1.634 -3.724 -0.620 1.00 0.00 H new ATOM 0 HB2 HIS A 897 -0.249 -1.406 -2.026 1.00 0.00 H new ATOM 0 HB3 HIS A 897 0.536 -2.890 -1.523 1.00 0.00 H new ATOM 0 HD2 HIS A 897 -2.177 -1.774 -4.170 1.00 0.00 H new ATOM 0 HE1 HIS A 897 -0.576 -5.528 -5.328 1.00 0.00 H new ATOM 0 HE2 HIS A 897 -2.125 -3.624 -6.006 1.00 0.00 H new ATOM 172 N ARG A 898 0.141 -2.593 1.047 1.00 0.00 N ATOM 173 CA ARG A 898 0.720 -2.111 2.295 1.00 0.00 C ATOM 174 C ARG A 898 1.167 -0.658 2.160 1.00 0.00 C ATOM 175 O ARG A 898 1.260 -0.126 1.054 1.00 0.00 O ATOM 176 CB ARG A 898 1.906 -2.986 2.703 1.00 0.00 C ATOM 177 CG ARG A 898 1.501 -4.276 3.396 1.00 0.00 C ATOM 178 CD ARG A 898 0.955 -5.293 2.406 1.00 0.00 C ATOM 179 NE ARG A 898 0.265 -6.393 3.075 1.00 0.00 N ATOM 180 CZ ARG A 898 -0.697 -7.110 2.506 1.00 0.00 C ATOM 181 NH1 ARG A 898 -1.082 -6.845 1.265 1.00 0.00 N ATOM 182 NH2 ARG A 898 -1.278 -8.095 3.180 1.00 0.00 N ATOM 0 H ARG A 898 0.652 -3.362 0.614 1.00 0.00 H new ATOM 0 HA ARG A 898 -0.046 -2.167 3.068 1.00 0.00 H new ATOM 0 HB2 ARG A 898 2.490 -3.228 1.815 1.00 0.00 H new ATOM 0 HB3 ARG A 898 2.556 -2.416 3.366 1.00 0.00 H new ATOM 0 HG2 ARG A 898 2.362 -4.698 3.914 1.00 0.00 H new ATOM 0 HG3 ARG A 898 0.746 -4.062 4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 898 0.268 -4.798 1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 898 1.774 -5.690 1.806 1.00 0.00 H new ATOM 0 HE ARG A 898 0.537 -6.623 4.031 1.00 0.00 H new ATOM 0 HH11 ARG A 898 -0.639 -6.088 0.744 1.00 0.00 H new ATOM 0 HH12 ARG A 898 -1.821 -7.398 0.831 1.00 0.00 H new ATOM 0 HH21 ARG A 898 -0.986 -8.301 4.135 1.00 0.00 H new ATOM 0 HH22 ARG A 898 -2.017 -8.646 2.743 1.00 0.00 H new ATOM 196 N PHE A 899 1.443 -0.022 3.294 1.00 0.00 N ATOM 197 CA PHE A 899 1.880 1.369 3.304 1.00 0.00 C ATOM 198 C PHE A 899 3.398 1.462 3.419 1.00 0.00 C ATOM 199 O PHE A 899 4.037 0.710 4.155 1.00 0.00 O ATOM 200 CB PHE A 899 1.222 2.124 4.460 1.00 0.00 C ATOM 201 CG PHE A 899 1.398 3.614 4.381 1.00 0.00 C ATOM 202 CD1 PHE A 899 2.640 4.190 4.596 1.00 0.00 C ATOM 203 CD2 PHE A 899 0.322 4.438 4.092 1.00 0.00 C ATOM 204 CE1 PHE A 899 2.806 5.560 4.523 1.00 0.00 C ATOM 205 CE2 PHE A 899 0.482 5.809 4.018 1.00 0.00 C ATOM 206 CZ PHE A 899 1.725 6.371 4.235 1.00 0.00 C ATOM 0 H PHE A 899 1.372 -0.448 4.218 1.00 0.00 H new ATOM 0 HA PHE A 899 1.577 1.825 2.362 1.00 0.00 H new ATOM 0 HB2 PHE A 899 0.157 1.892 4.475 1.00 0.00 H new ATOM 0 HB3 PHE A 899 1.639 1.766 5.401 1.00 0.00 H new ATOM 0 HD1 PHE A 899 3.488 3.561 4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 899 -0.652 4.004 3.923 1.00 0.00 H new ATOM 0 HE1 PHE A 899 3.780 5.996 4.691 1.00 0.00 H new ATOM 0 HE2 PHE A 899 -0.364 6.440 3.791 1.00 0.00 H new ATOM 0 HZ PHE A 899 1.852 7.442 4.180 1.00 0.00 H new ATOM 216 N PRO A 900 3.991 2.407 2.674 1.00 0.00 N ATOM 217 CA PRO A 900 5.441 2.621 2.675 1.00 0.00 C ATOM 218 C PRO A 900 5.940 3.208 3.991 1.00 0.00 C ATOM 219 O PRO A 900 5.890 4.420 4.201 1.00 0.00 O ATOM 220 CB PRO A 900 5.653 3.616 1.531 1.00 0.00 C ATOM 221 CG PRO A 900 4.355 4.337 1.411 1.00 0.00 C ATOM 222 CD PRO A 900 3.291 3.338 1.773 1.00 0.00 C ATOM 0 HA PRO A 900 5.991 1.688 2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 900 6.469 4.304 1.751 1.00 0.00 H new ATOM 0 HB3 PRO A 900 5.909 3.104 0.603 1.00 0.00 H new ATOM 0 HG2 PRO A 900 4.324 5.199 2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 900 4.209 4.712 0.398 1.00 0.00 H new ATOM 0 HD2 PRO A 900 2.444 3.814 2.266 1.00 0.00 H new ATOM 0 HD3 PRO A 900 2.902 2.828 0.892 1.00 0.00 H new ATOM 230 N THR A 901 6.422 2.341 4.875 1.00 0.00 N ATOM 231 CA THR A 901 6.929 2.773 6.172 1.00 0.00 C ATOM 232 C THR A 901 7.650 4.111 6.061 1.00 0.00 C ATOM 233 O THR A 901 7.683 4.890 7.013 1.00 0.00 O ATOM 234 CB THR A 901 7.892 1.732 6.774 1.00 0.00 C ATOM 235 OG1 THR A 901 9.014 1.543 5.905 1.00 0.00 O ATOM 236 CG2 THR A 901 7.184 0.403 6.993 1.00 0.00 C ATOM 0 H THR A 901 6.472 1.335 4.717 1.00 0.00 H new ATOM 0 HA THR A 901 6.066 2.881 6.829 1.00 0.00 H new ATOM 0 HB THR A 901 8.238 2.104 7.738 1.00 0.00 H new ATOM 0 HG1 THR A 901 8.873 0.742 5.358 1.00 0.00 H new ATOM 0 HG21 THR A 901 7.884 -0.316 7.419 1.00 0.00 H new ATOM 0 HG22 THR A 901 6.348 0.545 7.678 1.00 0.00 H new ATOM 0 HG23 THR A 901 6.813 0.027 6.040 1.00 0.00 H new ATOM 244 N GLY A 902 8.227 4.373 4.892 1.00 0.00 N ATOM 245 CA GLY A 902 8.939 5.620 4.679 1.00 0.00 C ATOM 246 C GLY A 902 10.142 5.452 3.772 1.00 0.00 C ATOM 247 O GLY A 902 10.782 6.432 3.391 1.00 0.00 O ATOM 0 H GLY A 902 8.214 3.744 4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 902 8.260 6.353 4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 902 9.265 6.018 5.640 1.00 0.00 H new ATOM 251 N TYR A 903 10.451 4.208 3.426 1.00 0.00 N ATOM 252 CA TYR A 903 11.588 3.915 2.561 1.00 0.00 C ATOM 253 C TYR A 903 11.147 3.790 1.106 1.00 0.00 C ATOM 254 O TYR A 903 10.293 2.970 0.771 1.00 0.00 O ATOM 255 CB TYR A 903 12.277 2.625 3.009 1.00 0.00 C ATOM 256 CG TYR A 903 12.906 2.719 4.380 1.00 0.00 C ATOM 257 CD1 TYR A 903 12.136 3.001 5.502 1.00 0.00 C ATOM 258 CD2 TYR A 903 14.271 2.525 4.555 1.00 0.00 C ATOM 259 CE1 TYR A 903 12.707 3.088 6.757 1.00 0.00 C ATOM 260 CE2 TYR A 903 14.850 2.609 5.806 1.00 0.00 C ATOM 261 CZ TYR A 903 14.064 2.892 6.904 1.00 0.00 C ATOM 262 OH TYR A 903 14.636 2.977 8.152 1.00 0.00 O ATOM 0 H TYR A 903 9.930 3.386 3.731 1.00 0.00 H new ATOM 0 HA TYR A 903 12.294 4.742 2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 903 11.548 1.815 3.008 1.00 0.00 H new ATOM 0 HB3 TYR A 903 13.046 2.363 2.283 1.00 0.00 H new ATOM 0 HD1 TYR A 903 11.073 3.155 5.391 1.00 0.00 H new ATOM 0 HD2 TYR A 903 14.890 2.305 3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 903 12.094 3.308 7.618 1.00 0.00 H new ATOM 0 HE2 TYR A 903 15.912 2.454 5.924 1.00 0.00 H new ATOM 0 HH TYR A 903 15.599 2.812 8.082 1.00 0.00 H new ATOM 272 N PHE A 904 11.737 4.612 0.244 1.00 0.00 N ATOM 273 CA PHE A 904 11.407 4.595 -1.177 1.00 0.00 C ATOM 274 C PHE A 904 12.370 3.698 -1.949 1.00 0.00 C ATOM 275 O PHE A 904 13.094 4.161 -2.830 1.00 0.00 O ATOM 276 CB PHE A 904 11.445 6.015 -1.747 1.00 0.00 C ATOM 277 CG PHE A 904 11.358 6.061 -3.246 1.00 0.00 C ATOM 278 CD1 PHE A 904 10.278 5.500 -3.908 1.00 0.00 C ATOM 279 CD2 PHE A 904 12.357 6.664 -3.993 1.00 0.00 C ATOM 280 CE1 PHE A 904 10.195 5.541 -5.287 1.00 0.00 C ATOM 281 CE2 PHE A 904 12.279 6.709 -5.372 1.00 0.00 C ATOM 282 CZ PHE A 904 11.198 6.145 -6.020 1.00 0.00 C ATOM 0 H PHE A 904 12.446 5.298 0.504 1.00 0.00 H new ATOM 0 HA PHE A 904 10.400 4.194 -1.286 1.00 0.00 H new ATOM 0 HB2 PHE A 904 10.620 6.590 -1.325 1.00 0.00 H new ATOM 0 HB3 PHE A 904 12.367 6.501 -1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 904 9.492 5.025 -3.340 1.00 0.00 H new ATOM 0 HD2 PHE A 904 13.206 7.104 -3.492 1.00 0.00 H new ATOM 0 HE1 PHE A 904 9.347 5.101 -5.791 1.00 0.00 H new ATOM 0 HE2 PHE A 904 13.063 7.185 -5.942 1.00 0.00 H new ATOM 0 HZ PHE A 904 11.137 6.176 -7.098 1.00 0.00 H new ATOM 292 N SER A 905 12.372 2.413 -1.610 1.00 0.00 N ATOM 293 CA SER A 905 13.249 1.451 -2.268 1.00 0.00 C ATOM 294 C SER A 905 12.666 0.043 -2.191 1.00 0.00 C ATOM 295 O SER A 905 11.827 -0.246 -1.337 1.00 0.00 O ATOM 296 CB SER A 905 14.639 1.476 -1.629 1.00 0.00 C ATOM 297 OG SER A 905 15.166 2.791 -1.606 1.00 0.00 O ATOM 0 H SER A 905 11.777 2.014 -0.884 1.00 0.00 H new ATOM 0 HA SER A 905 13.334 1.733 -3.317 1.00 0.00 H new ATOM 0 HB2 SER A 905 14.583 1.086 -0.613 1.00 0.00 H new ATOM 0 HB3 SER A 905 15.310 0.822 -2.185 1.00 0.00 H new ATOM 0 HG SER A 905 16.054 2.780 -1.192 1.00 0.00 H new ATOM 303 N ILE A 906 13.117 -0.827 -3.087 1.00 0.00 N ATOM 304 CA ILE A 906 12.641 -2.205 -3.120 1.00 0.00 C ATOM 305 C ILE A 906 13.470 -3.094 -2.200 1.00 0.00 C ATOM 306 O ILE A 906 14.654 -2.841 -1.974 1.00 0.00 O ATOM 307 CB ILE A 906 12.685 -2.781 -4.548 1.00 0.00 C ATOM 308 CG1 ILE A 906 11.579 -2.161 -5.405 1.00 0.00 C ATOM 309 CG2 ILE A 906 12.548 -4.296 -4.512 1.00 0.00 C ATOM 310 CD1 ILE A 906 10.224 -2.801 -5.198 1.00 0.00 C ATOM 0 H ILE A 906 13.811 -0.603 -3.800 1.00 0.00 H new ATOM 0 HA ILE A 906 11.607 -2.191 -2.774 1.00 0.00 H new ATOM 0 HB ILE A 906 13.648 -2.533 -4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 906 11.508 -1.097 -5.178 1.00 0.00 H new ATOM 0 HG13 ILE A 906 11.855 -2.245 -6.456 1.00 0.00 H new ATOM 0 HG21 ILE A 906 12.581 -4.689 -5.528 1.00 0.00 H new ATOM 0 HG22 ILE A 906 13.367 -4.722 -3.932 1.00 0.00 H new ATOM 0 HG23 ILE A 906 11.598 -4.565 -4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 906 9.489 -2.312 -5.837 1.00 0.00 H new ATOM 0 HD12 ILE A 906 10.279 -3.859 -5.453 1.00 0.00 H new ATOM 0 HD13 ILE A 906 9.927 -2.694 -4.155 1.00 0.00 H new ATOM 322 N CYS A 907 12.841 -4.139 -1.672 1.00 0.00 N ATOM 323 CA CYS A 907 13.519 -5.068 -0.776 1.00 0.00 C ATOM 324 C CYS A 907 14.334 -6.088 -1.567 1.00 0.00 C ATOM 325 O CYS A 907 13.837 -6.696 -2.515 1.00 0.00 O ATOM 326 CB CYS A 907 12.501 -5.790 0.110 1.00 0.00 C ATOM 327 SG CYS A 907 13.214 -6.516 1.621 1.00 0.00 S ATOM 0 H CYS A 907 11.862 -4.364 -1.850 1.00 0.00 H new ATOM 0 HA CYS A 907 14.198 -4.495 -0.145 1.00 0.00 H new ATOM 0 HB2 CYS A 907 11.718 -5.087 0.392 1.00 0.00 H new ATOM 0 HB3 CYS A 907 12.026 -6.580 -0.471 1.00 0.00 H new ATOM 332 N ASP A 908 15.589 -6.269 -1.169 1.00 0.00 N ATOM 333 CA ASP A 908 16.474 -7.215 -1.839 1.00 0.00 C ATOM 334 C ASP A 908 16.085 -8.652 -1.505 1.00 0.00 C ATOM 335 O ASP A 908 16.264 -9.559 -2.319 1.00 0.00 O ATOM 336 CB ASP A 908 17.927 -6.960 -1.436 1.00 0.00 C ATOM 337 CG ASP A 908 18.911 -7.427 -2.491 1.00 0.00 C ATOM 338 OD1 ASP A 908 18.727 -7.069 -3.672 1.00 0.00 O ATOM 339 OD2 ASP A 908 19.864 -8.151 -2.134 1.00 0.00 O ATOM 0 H ASP A 908 16.016 -5.773 -0.386 1.00 0.00 H new ATOM 0 HA ASP A 908 16.373 -7.071 -2.915 1.00 0.00 H new ATOM 0 HB2 ASP A 908 18.070 -5.894 -1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 908 18.136 -7.472 -0.497 1.00 0.00 H new ATOM 344 N ARG A 909 15.553 -8.852 -0.304 1.00 0.00 N ATOM 345 CA ARG A 909 15.141 -10.179 0.138 1.00 0.00 C ATOM 346 C ARG A 909 13.926 -10.661 -0.649 1.00 0.00 C ATOM 347 O ARG A 909 13.821 -11.841 -0.987 1.00 0.00 O ATOM 348 CB ARG A 909 14.821 -10.165 1.634 1.00 0.00 C ATOM 349 CG ARG A 909 15.881 -9.478 2.478 1.00 0.00 C ATOM 350 CD ARG A 909 17.179 -10.271 2.497 1.00 0.00 C ATOM 351 NE ARG A 909 18.333 -9.425 2.787 1.00 0.00 N ATOM 352 CZ ARG A 909 19.460 -9.879 3.326 1.00 0.00 C ATOM 353 NH1 ARG A 909 19.582 -11.164 3.630 1.00 0.00 N ATOM 354 NH2 ARG A 909 20.466 -9.047 3.560 1.00 0.00 N ATOM 0 H ARG A 909 15.397 -8.112 0.381 1.00 0.00 H new ATOM 0 HA ARG A 909 15.966 -10.868 -0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 909 13.865 -9.664 1.788 1.00 0.00 H new ATOM 0 HB3 ARG A 909 14.702 -11.191 1.981 1.00 0.00 H new ATOM 0 HG2 ARG A 909 16.069 -8.479 2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 909 15.513 -9.355 3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 909 17.111 -11.060 3.246 1.00 0.00 H new ATOM 0 HD3 ARG A 909 17.320 -10.758 1.532 1.00 0.00 H new ATOM 0 HE ARG A 909 18.271 -8.432 2.564 1.00 0.00 H new ATOM 0 HH11 ARG A 909 18.810 -11.806 3.450 1.00 0.00 H new ATOM 0 HH12 ARG A 909 20.448 -11.510 4.044 1.00 0.00 H new ATOM 0 HH21 ARG A 909 20.375 -8.058 3.326 1.00 0.00 H new ATOM 0 HH22 ARG A 909 21.331 -9.396 3.974 1.00 0.00 H new ATOM 368 N TYR A 910 13.012 -9.742 -0.938 1.00 0.00 N ATOM 369 CA TYR A 910 11.803 -10.074 -1.682 1.00 0.00 C ATOM 370 C TYR A 910 12.108 -10.249 -3.167 1.00 0.00 C ATOM 371 O TYR A 910 11.708 -11.236 -3.782 1.00 0.00 O ATOM 372 CB TYR A 910 10.747 -8.984 -1.492 1.00 0.00 C ATOM 373 CG TYR A 910 9.483 -9.221 -2.288 1.00 0.00 C ATOM 374 CD1 TYR A 910 8.572 -10.199 -1.907 1.00 0.00 C ATOM 375 CD2 TYR A 910 9.200 -8.468 -3.420 1.00 0.00 C ATOM 376 CE1 TYR A 910 7.416 -10.419 -2.631 1.00 0.00 C ATOM 377 CE2 TYR A 910 8.046 -8.680 -4.150 1.00 0.00 C ATOM 378 CZ TYR A 910 7.157 -9.657 -3.751 1.00 0.00 C ATOM 379 OH TYR A 910 6.008 -9.872 -4.476 1.00 0.00 O ATOM 0 H TYR A 910 13.085 -8.761 -0.668 1.00 0.00 H new ATOM 0 HA TYR A 910 11.416 -11.017 -1.295 1.00 0.00 H new ATOM 0 HB2 TYR A 910 10.493 -8.916 -0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 910 11.173 -8.023 -1.780 1.00 0.00 H new ATOM 0 HD1 TYR A 910 8.771 -10.797 -1.030 1.00 0.00 H new ATOM 0 HD2 TYR A 910 9.894 -7.703 -3.735 1.00 0.00 H new ATOM 0 HE1 TYR A 910 6.719 -11.184 -2.322 1.00 0.00 H new ATOM 0 HE2 TYR A 910 7.841 -8.085 -5.027 1.00 0.00 H new ATOM 0 HH TYR A 910 5.978 -9.251 -5.233 1.00 0.00 H new ATOM 389 N MET A 911 12.821 -9.282 -3.735 1.00 0.00 N ATOM 390 CA MET A 911 13.183 -9.328 -5.147 1.00 0.00 C ATOM 391 C MET A 911 13.957 -10.603 -5.468 1.00 0.00 C ATOM 392 O MET A 911 13.666 -11.286 -6.449 1.00 0.00 O ATOM 393 CB MET A 911 14.017 -8.102 -5.523 1.00 0.00 C ATOM 394 CG MET A 911 13.184 -6.925 -6.004 1.00 0.00 C ATOM 395 SD MET A 911 12.429 -7.220 -7.614 1.00 0.00 S ATOM 396 CE MET A 911 10.705 -7.385 -7.154 1.00 0.00 C ATOM 0 H MET A 911 13.159 -8.457 -3.239 1.00 0.00 H new ATOM 0 HA MET A 911 12.264 -9.325 -5.732 1.00 0.00 H new ATOM 0 HB2 MET A 911 14.603 -7.792 -4.658 1.00 0.00 H new ATOM 0 HB3 MET A 911 14.724 -8.380 -6.305 1.00 0.00 H new ATOM 0 HG2 MET A 911 12.403 -6.715 -5.274 1.00 0.00 H new ATOM 0 HG3 MET A 911 13.814 -6.038 -6.060 1.00 0.00 H new ATOM 0 HE1 MET A 911 10.075 -7.096 -7.995 1.00 0.00 H new ATOM 0 HE2 MET A 911 10.498 -8.421 -6.885 1.00 0.00 H new ATOM 0 HE3 MET A 911 10.492 -6.739 -6.302 1.00 0.00 H new ATOM 406 N ASN A 912 14.945 -10.915 -4.636 1.00 0.00 N ATOM 407 CA ASN A 912 15.762 -12.107 -4.832 1.00 0.00 C ATOM 408 C ASN A 912 14.886 -13.346 -4.995 1.00 0.00 C ATOM 409 O ASN A 912 15.141 -14.192 -5.851 1.00 0.00 O ATOM 410 CB ASN A 912 16.718 -12.296 -3.653 1.00 0.00 C ATOM 411 CG ASN A 912 18.046 -11.596 -3.867 1.00 0.00 C ATOM 412 OD1 ASN A 912 19.104 -12.226 -3.839 1.00 0.00 O ATOM 413 ND2 ASN A 912 17.997 -10.287 -4.083 1.00 0.00 N ATOM 0 H ASN A 912 15.199 -10.359 -3.820 1.00 0.00 H new ATOM 0 HA ASN A 912 16.344 -11.972 -5.744 1.00 0.00 H new ATOM 0 HB2 ASN A 912 16.251 -11.914 -2.745 1.00 0.00 H new ATOM 0 HB3 ASN A 912 16.893 -13.361 -3.497 1.00 0.00 H new ATOM 0 HD21 ASN A 912 18.859 -9.762 -4.234 1.00 0.00 H new ATOM 0 HD22 ASN A 912 17.098 -9.806 -4.098 1.00 0.00 H new ATOM 420 N GLY A 913 13.852 -13.446 -4.165 1.00 0.00 N ATOM 421 CA GLY A 913 12.953 -14.584 -4.233 1.00 0.00 C ATOM 422 C GLY A 913 12.082 -14.709 -2.999 1.00 0.00 C ATOM 423 O GLY A 913 10.854 -14.688 -3.092 1.00 0.00 O ATOM 0 H GLY A 913 13.621 -12.760 -3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 913 12.318 -14.489 -5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 913 13.536 -15.497 -4.357 1.00 0.00 H new ATOM 427 N THR A 914 12.716 -14.841 -1.839 1.00 0.00 N ATOM 428 CA THR A 914 11.991 -14.973 -0.582 1.00 0.00 C ATOM 429 C THR A 914 12.542 -14.020 0.473 1.00 0.00 C ATOM 430 O THR A 914 13.752 -13.947 0.687 1.00 0.00 O ATOM 431 CB THR A 914 12.060 -16.414 -0.042 1.00 0.00 C ATOM 432 OG1 THR A 914 11.169 -16.565 1.069 1.00 0.00 O ATOM 433 CG2 THR A 914 13.477 -16.764 0.388 1.00 0.00 C ATOM 0 H THR A 914 13.731 -14.859 -1.744 1.00 0.00 H new ATOM 0 HA THR A 914 10.951 -14.720 -0.789 1.00 0.00 H new ATOM 0 HB THR A 914 11.761 -17.092 -0.842 1.00 0.00 H new ATOM 0 HG1 THR A 914 11.218 -17.484 1.405 1.00 0.00 H new ATOM 0 HG21 THR A 914 13.501 -17.786 0.766 1.00 0.00 H new ATOM 0 HG22 THR A 914 14.148 -16.677 -0.466 1.00 0.00 H new ATOM 0 HG23 THR A 914 13.798 -16.080 1.173 1.00 0.00 H new ATOM 441 N CYS A 915 11.646 -13.293 1.132 1.00 0.00 N ATOM 442 CA CYS A 915 12.041 -12.344 2.166 1.00 0.00 C ATOM 443 C CYS A 915 11.479 -12.753 3.524 1.00 0.00 C ATOM 444 O CYS A 915 10.351 -13.235 3.637 1.00 0.00 O ATOM 445 CB CYS A 915 11.562 -10.936 1.806 1.00 0.00 C ATOM 446 SG CYS A 915 11.530 -9.780 3.213 1.00 0.00 S ATOM 0 H CYS A 915 10.641 -13.343 0.968 1.00 0.00 H new ATOM 0 HA CYS A 915 13.129 -12.345 2.228 1.00 0.00 H new ATOM 0 HB2 CYS A 915 12.211 -10.530 1.031 1.00 0.00 H new ATOM 0 HB3 CYS A 915 10.561 -11.002 1.381 1.00 0.00 H new ATOM 451 N PRO A 916 12.282 -12.558 4.580 1.00 0.00 N ATOM 452 CA PRO A 916 11.886 -12.900 5.950 1.00 0.00 C ATOM 453 C PRO A 916 10.796 -11.977 6.484 1.00 0.00 C ATOM 454 O PRO A 916 9.815 -12.436 7.069 1.00 0.00 O ATOM 455 CB PRO A 916 13.179 -12.718 6.748 1.00 0.00 C ATOM 456 CG PRO A 916 13.976 -11.735 5.962 1.00 0.00 C ATOM 457 CD PRO A 916 13.639 -11.989 4.519 1.00 0.00 C ATOM 0 HA PRO A 916 11.466 -13.904 6.016 1.00 0.00 H new ATOM 0 HB2 PRO A 916 12.975 -12.348 7.753 1.00 0.00 H new ATOM 0 HB3 PRO A 916 13.712 -13.662 6.858 1.00 0.00 H new ATOM 0 HG2 PRO A 916 13.726 -10.713 6.247 1.00 0.00 H new ATOM 0 HG3 PRO A 916 15.043 -11.865 6.142 1.00 0.00 H new ATOM 0 HD2 PRO A 916 13.663 -11.070 3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 916 14.344 -12.680 4.057 1.00 0.00 H new ATOM 465 N GLU A 917 10.975 -10.676 6.280 1.00 0.00 N ATOM 466 CA GLU A 917 10.005 -9.690 6.742 1.00 0.00 C ATOM 467 C GLU A 917 8.599 -10.045 6.267 1.00 0.00 C ATOM 468 O GLU A 917 7.678 -10.187 7.070 1.00 0.00 O ATOM 469 CB GLU A 917 10.386 -8.295 6.245 1.00 0.00 C ATOM 470 CG GLU A 917 11.780 -7.859 6.664 1.00 0.00 C ATOM 471 CD GLU A 917 12.055 -8.116 8.133 1.00 0.00 C ATOM 472 OE1 GLU A 917 12.212 -9.297 8.509 1.00 0.00 O ATOM 473 OE2 GLU A 917 12.112 -7.137 8.907 1.00 0.00 O ATOM 0 H GLU A 917 11.782 -10.280 5.798 1.00 0.00 H new ATOM 0 HA GLU A 917 10.013 -9.694 7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 917 10.320 -8.276 5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 917 9.660 -7.574 6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 917 12.518 -8.388 6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 917 11.902 -6.796 6.456 1.00 0.00 H new ATOM 480 N GLY A 918 8.443 -10.187 4.954 1.00 0.00 N ATOM 481 CA GLY A 918 7.147 -10.523 4.393 1.00 0.00 C ATOM 482 C GLY A 918 6.341 -9.295 4.018 1.00 0.00 C ATOM 483 O GLY A 918 6.701 -8.567 3.094 1.00 0.00 O ATOM 0 H GLY A 918 9.191 -10.075 4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 918 7.288 -11.145 3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 918 6.585 -11.116 5.114 1.00 0.00 H new ATOM 487 N ASN A 919 5.247 -9.065 4.737 1.00 0.00 N ATOM 488 CA ASN A 919 4.387 -7.917 4.473 1.00 0.00 C ATOM 489 C ASN A 919 4.751 -6.744 5.378 1.00 0.00 C ATOM 490 O ASN A 919 4.633 -5.584 4.986 1.00 0.00 O ATOM 491 CB ASN A 919 2.919 -8.297 4.678 1.00 0.00 C ATOM 492 CG ASN A 919 2.628 -8.734 6.100 1.00 0.00 C ATOM 493 OD1 ASN A 919 3.378 -9.513 6.688 1.00 0.00 O ATOM 494 ND2 ASN A 919 1.532 -8.234 6.661 1.00 0.00 N ATOM 0 H ASN A 919 4.935 -9.658 5.506 1.00 0.00 H new ATOM 0 HA ASN A 919 4.537 -7.613 3.437 1.00 0.00 H new ATOM 0 HB2 ASN A 919 2.287 -7.445 4.426 1.00 0.00 H new ATOM 0 HB3 ASN A 919 2.656 -9.102 3.992 1.00 0.00 H new ATOM 0 HD21 ASN A 919 1.284 -8.493 7.616 1.00 0.00 H new ATOM 0 HD22 ASN A 919 0.939 -7.591 6.137 1.00 0.00 H new ATOM 501 N SER A 920 5.196 -7.056 6.591 1.00 0.00 N ATOM 502 CA SER A 920 5.575 -6.028 7.554 1.00 0.00 C ATOM 503 C SER A 920 7.018 -5.583 7.334 1.00 0.00 C ATOM 504 O SER A 920 7.722 -5.228 8.279 1.00 0.00 O ATOM 505 CB SER A 920 5.403 -6.549 8.982 1.00 0.00 C ATOM 506 OG SER A 920 5.089 -5.494 9.875 1.00 0.00 O ATOM 0 H SER A 920 5.303 -8.012 6.930 1.00 0.00 H new ATOM 0 HA SER A 920 4.921 -5.168 7.407 1.00 0.00 H new ATOM 0 HB2 SER A 920 4.612 -7.298 9.006 1.00 0.00 H new ATOM 0 HB3 SER A 920 6.319 -7.043 9.305 1.00 0.00 H new ATOM 0 HG SER A 920 4.983 -5.853 10.781 1.00 0.00 H new ATOM 512 N CYS A 921 7.452 -5.605 6.078 1.00 0.00 N ATOM 513 CA CYS A 921 8.810 -5.206 5.730 1.00 0.00 C ATOM 514 C CYS A 921 8.913 -3.689 5.595 1.00 0.00 C ATOM 515 O CYS A 921 7.918 -3.008 5.343 1.00 0.00 O ATOM 516 CB CYS A 921 9.243 -5.876 4.425 1.00 0.00 C ATOM 517 SG CYS A 921 11.047 -5.918 4.174 1.00 0.00 S ATOM 0 H CYS A 921 6.882 -5.895 5.284 1.00 0.00 H new ATOM 0 HA CYS A 921 9.474 -5.528 6.533 1.00 0.00 H new ATOM 0 HB2 CYS A 921 8.861 -6.897 4.409 1.00 0.00 H new ATOM 0 HB3 CYS A 921 8.783 -5.350 3.589 1.00 0.00 H new ATOM 522 N LYS A 922 10.123 -3.166 5.762 1.00 0.00 N ATOM 523 CA LYS A 922 10.358 -1.731 5.658 1.00 0.00 C ATOM 524 C LYS A 922 10.567 -1.319 4.204 1.00 0.00 C ATOM 525 O LYS A 922 10.307 -0.175 3.829 1.00 0.00 O ATOM 526 CB LYS A 922 11.576 -1.331 6.492 1.00 0.00 C ATOM 527 CG LYS A 922 12.891 -1.854 5.940 1.00 0.00 C ATOM 528 CD LYS A 922 14.044 -0.919 6.263 1.00 0.00 C ATOM 529 CE LYS A 922 14.739 -1.317 7.555 1.00 0.00 C ATOM 530 NZ LYS A 922 15.433 -2.628 7.431 1.00 0.00 N ATOM 0 H LYS A 922 10.957 -3.715 5.970 1.00 0.00 H new ATOM 0 HA LYS A 922 9.478 -1.215 6.041 1.00 0.00 H new ATOM 0 HB2 LYS A 922 11.624 -0.244 6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 922 11.446 -1.700 7.509 1.00 0.00 H new ATOM 0 HG2 LYS A 922 13.094 -2.841 6.356 1.00 0.00 H new ATOM 0 HG3 LYS A 922 12.811 -1.974 4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 922 14.763 -0.930 5.444 1.00 0.00 H new ATOM 0 HD3 LYS A 922 13.673 0.102 6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 922 15.461 -0.549 7.830 1.00 0.00 H new ATOM 0 HE3 LYS A 922 14.006 -1.369 8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 15.100 -3.269 8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 15.226 -3.044 6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 16.459 -2.488 7.527 1.00 0.00 H new ATOM 544 N PHE A 923 11.036 -2.258 3.389 1.00 0.00 N ATOM 545 CA PHE A 923 11.279 -1.992 1.976 1.00 0.00 C ATOM 546 C PHE A 923 10.084 -2.420 1.129 1.00 0.00 C ATOM 547 O PHE A 923 9.245 -3.204 1.571 1.00 0.00 O ATOM 548 CB PHE A 923 12.539 -2.722 1.507 1.00 0.00 C ATOM 549 CG PHE A 923 13.797 -2.227 2.162 1.00 0.00 C ATOM 550 CD1 PHE A 923 14.424 -1.078 1.710 1.00 0.00 C ATOM 551 CD2 PHE A 923 14.352 -2.912 3.231 1.00 0.00 C ATOM 552 CE1 PHE A 923 15.582 -0.620 2.311 1.00 0.00 C ATOM 553 CE2 PHE A 923 15.509 -2.459 3.836 1.00 0.00 C ATOM 554 CZ PHE A 923 16.125 -1.312 3.375 1.00 0.00 C ATOM 0 H PHE A 923 11.255 -3.210 3.683 1.00 0.00 H new ATOM 0 HA PHE A 923 11.423 -0.919 1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 923 12.429 -3.787 1.709 1.00 0.00 H new ATOM 0 HB3 PHE A 923 12.633 -2.611 0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 923 14.003 -0.533 0.878 1.00 0.00 H new ATOM 0 HD2 PHE A 923 13.875 -3.810 3.595 1.00 0.00 H new ATOM 0 HE1 PHE A 923 16.061 0.278 1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 923 15.931 -3.002 4.669 1.00 0.00 H new ATOM 0 HZ PHE A 923 17.030 -0.957 3.846 1.00 0.00 H new ATOM 564 N ALA A 924 10.015 -1.899 -0.092 1.00 0.00 N ATOM 565 CA ALA A 924 8.926 -2.228 -1.002 1.00 0.00 C ATOM 566 C ALA A 924 9.047 -3.662 -1.508 1.00 0.00 C ATOM 567 O ALA A 924 10.141 -4.225 -1.553 1.00 0.00 O ATOM 568 CB ALA A 924 8.902 -1.254 -2.171 1.00 0.00 C ATOM 0 H ALA A 924 10.701 -1.247 -0.473 1.00 0.00 H new ATOM 0 HA ALA A 924 7.988 -2.142 -0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 924 8.083 -1.512 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 924 8.759 -0.240 -1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 924 9.847 -1.311 -2.712 1.00 0.00 H new ATOM 574 N HIS A 925 7.915 -4.248 -1.888 1.00 0.00 N ATOM 575 CA HIS A 925 7.895 -5.617 -2.390 1.00 0.00 C ATOM 576 C HIS A 925 7.272 -5.676 -3.782 1.00 0.00 C ATOM 577 O HIS A 925 6.052 -5.736 -3.924 1.00 0.00 O ATOM 578 CB HIS A 925 7.120 -6.523 -1.433 1.00 0.00 C ATOM 579 CG HIS A 925 7.937 -7.011 -0.277 1.00 0.00 C ATOM 580 ND1 HIS A 925 7.676 -8.193 0.383 1.00 0.00 N ATOM 581 CD2 HIS A 925 9.016 -6.470 0.336 1.00 0.00 C ATOM 582 CE1 HIS A 925 8.558 -8.358 1.352 1.00 0.00 C ATOM 583 NE2 HIS A 925 9.383 -7.326 1.345 1.00 0.00 N ATOM 0 H HIS A 925 7.001 -3.796 -1.858 1.00 0.00 H new ATOM 0 HA HIS A 925 8.925 -5.968 -2.456 1.00 0.00 H new ATOM 0 HB2 HIS A 925 6.255 -5.980 -1.052 1.00 0.00 H new ATOM 0 HB3 HIS A 925 6.739 -7.381 -1.986 1.00 0.00 H new ATOM 0 HD1 HIS A 925 6.920 -8.839 0.158 1.00 0.00 H new ATOM 0 HD2 HIS A 925 9.498 -5.538 0.079 1.00 0.00 H new ATOM 0 HE1 HIS A 925 8.598 -9.194 2.034 1.00 0.00 H new ATOM 591 N GLY A 926 8.120 -5.657 -4.806 1.00 0.00 N ATOM 592 CA GLY A 926 7.633 -5.707 -6.173 1.00 0.00 C ATOM 593 C GLY A 926 7.556 -4.335 -6.812 1.00 0.00 C ATOM 594 O GLY A 926 6.862 -3.450 -6.315 1.00 0.00 O ATOM 0 H GLY A 926 9.135 -5.608 -4.714 1.00 0.00 H new ATOM 0 HA2 GLY A 926 8.289 -6.344 -6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 926 6.645 -6.167 -6.187 1.00 0.00 H new ATOM 598 N ASN A 927 8.273 -4.158 -7.917 1.00 0.00 N ATOM 599 CA ASN A 927 8.285 -2.882 -8.624 1.00 0.00 C ATOM 600 C ASN A 927 6.893 -2.256 -8.640 1.00 0.00 C ATOM 601 O ASN A 927 6.725 -1.084 -8.306 1.00 0.00 O ATOM 602 CB ASN A 927 8.786 -3.074 -10.057 1.00 0.00 C ATOM 603 CG ASN A 927 10.224 -3.553 -10.107 1.00 0.00 C ATOM 604 OD1 ASN A 927 11.157 -2.751 -10.123 1.00 0.00 O ATOM 605 ND2 ASN A 927 10.409 -4.868 -10.132 1.00 0.00 N ATOM 0 H ASN A 927 8.853 -4.881 -8.342 1.00 0.00 H new ATOM 0 HA ASN A 927 8.961 -2.209 -8.097 1.00 0.00 H new ATOM 0 HB2 ASN A 927 8.148 -3.794 -10.569 1.00 0.00 H new ATOM 0 HB3 ASN A 927 8.701 -2.132 -10.598 1.00 0.00 H new ATOM 0 HD21 ASN A 927 11.354 -5.249 -10.166 1.00 0.00 H new ATOM 0 HD22 ASN A 927 9.606 -5.496 -10.117 1.00 0.00 H new ATOM 612 N ALA A 928 5.899 -3.047 -9.029 1.00 0.00 N ATOM 613 CA ALA A 928 4.522 -2.572 -9.086 1.00 0.00 C ATOM 614 C ALA A 928 4.089 -1.982 -7.748 1.00 0.00 C ATOM 615 O ALA A 928 3.622 -0.846 -7.683 1.00 0.00 O ATOM 616 CB ALA A 928 3.590 -3.704 -9.493 1.00 0.00 C ATOM 0 H ALA A 928 6.021 -4.020 -9.309 1.00 0.00 H new ATOM 0 HA ALA A 928 4.466 -1.783 -9.836 1.00 0.00 H new ATOM 0 HB1 ALA A 928 2.565 -3.335 -9.532 1.00 0.00 H new ATOM 0 HB2 ALA A 928 3.879 -4.077 -10.476 1.00 0.00 H new ATOM 0 HB3 ALA A 928 3.658 -4.511 -8.764 1.00 0.00 H new ATOM 622 N GLU A 929 4.248 -2.763 -6.684 1.00 0.00 N ATOM 623 CA GLU A 929 3.871 -2.316 -5.348 1.00 0.00 C ATOM 624 C GLU A 929 4.458 -0.940 -5.048 1.00 0.00 C ATOM 625 O GLU A 929 3.753 -0.038 -4.593 1.00 0.00 O ATOM 626 CB GLU A 929 4.344 -3.324 -4.297 1.00 0.00 C ATOM 627 CG GLU A 929 3.571 -3.249 -2.991 1.00 0.00 C ATOM 628 CD GLU A 929 3.796 -4.462 -2.110 1.00 0.00 C ATOM 629 OE1 GLU A 929 3.147 -5.500 -2.355 1.00 0.00 O ATOM 630 OE2 GLU A 929 4.620 -4.373 -1.176 1.00 0.00 O ATOM 0 H GLU A 929 4.634 -3.706 -6.721 1.00 0.00 H new ATOM 0 HA GLU A 929 2.784 -2.244 -5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 929 4.255 -4.331 -4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 929 5.402 -3.155 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 929 3.867 -2.351 -2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 929 2.507 -3.154 -3.208 1.00 0.00 H new ATOM 637 N LEU A 930 5.751 -0.786 -5.307 1.00 0.00 N ATOM 638 CA LEU A 930 6.435 0.480 -5.065 1.00 0.00 C ATOM 639 C LEU A 930 5.641 1.647 -5.645 1.00 0.00 C ATOM 640 O LEU A 930 5.328 2.609 -4.943 1.00 0.00 O ATOM 641 CB LEU A 930 7.838 0.450 -5.674 1.00 0.00 C ATOM 642 CG LEU A 930 8.606 1.772 -5.656 1.00 0.00 C ATOM 643 CD1 LEU A 930 9.185 2.034 -4.274 1.00 0.00 C ATOM 644 CD2 LEU A 930 9.708 1.762 -6.705 1.00 0.00 C ATOM 0 H LEU A 930 6.348 -1.522 -5.685 1.00 0.00 H new ATOM 0 HA LEU A 930 6.517 0.620 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 930 8.427 -0.297 -5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 930 7.756 0.114 -6.708 1.00 0.00 H new ATOM 0 HG LEU A 930 7.912 2.577 -5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 930 9.728 2.979 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 930 8.377 2.085 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 930 9.866 1.226 -4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 930 10.244 2.711 -6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 930 10.401 0.947 -6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 930 9.269 1.621 -7.693 1.00 0.00 H new ATOM 656 N HIS A 931 5.317 1.553 -6.931 1.00 0.00 N ATOM 657 CA HIS A 931 4.557 2.600 -7.606 1.00 0.00 C ATOM 658 C HIS A 931 3.499 3.188 -6.677 1.00 0.00 C ATOM 659 O HIS A 931 3.432 4.402 -6.487 1.00 0.00 O ATOM 660 CB HIS A 931 3.893 2.045 -8.867 1.00 0.00 C ATOM 661 CG HIS A 931 4.833 1.291 -9.756 1.00 0.00 C ATOM 662 ND1 HIS A 931 4.408 0.393 -10.712 1.00 0.00 N ATOM 663 CD2 HIS A 931 6.185 1.306 -9.831 1.00 0.00 C ATOM 664 CE1 HIS A 931 5.456 -0.112 -11.336 1.00 0.00 C ATOM 665 NE2 HIS A 931 6.547 0.425 -10.820 1.00 0.00 N ATOM 0 H HIS A 931 5.568 0.764 -7.526 1.00 0.00 H new ATOM 0 HA HIS A 931 5.249 3.393 -7.888 1.00 0.00 H new ATOM 0 HB2 HIS A 931 3.074 1.387 -8.577 1.00 0.00 H new ATOM 0 HB3 HIS A 931 3.456 2.869 -9.430 1.00 0.00 H new ATOM 0 HD2 HIS A 931 6.854 1.900 -9.226 1.00 0.00 H new ATOM 0 HE1 HIS A 931 5.426 -0.840 -12.133 1.00 0.00 H new ATOM 0 HE2 HIS A 931 7.503 0.219 -11.109 1.00 0.00 H new ATOM 673 N GLU A 932 2.675 2.318 -6.101 1.00 0.00 N ATOM 674 CA GLU A 932 1.619 2.753 -5.193 1.00 0.00 C ATOM 675 C GLU A 932 2.208 3.448 -3.969 1.00 0.00 C ATOM 676 O GLU A 932 1.734 4.507 -3.556 1.00 0.00 O ATOM 677 CB GLU A 932 0.769 1.559 -4.755 1.00 0.00 C ATOM 678 CG GLU A 932 -0.203 1.080 -5.821 1.00 0.00 C ATOM 679 CD GLU A 932 0.497 0.424 -6.996 1.00 0.00 C ATOM 680 OE1 GLU A 932 1.302 -0.502 -6.764 1.00 0.00 O ATOM 681 OE2 GLU A 932 0.239 0.836 -8.146 1.00 0.00 O ATOM 0 H GLU A 932 2.718 1.309 -6.246 1.00 0.00 H new ATOM 0 HA GLU A 932 0.987 3.464 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 932 1.428 0.736 -4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 932 0.209 1.831 -3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 932 -0.902 0.371 -5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 932 -0.790 1.926 -6.179 1.00 0.00 H new ATOM 688 N TRP A 933 3.241 2.845 -3.393 1.00 0.00 N ATOM 689 CA TRP A 933 3.894 3.406 -2.215 1.00 0.00 C ATOM 690 C TRP A 933 4.304 4.854 -2.458 1.00 0.00 C ATOM 691 O TRP A 933 4.119 5.713 -1.597 1.00 0.00 O ATOM 692 CB TRP A 933 5.120 2.571 -1.840 1.00 0.00 C ATOM 693 CG TRP A 933 4.807 1.444 -0.904 1.00 0.00 C ATOM 694 CD1 TRP A 933 3.594 0.845 -0.719 1.00 0.00 C ATOM 695 CD2 TRP A 933 5.722 0.782 -0.023 1.00 0.00 C ATOM 696 NE1 TRP A 933 3.699 -0.150 0.224 1.00 0.00 N ATOM 697 CE2 TRP A 933 4.995 -0.208 0.665 1.00 0.00 C ATOM 698 CE3 TRP A 933 7.085 0.929 0.249 1.00 0.00 C ATOM 699 CZ2 TRP A 933 5.586 -1.045 1.608 1.00 0.00 C ATOM 700 CZ3 TRP A 933 7.670 0.098 1.185 1.00 0.00 C ATOM 701 CH2 TRP A 933 6.922 -0.879 1.855 1.00 0.00 C ATOM 0 H TRP A 933 3.645 1.968 -3.722 1.00 0.00 H new ATOM 0 HA TRP A 933 3.182 3.384 -1.390 1.00 0.00 H new ATOM 0 HB2 TRP A 933 5.567 2.166 -2.748 1.00 0.00 H new ATOM 0 HB3 TRP A 933 5.866 3.220 -1.380 1.00 0.00 H new ATOM 0 HD1 TRP A 933 2.685 1.113 -1.237 1.00 0.00 H new ATOM 0 HE1 TRP A 933 2.936 -0.748 0.543 1.00 0.00 H new ATOM 0 HE3 TRP A 933 7.670 1.678 -0.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 933 5.011 -1.798 2.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 933 8.722 0.203 1.404 1.00 0.00 H new ATOM 0 HH2 TRP A 933 7.409 -1.514 2.581 1.00 0.00 H new ATOM 712 N GLU A 934 4.863 5.117 -3.635 1.00 0.00 N ATOM 713 CA GLU A 934 5.299 6.463 -3.989 1.00 0.00 C ATOM 714 C GLU A 934 4.209 7.486 -3.686 1.00 0.00 C ATOM 715 O GLU A 934 4.484 8.564 -3.161 1.00 0.00 O ATOM 716 CB GLU A 934 5.677 6.527 -5.470 1.00 0.00 C ATOM 717 CG GLU A 934 7.013 5.876 -5.787 1.00 0.00 C ATOM 718 CD GLU A 934 7.162 5.534 -7.257 1.00 0.00 C ATOM 719 OE1 GLU A 934 6.129 5.444 -7.953 1.00 0.00 O ATOM 720 OE2 GLU A 934 8.312 5.358 -7.710 1.00 0.00 O ATOM 0 H GLU A 934 5.025 4.417 -4.359 1.00 0.00 H new ATOM 0 HA GLU A 934 6.175 6.703 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 934 4.897 6.041 -6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 934 5.708 7.570 -5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 934 7.819 6.547 -5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 934 7.120 4.968 -5.194 1.00 0.00 H new ATOM 727 N GLU A 935 2.970 7.139 -4.022 1.00 0.00 N ATOM 728 CA GLU A 935 1.838 8.028 -3.787 1.00 0.00 C ATOM 729 C GLU A 935 1.422 8.002 -2.319 1.00 0.00 C ATOM 730 O GLU A 935 1.298 9.047 -1.680 1.00 0.00 O ATOM 731 CB GLU A 935 0.655 7.629 -4.671 1.00 0.00 C ATOM 732 CG GLU A 935 0.975 7.640 -6.157 1.00 0.00 C ATOM 733 CD GLU A 935 0.902 9.030 -6.759 1.00 0.00 C ATOM 734 OE1 GLU A 935 1.806 9.845 -6.480 1.00 0.00 O ATOM 735 OE2 GLU A 935 -0.059 9.303 -7.508 1.00 0.00 O ATOM 0 H GLU A 935 2.725 6.250 -4.457 1.00 0.00 H new ATOM 0 HA GLU A 935 2.146 9.042 -4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 935 0.320 6.631 -4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 935 -0.175 8.309 -4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 935 1.974 7.233 -6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 935 0.278 6.985 -6.680 1.00 0.00 H new ATOM 742 N ARG A 936 1.206 6.801 -1.792 1.00 0.00 N ATOM 743 CA ARG A 936 0.802 6.639 -0.401 1.00 0.00 C ATOM 744 C ARG A 936 1.518 7.645 0.495 1.00 0.00 C ATOM 745 O ARG A 936 0.881 8.411 1.218 1.00 0.00 O ATOM 746 CB ARG A 936 1.097 5.215 0.075 1.00 0.00 C ATOM 747 CG ARG A 936 0.309 4.149 -0.668 1.00 0.00 C ATOM 748 CD ARG A 936 0.423 2.795 0.015 1.00 0.00 C ATOM 749 NE ARG A 936 -0.777 1.984 -0.173 1.00 0.00 N ATOM 750 CZ ARG A 936 -1.911 2.185 0.488 1.00 0.00 C ATOM 751 NH1 ARG A 936 -1.999 3.165 1.376 1.00 0.00 N ATOM 752 NH2 ARG A 936 -2.960 1.405 0.262 1.00 0.00 N ATOM 0 H ARG A 936 1.304 5.926 -2.307 1.00 0.00 H new ATOM 0 HA ARG A 936 -0.271 6.822 -0.337 1.00 0.00 H new ATOM 0 HB2 ARG A 936 2.162 5.015 -0.042 1.00 0.00 H new ATOM 0 HB3 ARG A 936 0.874 5.143 1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 936 -0.739 4.443 -0.724 1.00 0.00 H new ATOM 0 HG3 ARG A 936 0.674 4.073 -1.692 1.00 0.00 H new ATOM 0 HD2 ARG A 936 1.287 2.261 -0.381 1.00 0.00 H new ATOM 0 HD3 ARG A 936 0.599 2.940 1.081 1.00 0.00 H new ATOM 0 HE ARG A 936 -0.742 1.221 -0.849 1.00 0.00 H new ATOM 0 HH11 ARG A 936 -1.195 3.767 1.553 1.00 0.00 H new ATOM 0 HH12 ARG A 936 -2.871 3.317 1.882 1.00 0.00 H new ATOM 0 HH21 ARG A 936 -2.896 0.650 -0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 936 -3.830 1.561 0.771 1.00 0.00 H new ATOM 766 N ARG A 937 2.846 7.636 0.441 1.00 0.00 N ATOM 767 CA ARG A 937 3.649 8.547 1.249 1.00 0.00 C ATOM 768 C ARG A 937 3.435 9.993 0.812 1.00 0.00 C ATOM 769 O ARG A 937 3.054 10.844 1.616 1.00 0.00 O ATOM 770 CB ARG A 937 5.132 8.184 1.142 1.00 0.00 C ATOM 771 CG ARG A 937 6.005 8.882 2.172 1.00 0.00 C ATOM 772 CD ARG A 937 7.204 8.029 2.555 1.00 0.00 C ATOM 773 NE ARG A 937 7.977 8.627 3.640 1.00 0.00 N ATOM 774 CZ ARG A 937 8.924 9.540 3.452 1.00 0.00 C ATOM 775 NH1 ARG A 937 9.213 9.957 2.227 1.00 0.00 N ATOM 776 NH2 ARG A 937 9.584 10.037 4.490 1.00 0.00 N ATOM 0 H ARG A 937 3.388 7.009 -0.153 1.00 0.00 H new ATOM 0 HA ARG A 937 3.332 8.449 2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 937 5.243 7.106 1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 937 5.489 8.438 0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 937 6.349 9.836 1.773 1.00 0.00 H new ATOM 0 HG3 ARG A 937 5.415 9.102 3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 937 6.863 7.039 2.856 1.00 0.00 H new ATOM 0 HD3 ARG A 937 7.846 7.894 1.684 1.00 0.00 H new ATOM 0 HE ARG A 937 7.779 8.327 4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 937 8.708 9.577 1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 937 9.940 10.658 2.085 1.00 0.00 H new ATOM 0 HH21 ARG A 937 9.365 9.718 5.434 1.00 0.00 H new ATOM 0 HH22 ARG A 937 10.311 10.738 4.344 1.00 0.00 H new ATOM 790 N ASP A 938 3.684 10.263 -0.464 1.00 0.00 N ATOM 791 CA ASP A 938 3.519 11.606 -1.008 1.00 0.00 C ATOM 792 C ASP A 938 2.255 12.262 -0.460 1.00 0.00 C ATOM 793 O ASP A 938 2.292 13.392 0.026 1.00 0.00 O ATOM 794 CB ASP A 938 3.462 11.558 -2.535 1.00 0.00 C ATOM 795 CG ASP A 938 2.603 12.663 -3.118 1.00 0.00 C ATOM 796 OD1 ASP A 938 1.375 12.641 -2.892 1.00 0.00 O ATOM 797 OD2 ASP A 938 3.159 13.549 -3.800 1.00 0.00 O ATOM 0 H ASP A 938 4.001 9.570 -1.142 1.00 0.00 H new ATOM 0 HA ASP A 938 4.379 12.203 -0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 938 4.472 11.638 -2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 938 3.069 10.592 -2.851 1.00 0.00 H new ATOM 802 N ALA A 939 1.139 11.546 -0.542 1.00 0.00 N ATOM 803 CA ALA A 939 -0.135 12.058 -0.054 1.00 0.00 C ATOM 804 C ALA A 939 0.039 12.789 1.273 1.00 0.00 C ATOM 805 O ALA A 939 -0.595 13.818 1.514 1.00 0.00 O ATOM 806 CB ALA A 939 -1.138 10.923 0.094 1.00 0.00 C ATOM 0 H ALA A 939 1.091 10.609 -0.942 1.00 0.00 H new ATOM 0 HA ALA A 939 -0.515 12.772 -0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 939 -2.085 11.320 0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 939 -1.293 10.446 -0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 939 -0.755 10.189 0.803 1.00 0.00 H new ATOM 812 N LEU A 940 0.901 12.253 2.130 1.00 0.00 N ATOM 813 CA LEU A 940 1.158 12.855 3.433 1.00 0.00 C ATOM 814 C LEU A 940 1.611 14.304 3.285 1.00 0.00 C ATOM 815 O LEU A 940 1.030 15.211 3.880 1.00 0.00 O ATOM 816 CB LEU A 940 2.220 12.051 4.187 1.00 0.00 C ATOM 817 CG LEU A 940 1.949 10.553 4.333 1.00 0.00 C ATOM 818 CD1 LEU A 940 3.052 9.889 5.143 1.00 0.00 C ATOM 819 CD2 LEU A 940 0.593 10.317 4.981 1.00 0.00 C ATOM 0 H LEU A 940 1.434 11.403 1.946 1.00 0.00 H new ATOM 0 HA LEU A 940 0.228 12.842 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 940 3.175 12.179 3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 940 2.331 12.479 5.183 1.00 0.00 H new ATOM 0 HG LEU A 940 1.936 10.106 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 940 2.843 8.823 5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 940 4.008 10.028 4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 940 3.096 10.339 6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 940 0.417 9.246 5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 940 0.577 10.777 5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 940 -0.188 10.759 4.362 1.00 0.00 H new ATOM 831 N LYS A 941 2.650 14.514 2.484 1.00 0.00 N ATOM 832 CA LYS A 941 3.180 15.853 2.253 1.00 0.00 C ATOM 833 C LYS A 941 2.052 16.875 2.160 1.00 0.00 C ATOM 834 O LYS A 941 2.231 18.043 2.505 1.00 0.00 O ATOM 835 CB LYS A 941 4.014 15.879 0.970 1.00 0.00 C ATOM 836 CG LYS A 941 3.212 16.234 -0.270 1.00 0.00 C ATOM 837 CD LYS A 941 4.074 16.200 -1.520 1.00 0.00 C ATOM 838 CE LYS A 941 4.669 14.819 -1.749 1.00 0.00 C ATOM 839 NZ LYS A 941 5.414 14.743 -3.037 1.00 0.00 N ATOM 0 H LYS A 941 3.142 13.774 1.984 1.00 0.00 H new ATOM 0 HA LYS A 941 3.816 16.116 3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 941 4.823 16.599 1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 941 4.475 14.902 0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 941 2.382 15.536 -0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 941 2.779 17.227 -0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 941 3.475 16.487 -2.384 1.00 0.00 H new ATOM 0 HD3 LYS A 941 4.876 16.933 -1.430 1.00 0.00 H new ATOM 0 HE2 LYS A 941 5.340 14.571 -0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 941 3.872 14.075 -1.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 941 6.290 14.199 -2.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 941 4.823 14.274 -3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 941 5.650 15.703 -3.359 1.00 0.00 H new ATOM 853 N MET A 942 0.891 16.428 1.693 1.00 0.00 N ATOM 854 CA MET A 942 -0.266 17.305 1.558 1.00 0.00 C ATOM 855 C MET A 942 -0.318 18.316 2.699 1.00 0.00 C ATOM 856 O MET A 942 -0.642 19.486 2.491 1.00 0.00 O ATOM 857 CB MET A 942 -1.556 16.482 1.531 1.00 0.00 C ATOM 858 CG MET A 942 -1.915 15.871 2.876 1.00 0.00 C ATOM 859 SD MET A 942 -3.504 15.019 2.849 1.00 0.00 S ATOM 860 CE MET A 942 -3.009 13.365 3.326 1.00 0.00 C ATOM 0 H MET A 942 0.726 15.464 1.402 1.00 0.00 H new ATOM 0 HA MET A 942 -0.171 17.849 0.618 1.00 0.00 H new ATOM 0 HB2 MET A 942 -2.377 17.118 1.200 1.00 0.00 H new ATOM 0 HB3 MET A 942 -1.453 15.685 0.795 1.00 0.00 H new ATOM 0 HG2 MET A 942 -1.135 15.169 3.172 1.00 0.00 H new ATOM 0 HG3 MET A 942 -1.941 16.656 3.632 1.00 0.00 H new ATOM 0 HE1 MET A 942 -3.839 12.867 3.826 1.00 0.00 H new ATOM 0 HE2 MET A 942 -2.728 12.799 2.438 1.00 0.00 H new ATOM 0 HE3 MET A 942 -2.158 13.421 4.004 1.00 0.00 H new ATOM 870 N LYS A 943 0.002 17.859 3.904 1.00 0.00 N ATOM 871 CA LYS A 943 -0.008 18.723 5.078 1.00 0.00 C ATOM 872 C LYS A 943 1.401 19.205 5.410 1.00 0.00 C ATOM 873 O LYS A 943 1.592 20.336 5.859 1.00 0.00 O ATOM 874 CB LYS A 943 -0.600 17.981 6.279 1.00 0.00 C ATOM 875 CG LYS A 943 0.352 16.977 6.904 1.00 0.00 C ATOM 876 CD LYS A 943 -0.204 16.414 8.201 1.00 0.00 C ATOM 877 CE LYS A 943 0.734 15.382 8.808 1.00 0.00 C ATOM 878 NZ LYS A 943 0.037 14.510 9.793 1.00 0.00 N ATOM 0 H LYS A 943 0.272 16.894 4.094 1.00 0.00 H new ATOM 0 HA LYS A 943 -0.628 19.591 4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 943 -0.895 18.708 7.035 1.00 0.00 H new ATOM 0 HB3 LYS A 943 -1.506 17.463 5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 943 0.536 16.163 6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 943 1.312 17.456 7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 943 -0.364 17.225 8.912 1.00 0.00 H new ATOM 0 HD3 LYS A 943 -1.176 15.958 8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 943 1.159 14.767 8.015 1.00 0.00 H new ATOM 0 HE3 LYS A 943 1.565 15.890 9.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 943 0.710 13.820 10.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 943 -0.347 15.094 10.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 943 -0.740 14.005 9.321 1.00 0.00 H new ATOM 892 N LEU A 944 2.385 18.341 5.186 1.00 0.00 N ATOM 893 CA LEU A 944 3.777 18.680 5.459 1.00 0.00 C ATOM 894 C LEU A 944 4.445 19.280 4.226 1.00 0.00 C ATOM 895 O LEU A 944 4.874 18.558 3.327 1.00 0.00 O ATOM 896 CB LEU A 944 4.545 17.437 5.915 1.00 0.00 C ATOM 897 CG LEU A 944 3.960 16.689 7.113 1.00 0.00 C ATOM 898 CD1 LEU A 944 4.890 15.567 7.548 1.00 0.00 C ATOM 899 CD2 LEU A 944 3.702 17.648 8.266 1.00 0.00 C ATOM 0 H LEU A 944 2.245 17.401 4.816 1.00 0.00 H new ATOM 0 HA LEU A 944 3.794 19.424 6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 944 4.608 16.745 5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 944 5.565 17.734 6.160 1.00 0.00 H new ATOM 0 HG LEU A 944 3.009 16.249 6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 944 4.457 15.046 8.402 1.00 0.00 H new ATOM 0 HD12 LEU A 944 5.024 14.866 6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 944 5.857 15.984 7.830 1.00 0.00 H new ATOM 0 HD21 LEU A 944 3.286 17.098 9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 944 4.639 18.118 8.565 1.00 0.00 H new ATOM 0 HD23 LEU A 944 2.996 18.416 7.950 1.00 0.00 H new ATOM 911 N ASN A 945 4.530 20.606 4.192 1.00 0.00 N ATOM 912 CA ASN A 945 5.147 21.303 3.069 1.00 0.00 C ATOM 913 C ASN A 945 6.668 21.203 3.136 1.00 0.00 C ATOM 914 O ASN A 945 7.277 21.513 4.159 1.00 0.00 O ATOM 915 CB ASN A 945 4.721 22.773 3.059 1.00 0.00 C ATOM 916 CG ASN A 945 4.764 23.377 1.668 1.00 0.00 C ATOM 917 OD1 ASN A 945 5.621 24.207 1.367 1.00 0.00 O ATOM 918 ND2 ASN A 945 3.835 22.962 0.814 1.00 0.00 N ATOM 0 H ASN A 945 4.180 21.219 4.928 1.00 0.00 H new ATOM 0 HA ASN A 945 4.810 20.827 2.148 1.00 0.00 H new ATOM 0 HB2 ASN A 945 3.710 22.859 3.458 1.00 0.00 H new ATOM 0 HB3 ASN A 945 5.374 23.343 3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 945 3.813 23.334 -0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 945 3.144 22.272 1.108 1.00 0.00 H new ATOM 925 N LYS A 946 7.275 20.767 2.037 1.00 0.00 N ATOM 926 CA LYS A 946 8.725 20.627 1.968 1.00 0.00 C ATOM 927 C LYS A 946 9.390 21.976 1.710 1.00 0.00 C ATOM 928 O LYS A 946 8.790 22.870 1.115 1.00 0.00 O ATOM 929 CB LYS A 946 9.110 19.637 0.867 1.00 0.00 C ATOM 930 CG LYS A 946 8.671 18.211 1.150 1.00 0.00 C ATOM 931 CD LYS A 946 8.517 17.411 -0.133 1.00 0.00 C ATOM 932 CE LYS A 946 7.103 17.506 -0.684 1.00 0.00 C ATOM 933 NZ LYS A 946 6.925 18.705 -1.549 1.00 0.00 N ATOM 0 H LYS A 946 6.785 20.504 1.182 1.00 0.00 H new ATOM 0 HA LYS A 946 9.075 20.247 2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 946 8.669 19.964 -0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 946 10.192 19.656 0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 946 9.402 17.726 1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 946 7.724 18.221 1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 946 9.224 17.777 -0.878 1.00 0.00 H new ATOM 0 HD3 LYS A 946 8.765 16.367 0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 946 6.875 16.607 -1.257 1.00 0.00 H new ATOM 0 HE3 LYS A 946 6.393 17.545 0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 946 6.117 18.556 -2.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 946 6.747 19.539 -0.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 946 7.787 18.859 -2.111 1.00 0.00 H new ATOM 947 N ALA A 947 10.633 22.113 2.161 1.00 0.00 N ATOM 948 CA ALA A 947 11.380 23.351 1.975 1.00 0.00 C ATOM 949 C ALA A 947 10.717 24.508 2.714 1.00 0.00 C ATOM 950 O ALA A 947 10.668 25.631 2.212 1.00 0.00 O ATOM 951 CB ALA A 947 11.509 23.672 0.493 1.00 0.00 C ATOM 0 H ALA A 947 11.143 21.382 2.657 1.00 0.00 H new ATOM 0 HA ALA A 947 12.377 23.212 2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 947 12.069 24.599 0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 947 12.034 22.861 -0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 947 10.516 23.787 0.058 1.00 0.00 H new ATOM 957 N SER A 948 10.207 24.227 3.909 1.00 0.00 N ATOM 958 CA SER A 948 9.543 25.244 4.715 1.00 0.00 C ATOM 959 C SER A 948 10.411 25.649 5.902 1.00 0.00 C ATOM 960 O SER A 948 11.100 24.819 6.494 1.00 0.00 O ATOM 961 CB SER A 948 8.190 24.730 5.210 1.00 0.00 C ATOM 962 OG SER A 948 7.201 24.843 4.202 1.00 0.00 O ATOM 0 H SER A 948 10.241 23.303 4.340 1.00 0.00 H new ATOM 0 HA SER A 948 9.383 26.121 4.088 1.00 0.00 H new ATOM 0 HB2 SER A 948 8.284 23.688 5.517 1.00 0.00 H new ATOM 0 HB3 SER A 948 7.883 25.295 6.090 1.00 0.00 H new ATOM 0 HG SER A 948 7.396 24.210 3.480 1.00 0.00 H new ATOM 968 N GLY A 949 10.373 26.934 6.245 1.00 0.00 N ATOM 969 CA GLY A 949 11.161 27.428 7.359 1.00 0.00 C ATOM 970 C GLY A 949 10.988 26.587 8.609 1.00 0.00 C ATOM 971 O GLY A 949 9.875 26.371 9.089 1.00 0.00 O ATOM 0 H GLY A 949 9.811 27.641 5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 949 12.214 27.442 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 949 10.875 28.457 7.575 1.00 0.00 H new ATOM 975 N PRO A 950 12.110 26.095 9.155 1.00 0.00 N ATOM 976 CA PRO A 950 12.104 25.265 10.363 1.00 0.00 C ATOM 977 C PRO A 950 11.728 26.058 11.610 1.00 0.00 C ATOM 978 O PRO A 950 12.091 27.226 11.748 1.00 0.00 O ATOM 979 CB PRO A 950 13.549 24.770 10.460 1.00 0.00 C ATOM 980 CG PRO A 950 14.351 25.799 9.742 1.00 0.00 C ATOM 981 CD PRO A 950 13.471 26.313 8.636 1.00 0.00 C ATOM 0 HA PRO A 950 11.367 24.464 10.303 1.00 0.00 H new ATOM 0 HB2 PRO A 950 13.866 24.675 11.499 1.00 0.00 H new ATOM 0 HB3 PRO A 950 13.663 23.788 10.001 1.00 0.00 H new ATOM 0 HG2 PRO A 950 14.643 26.605 10.415 1.00 0.00 H new ATOM 0 HG3 PRO A 950 15.269 25.369 9.342 1.00 0.00 H new ATOM 0 HD2 PRO A 950 13.659 27.367 8.430 1.00 0.00 H new ATOM 0 HD3 PRO A 950 13.638 25.771 7.705 1.00 0.00 H new ATOM 989 N SER A 951 10.997 25.415 12.516 1.00 0.00 N ATOM 990 CA SER A 951 10.569 26.062 13.751 1.00 0.00 C ATOM 991 C SER A 951 11.584 25.832 14.865 1.00 0.00 C ATOM 992 O SER A 951 12.032 26.776 15.517 1.00 0.00 O ATOM 993 CB SER A 951 9.197 25.535 14.178 1.00 0.00 C ATOM 994 OG SER A 951 9.245 24.144 14.441 1.00 0.00 O ATOM 0 H SER A 951 10.689 24.448 12.418 1.00 0.00 H new ATOM 0 HA SER A 951 10.497 27.134 13.565 1.00 0.00 H new ATOM 0 HB2 SER A 951 8.861 26.065 15.069 1.00 0.00 H new ATOM 0 HB3 SER A 951 8.467 25.735 13.394 1.00 0.00 H new ATOM 0 HG SER A 951 8.357 23.832 14.714 1.00 0.00 H new ATOM 1000 N SER A 952 11.943 24.570 15.079 1.00 0.00 N ATOM 1001 CA SER A 952 12.903 24.214 16.117 1.00 0.00 C ATOM 1002 C SER A 952 14.332 24.473 15.649 1.00 0.00 C ATOM 1003 O SER A 952 14.580 24.677 14.461 1.00 0.00 O ATOM 1004 CB SER A 952 12.741 22.744 16.508 1.00 0.00 C ATOM 1005 OG SER A 952 11.794 22.595 17.552 1.00 0.00 O ATOM 0 H SER A 952 11.583 23.777 14.547 1.00 0.00 H new ATOM 0 HA SER A 952 12.706 24.839 16.988 1.00 0.00 H new ATOM 0 HB2 SER A 952 12.424 22.166 15.640 1.00 0.00 H new ATOM 0 HB3 SER A 952 13.703 22.341 16.825 1.00 0.00 H new ATOM 0 HG SER A 952 11.707 21.646 17.782 1.00 0.00 H new ATOM 1011 N GLY A 953 15.269 24.464 16.592 1.00 0.00 N ATOM 1012 CA GLY A 953 16.661 24.699 16.258 1.00 0.00 C ATOM 1013 C GLY A 953 17.216 23.649 15.316 1.00 0.00 C ATOM 1014 O GLY A 953 17.028 23.770 14.106 1.00 0.00 O ATOM 0 H GLY A 953 15.088 24.298 17.582 1.00 0.00 H new ATOM 0 HA2 GLY A 953 16.760 25.683 15.800 1.00 0.00 H new ATOM 0 HA3 GLY A 953 17.254 24.712 17.173 1.00 0.00 H new TER 1018 GLY A 953 HETATM 1019 ZN ZN A1085 11.349 -7.563 2.565 1.00 0.00 ZN