USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 658 hydrogens (19 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: P 4 M3L H2 : P 4 M3L N : P 3 THR C :(H bumps) USER MOD NoAdj-H: P 4 M3L H : P 4 M3L N : P 3 THR C :(H bumps) USER MOD NoAdj-H: A 893 HIS HD1 : A 893 HIS ND1 : A 941 ZNZN :(H bumps) USER MOD Single : A 851 SER OG : rot 180:sc= 0 USER MOD Single : A 852 HIS : no HD1:sc= -1.54! K(o=-1.5!,f=-0.056) USER MOD Single : A 853 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 855 MET CE :methyl -124:sc= 0 (180deg=-0.805) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -1.84! K(o=-1.8!,f=-1.1) USER MOD Single : A 866 GLN : amide:sc= -1.78! K(o=-1.8!,f=0) USER MOD Single : A 874 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 880 SER OG : rot -38:sc= 1.52 USER MOD Single : A 882 MET CE :methyl -141:sc= -0.177 (180deg=-0.727) USER MOD Single : A 885 CYS SG : rot -144:sc= -1.72! USER MOD Single : A 892 TYR OH : rot 55:sc= 1.04 USER MOD Single : A 900 MET CE :methyl 162:sc= -0.0914 (180deg=-0.517) USER MOD Single : A 907 MET CE :methyl -163:sc= -2.92! (180deg=-3.52!) USER MOD Single : A 908 GLN : amide:sc= -1.91 K(o=-1.9,f=-0.59) USER MOD Single : A 913 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 916 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.4!) USER MOD Single : A 917 LYS NZ :NH3+ -163:sc= 0.683 (180deg=-0.787!) USER MOD Single : A 919 LYS NZ :NH3+ 168:sc= -0.0361 (180deg=-0.22) USER MOD Single : A 920 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 922 LYS NZ :NH3+ 146:sc= -1.05 (180deg=-2.58!) USER MOD Single : A 923 LYS NZ :NH3+ 167:sc= 1.19 (180deg=0.881) USER MOD Single : A 924 HIS : no HD1:sc=-0.00468 X(o=-0.0047,f=-0.0047) USER MOD Single : P 1 ALA N :NH3+ 157:sc= 1.98 (180deg=0.404) USER MOD Single : P 3 THR OG1 : rot -140:sc= 0.0173 USER MOD Single : P 5 GLN : amide:sc= -1.35 X(o=-1.4,f=-1.1) USER MOD Single : P 6 THR OG1 : rot -130:sc= -0.452 USER MOD Single : P 9 LYS NZ :NH3+ 168:sc= -0.0131 (180deg=-0.159) USER MOD Single : P 10 SER OG : rot 180:sc= 0 USER MOD Single : P 11 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 13.393 5.121 4.673 1.00 0.00 N ATOM 2 CA ALA P 1 12.606 5.044 3.460 1.00 0.00 C ATOM 3 C ALA P 1 11.246 4.597 3.844 1.00 0.00 C ATOM 4 O ALA P 1 11.032 3.420 4.115 1.00 0.00 O ATOM 5 CB ALA P 1 13.234 4.098 2.432 1.00 0.00 C ATOM 0 H1 ALA P 1 14.403 5.045 4.437 1.00 0.00 H new ATOM 0 H2 ALA P 1 13.215 6.031 5.145 1.00 0.00 H new ATOM 0 H3 ALA P 1 13.127 4.343 5.310 1.00 0.00 H new ATOM 0 HA ALA P 1 12.565 6.022 2.980 1.00 0.00 H new ATOM 0 HB1 ALA P 1 12.613 4.069 1.537 1.00 0.00 H new ATOM 0 HB2 ALA P 1 14.230 4.454 2.171 1.00 0.00 H new ATOM 0 HB3 ALA P 1 13.307 3.096 2.856 1.00 0.00 H new ATOM 13 N ARG P 2 10.334 5.522 3.945 1.00 0.00 N ATOM 14 CA ARG P 2 9.015 5.175 4.356 1.00 0.00 C ATOM 15 C ARG P 2 8.256 4.725 3.143 1.00 0.00 C ATOM 16 O ARG P 2 7.890 5.521 2.302 1.00 0.00 O ATOM 17 CB ARG P 2 8.321 6.350 5.054 1.00 0.00 C ATOM 18 CG ARG P 2 7.435 5.909 6.208 1.00 0.00 C ATOM 19 CD ARG P 2 7.045 7.066 7.125 1.00 0.00 C ATOM 20 NE ARG P 2 5.929 7.873 6.634 1.00 0.00 N ATOM 21 CZ ARG P 2 5.854 9.213 6.709 1.00 0.00 C ATOM 22 NH1 ARG P 2 6.951 9.935 6.921 1.00 0.00 N ATOM 23 NH2 ARG P 2 4.684 9.823 6.521 1.00 0.00 N ATOM 0 H ARG P 2 10.483 6.512 3.749 1.00 0.00 H new ATOM 0 HA ARG P 2 9.052 4.367 5.086 1.00 0.00 H new ATOM 0 HB2 ARG P 2 9.076 7.043 5.426 1.00 0.00 H new ATOM 0 HB3 ARG P 2 7.719 6.894 4.327 1.00 0.00 H new ATOM 0 HG2 ARG P 2 6.532 5.445 5.811 1.00 0.00 H new ATOM 0 HG3 ARG P 2 7.955 5.148 6.790 1.00 0.00 H new ATOM 0 HD2 ARG P 2 6.785 6.666 8.105 1.00 0.00 H new ATOM 0 HD3 ARG P 2 7.912 7.712 7.264 1.00 0.00 H new ATOM 0 HE ARG P 2 5.147 7.381 6.201 1.00 0.00 H new ATOM 0 HH11 ARG P 2 7.854 9.472 7.027 1.00 0.00 H new ATOM 0 HH12 ARG P 2 6.890 10.952 6.977 1.00 0.00 H new ATOM 0 HH21 ARG P 2 3.849 9.273 6.321 1.00 0.00 H new ATOM 0 HH22 ARG P 2 4.624 10.840 6.577 1.00 0.00 H new ATOM 37 N THR P 3 8.149 3.461 3.000 1.00 0.00 N ATOM 38 CA THR P 3 7.458 2.871 1.918 1.00 0.00 C ATOM 39 C THR P 3 6.164 2.279 2.398 1.00 0.00 C ATOM 40 O THR P 3 6.133 1.535 3.387 1.00 0.00 O ATOM 41 CB THR P 3 8.336 1.805 1.280 1.00 0.00 C ATOM 42 OG1 THR P 3 8.987 1.062 2.335 1.00 0.00 O ATOM 43 CG2 THR P 3 9.374 2.450 0.385 1.00 0.00 C ATOM 0 H THR P 3 8.551 2.786 3.651 1.00 0.00 H new ATOM 0 HA THR P 3 7.229 3.631 1.171 1.00 0.00 H new ATOM 0 HB THR P 3 7.727 1.137 0.671 1.00 0.00 H new ATOM 0 HG1 THR P 3 9.913 0.872 2.078 1.00 0.00 H new ATOM 0 HG21 THR P 3 9.996 1.677 -0.066 1.00 0.00 H new ATOM 0 HG22 THR P 3 8.875 3.018 -0.400 1.00 0.00 H new ATOM 0 HG23 THR P 3 9.999 3.120 0.976 1.00 0.00 H new HETATM 51 N M3L P 4 5.104 2.624 1.750 1.00 0.00 N HETATM 52 CA M3L P 4 3.817 2.125 2.114 1.00 0.00 C HETATM 53 CB M3L P 4 3.103 3.073 3.095 1.00 0.00 C HETATM 54 CG M3L P 4 3.148 4.533 2.698 1.00 0.00 C HETATM 55 CD M3L P 4 1.769 5.078 2.402 1.00 0.00 C HETATM 56 CE M3L P 4 1.834 6.123 1.291 1.00 0.00 C HETATM 57 NZ M3L P 4 0.750 7.186 1.453 1.00 0.00 N HETATM 58 C M3L P 4 2.991 1.939 0.885 1.00 0.00 C HETATM 59 O M3L P 4 3.226 2.602 -0.140 1.00 0.00 O HETATM 60 CM1 M3L P 4 1.010 8.307 0.477 1.00 0.00 C HETATM 61 CM2 M3L P 4 -0.618 6.575 1.150 1.00 0.00 C HETATM 62 CM3 M3L P 4 0.769 7.750 2.871 1.00 0.00 C HETATM 0 HM33 M3L P 4 0.588 6.946 3.585 1.00 0.00 H new HETATM 0 HM32 M3L P 4 1.741 8.200 3.070 1.00 0.00 H new HETATM 0 HM31 M3L P 4 -0.009 8.507 2.972 1.00 0.00 H new HETATM 0 HM23 M3L P 4 -0.630 6.199 0.127 1.00 0.00 H new HETATM 0 HM22 M3L P 4 -0.811 5.754 1.840 1.00 0.00 H new HETATM 0 HM21 M3L P 4 -1.390 7.336 1.266 1.00 0.00 H new HETATM 0 HM13 M3L P 4 1.987 8.746 0.679 1.00 0.00 H new HETATM 0 HM12 M3L P 4 0.991 7.916 -0.540 1.00 0.00 H new HETATM 0 HM11 M3L P 4 0.240 9.071 0.586 1.00 0.00 H new HETATM 0 HG3 M3L P 4 3.604 5.114 3.500 1.00 0.00 H new HETATM 0 HG2 M3L P 4 3.782 4.651 1.819 1.00 0.00 H new HETATM 0 HE3 M3L P 4 2.814 6.599 1.296 1.00 0.00 H new HETATM 0 HE2 M3L P 4 1.722 5.633 0.324 1.00 0.00 H new HETATM 0 HD3 M3L P 4 1.106 4.265 2.106 1.00 0.00 H new HETATM 0 HD2 M3L P 4 1.346 5.522 3.303 1.00 0.00 H new HETATM 0 HB3 M3L P 4 2.061 2.765 3.185 1.00 0.00 H new HETATM 0 HB2 M3L P 4 3.554 2.963 4.081 1.00 0.00 H new HETATM 0 HA M3L P 4 3.949 1.167 2.617 1.00 0.00 H new ATOM 82 N GLN P 5 2.076 1.037 0.967 1.00 0.00 N ATOM 83 CA GLN P 5 1.166 0.777 -0.079 1.00 0.00 C ATOM 84 C GLN P 5 -0.202 0.624 0.551 1.00 0.00 C ATOM 85 O GLN P 5 -0.432 -0.285 1.344 1.00 0.00 O ATOM 86 CB GLN P 5 1.559 -0.486 -0.826 1.00 0.00 C ATOM 87 CG GLN P 5 0.735 -0.701 -2.062 1.00 0.00 C ATOM 88 CD GLN P 5 1.051 -1.985 -2.776 1.00 0.00 C ATOM 89 OE1 GLN P 5 1.462 -2.978 -2.175 1.00 0.00 O ATOM 90 NE2 GLN P 5 0.831 -1.994 -4.049 1.00 0.00 N ATOM 0 H GLN P 5 1.941 0.447 1.788 1.00 0.00 H new ATOM 0 HA GLN P 5 1.166 1.591 -0.804 1.00 0.00 H new ATOM 0 HB2 GLN P 5 2.612 -0.429 -1.100 1.00 0.00 H new ATOM 0 HB3 GLN P 5 1.448 -1.345 -0.165 1.00 0.00 H new ATOM 0 HG2 GLN P 5 -0.321 -0.695 -1.791 1.00 0.00 H new ATOM 0 HG3 GLN P 5 0.893 0.134 -2.745 1.00 0.00 H new ATOM 0 HE21 GLN P 5 0.490 -1.152 -4.514 1.00 0.00 H new ATOM 0 HE22 GLN P 5 0.998 -2.843 -4.589 1.00 0.00 H new ATOM 99 N THR P 6 -1.078 1.511 0.232 1.00 0.00 N ATOM 100 CA THR P 6 -2.404 1.535 0.815 1.00 0.00 C ATOM 101 C THR P 6 -3.397 1.032 -0.244 1.00 0.00 C ATOM 102 O THR P 6 -4.581 1.371 -0.256 1.00 0.00 O ATOM 103 CB THR P 6 -2.711 2.992 1.227 1.00 0.00 C ATOM 104 OG1 THR P 6 -1.552 3.529 1.895 1.00 0.00 O ATOM 105 CG2 THR P 6 -3.897 3.072 2.177 1.00 0.00 C ATOM 0 H THR P 6 -0.908 2.254 -0.446 1.00 0.00 H new ATOM 0 HA THR P 6 -2.479 0.896 1.695 1.00 0.00 H new ATOM 0 HB THR P 6 -2.955 3.559 0.329 1.00 0.00 H new ATOM 0 HG1 THR P 6 -1.824 3.940 2.742 1.00 0.00 H new ATOM 0 HG21 THR P 6 -4.081 4.113 2.443 1.00 0.00 H new ATOM 0 HG22 THR P 6 -4.781 2.660 1.690 1.00 0.00 H new ATOM 0 HG23 THR P 6 -3.680 2.500 3.079 1.00 0.00 H new ATOM 113 N ALA P 7 -2.898 0.165 -1.071 1.00 0.00 N ATOM 114 CA ALA P 7 -3.606 -0.327 -2.206 1.00 0.00 C ATOM 115 C ALA P 7 -4.526 -1.458 -1.847 1.00 0.00 C ATOM 116 O ALA P 7 -4.200 -2.307 -1.006 1.00 0.00 O ATOM 117 CB ALA P 7 -2.616 -0.793 -3.247 1.00 0.00 C ATOM 0 H ALA P 7 -1.962 -0.228 -0.970 1.00 0.00 H new ATOM 0 HA ALA P 7 -4.218 0.485 -2.598 1.00 0.00 H new ATOM 0 HB1 ALA P 7 -3.153 -1.170 -4.117 1.00 0.00 H new ATOM 0 HB2 ALA P 7 -1.982 0.042 -3.546 1.00 0.00 H new ATOM 0 HB3 ALA P 7 -1.997 -1.588 -2.830 1.00 0.00 H new ATOM 123 N ARG P 8 -5.676 -1.455 -2.466 1.00 0.00 N ATOM 124 CA ARG P 8 -6.611 -2.551 -2.364 1.00 0.00 C ATOM 125 C ARG P 8 -6.298 -3.539 -3.470 1.00 0.00 C ATOM 126 O ARG P 8 -6.714 -4.691 -3.439 1.00 0.00 O ATOM 127 CB ARG P 8 -8.058 -2.069 -2.529 1.00 0.00 C ATOM 128 CG ARG P 8 -8.326 -1.329 -3.838 1.00 0.00 C ATOM 129 CD ARG P 8 -9.808 -1.201 -4.120 1.00 0.00 C ATOM 130 NE ARG P 8 -10.423 -2.520 -4.349 1.00 0.00 N ATOM 131 CZ ARG P 8 -11.444 -2.776 -5.181 1.00 0.00 C ATOM 132 NH1 ARG P 8 -12.033 -1.794 -5.865 1.00 0.00 N ATOM 133 NH2 ARG P 8 -11.872 -4.022 -5.317 1.00 0.00 N ATOM 0 H ARG P 8 -5.995 -0.689 -3.059 1.00 0.00 H new ATOM 0 HA ARG P 8 -6.514 -3.008 -1.379 1.00 0.00 H new ATOM 0 HB2 ARG P 8 -8.725 -2.929 -2.468 1.00 0.00 H new ATOM 0 HB3 ARG P 8 -8.308 -1.412 -1.696 1.00 0.00 H new ATOM 0 HG2 ARG P 8 -7.878 -0.336 -3.792 1.00 0.00 H new ATOM 0 HG3 ARG P 8 -7.844 -1.859 -4.660 1.00 0.00 H new ATOM 0 HD2 ARG P 8 -10.299 -0.709 -3.281 1.00 0.00 H new ATOM 0 HD3 ARG P 8 -9.961 -0.569 -4.995 1.00 0.00 H new ATOM 0 HE ARG P 8 -10.038 -3.309 -3.829 1.00 0.00 H new ATOM 0 HH11 ARG P 8 -11.708 -0.833 -5.759 1.00 0.00 H new ATOM 0 HH12 ARG P 8 -12.808 -2.004 -6.494 1.00 0.00 H new ATOM 0 HH21 ARG P 8 -11.426 -4.775 -4.792 1.00 0.00 H new ATOM 0 HH22 ARG P 8 -12.647 -4.229 -5.946 1.00 0.00 H new ATOM 147 N LYS P 9 -5.565 -3.060 -4.447 1.00 0.00 N ATOM 148 CA LYS P 9 -5.223 -3.819 -5.603 1.00 0.00 C ATOM 149 C LYS P 9 -3.727 -3.727 -5.852 1.00 0.00 C ATOM 150 O LYS P 9 -3.203 -2.639 -6.123 1.00 0.00 O ATOM 151 CB LYS P 9 -5.984 -3.249 -6.803 1.00 0.00 C ATOM 152 CG LYS P 9 -5.684 -3.922 -8.122 1.00 0.00 C ATOM 153 CD LYS P 9 -6.369 -3.202 -9.265 1.00 0.00 C ATOM 154 CE LYS P 9 -6.040 -3.845 -10.594 1.00 0.00 C ATOM 155 NZ LYS P 9 -6.559 -5.226 -10.685 1.00 0.00 N ATOM 0 H LYS P 9 -5.188 -2.112 -4.451 1.00 0.00 H new ATOM 0 HA LYS P 9 -5.491 -4.865 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS P 9 -7.053 -3.326 -6.607 1.00 0.00 H new ATOM 0 HB3 LYS P 9 -5.752 -2.188 -6.892 1.00 0.00 H new ATOM 0 HG2 LYS P 9 -4.607 -3.938 -8.290 1.00 0.00 H new ATOM 0 HG3 LYS P 9 -6.017 -4.960 -8.089 1.00 0.00 H new ATOM 0 HD2 LYS P 9 -7.448 -3.213 -9.110 1.00 0.00 H new ATOM 0 HD3 LYS P 9 -6.059 -2.157 -9.277 1.00 0.00 H new ATOM 0 HE2 LYS P 9 -6.461 -3.246 -11.401 1.00 0.00 H new ATOM 0 HE3 LYS P 9 -4.959 -3.854 -10.735 1.00 0.00 H new ATOM 0 HZ1 LYS P 9 -6.494 -5.557 -11.669 1.00 0.00 H new ATOM 0 HZ2 LYS P 9 -5.996 -5.850 -10.072 1.00 0.00 H new ATOM 0 HZ3 LYS P 9 -7.552 -5.244 -10.378 1.00 0.00 H new ATOM 169 N SER P 10 -3.042 -4.835 -5.746 1.00 0.00 N ATOM 170 CA SER P 10 -1.637 -4.873 -6.048 1.00 0.00 C ATOM 171 C SER P 10 -1.492 -4.813 -7.561 1.00 0.00 C ATOM 172 O SER P 10 -1.737 -5.797 -8.260 1.00 0.00 O ATOM 173 CB SER P 10 -1.009 -6.149 -5.488 1.00 0.00 C ATOM 174 OG SER P 10 -1.274 -6.268 -4.093 1.00 0.00 O ATOM 0 H SER P 10 -3.438 -5.728 -5.451 1.00 0.00 H new ATOM 0 HA SER P 10 -1.120 -4.030 -5.589 1.00 0.00 H new ATOM 0 HB2 SER P 10 -1.406 -7.017 -6.014 1.00 0.00 H new ATOM 0 HB3 SER P 10 0.067 -6.137 -5.659 1.00 0.00 H new ATOM 0 HG SER P 10 -0.866 -7.091 -3.752 1.00 0.00 H new ATOM 180 N THR P 11 -1.177 -3.652 -8.064 1.00 0.00 N ATOM 181 CA THR P 11 -1.129 -3.464 -9.472 1.00 0.00 C ATOM 182 C THR P 11 0.297 -3.576 -9.995 1.00 0.00 C ATOM 183 O THR P 11 1.069 -2.617 -9.937 1.00 0.00 O ATOM 184 CB THR P 11 -1.720 -2.096 -9.848 1.00 0.00 C ATOM 185 OG1 THR P 11 -2.947 -1.905 -9.115 1.00 0.00 O ATOM 186 CG2 THR P 11 -2.022 -2.028 -11.343 1.00 0.00 C ATOM 0 H THR P 11 -0.951 -2.825 -7.512 1.00 0.00 H new ATOM 0 HA THR P 11 -1.725 -4.251 -9.935 1.00 0.00 H new ATOM 0 HB THR P 11 -0.996 -1.319 -9.601 1.00 0.00 H new ATOM 0 HG1 THR P 11 -3.333 -1.034 -9.345 1.00 0.00 H new ATOM 0 HG21 THR P 11 -2.439 -1.051 -11.586 1.00 0.00 H new ATOM 0 HG22 THR P 11 -1.102 -2.180 -11.907 1.00 0.00 H new ATOM 0 HG23 THR P 11 -2.741 -2.805 -11.605 1.00 0.00 H new ATOM 194 N GLY P 12 0.665 -4.759 -10.406 1.00 0.00 N ATOM 195 CA GLY P 12 1.925 -4.933 -11.058 1.00 0.00 C ATOM 196 C GLY P 12 1.733 -4.699 -12.524 1.00 0.00 C ATOM 197 O GLY P 12 2.513 -4.002 -13.179 1.00 0.00 O ATOM 0 H GLY P 12 0.111 -5.609 -10.300 1.00 0.00 H new ATOM 0 HA2 GLY P 12 2.660 -4.236 -10.655 1.00 0.00 H new ATOM 0 HA3 GLY P 12 2.308 -5.938 -10.881 1.00 0.00 H new ATOM 201 N GLY P 13 0.648 -5.228 -13.001 1.00 0.00 N ATOM 202 CA GLY P 13 0.223 -5.112 -14.343 1.00 0.00 C ATOM 203 C GLY P 13 -1.158 -5.667 -14.384 1.00 0.00 C ATOM 204 O GLY P 13 -1.445 -6.544 -13.533 1.00 0.00 O ATOM 205 OXT GLY P 13 -1.978 -5.237 -15.186 1.00 0.00 O ATOM 0 H GLY P 13 0.010 -5.778 -12.427 1.00 0.00 H new ATOM 0 HA2 GLY P 13 0.235 -4.072 -14.668 1.00 0.00 H new ATOM 0 HA3 GLY P 13 0.885 -5.663 -15.011 1.00 0.00 H new TER 209 GLY P 13 ATOM 210 N GLY A 850 -3.611 29.649 9.140 1.00 0.00 N ATOM 211 CA GLY A 850 -3.284 30.028 10.517 1.00 0.00 C ATOM 212 C GLY A 850 -2.570 28.915 11.237 1.00 0.00 C ATOM 213 O GLY A 850 -3.169 28.200 12.047 1.00 0.00 O ATOM 0 HA2 GLY A 850 -2.658 30.921 10.512 1.00 0.00 H new ATOM 0 HA3 GLY A 850 -4.198 30.283 11.053 1.00 0.00 H new ATOM 219 N SER A 851 -1.291 28.778 10.933 1.00 0.00 N ATOM 220 CA SER A 851 -0.408 27.771 11.491 1.00 0.00 C ATOM 221 C SER A 851 -0.851 26.352 11.122 1.00 0.00 C ATOM 222 O SER A 851 -1.542 25.667 11.888 1.00 0.00 O ATOM 223 CB SER A 851 -0.238 27.954 13.001 1.00 0.00 C ATOM 224 OG SER A 851 0.189 29.286 13.286 1.00 0.00 O ATOM 0 H SER A 851 -0.822 29.389 10.265 1.00 0.00 H new ATOM 0 HA SER A 851 0.574 27.912 11.040 1.00 0.00 H new ATOM 0 HB2 SER A 851 -1.180 27.749 13.509 1.00 0.00 H new ATOM 0 HB3 SER A 851 0.492 27.240 13.382 1.00 0.00 H new ATOM 0 HG SER A 851 0.294 29.396 14.254 1.00 0.00 H new ATOM 230 N HIS A 852 -0.493 25.944 9.932 1.00 0.00 N ATOM 231 CA HIS A 852 -0.859 24.641 9.424 1.00 0.00 C ATOM 232 C HIS A 852 0.191 23.602 9.791 1.00 0.00 C ATOM 233 O HIS A 852 1.392 23.852 9.690 1.00 0.00 O ATOM 234 CB HIS A 852 -1.097 24.694 7.887 1.00 0.00 C ATOM 235 CG HIS A 852 0.047 25.269 7.070 1.00 0.00 C ATOM 236 ND1 HIS A 852 0.132 26.616 6.816 1.00 0.00 N ATOM 237 CD2 HIS A 852 1.094 24.643 6.484 1.00 0.00 C ATOM 238 CE1 HIS A 852 1.225 26.784 6.085 1.00 0.00 C ATOM 239 NE2 HIS A 852 1.841 25.618 5.857 1.00 0.00 N ATOM 0 H HIS A 852 0.061 26.504 9.285 1.00 0.00 H new ATOM 0 HA HIS A 852 -1.796 24.341 9.893 1.00 0.00 H new ATOM 0 HB2 HIS A 852 -1.302 23.684 7.533 1.00 0.00 H new ATOM 0 HB3 HIS A 852 -1.992 25.286 7.695 1.00 0.00 H new ATOM 0 HD2 HIS A 852 1.304 23.584 6.504 1.00 0.00 H new ATOM 0 HE1 HIS A 852 1.574 27.739 5.720 1.00 0.00 H new ATOM 0 HE2 HIS A 852 2.698 25.477 5.322 1.00 0.00 H new ATOM 247 N MET A 853 -0.255 22.456 10.255 1.00 0.00 N ATOM 248 CA MET A 853 0.654 21.376 10.585 1.00 0.00 C ATOM 249 C MET A 853 0.835 20.480 9.358 1.00 0.00 C ATOM 250 O MET A 853 1.738 19.638 9.297 1.00 0.00 O ATOM 251 CB MET A 853 0.136 20.571 11.793 1.00 0.00 C ATOM 252 CG MET A 853 1.114 19.513 12.304 1.00 0.00 C ATOM 253 SD MET A 853 2.687 20.236 12.829 1.00 0.00 S ATOM 254 CE MET A 853 3.620 18.765 13.258 1.00 0.00 C ATOM 0 H MET A 853 -1.241 22.246 10.413 1.00 0.00 H new ATOM 0 HA MET A 853 1.622 21.792 10.867 1.00 0.00 H new ATOM 0 HB2 MET A 853 -0.093 21.261 12.605 1.00 0.00 H new ATOM 0 HB3 MET A 853 -0.799 20.083 11.517 1.00 0.00 H new ATOM 0 HG2 MET A 853 0.664 18.978 13.141 1.00 0.00 H new ATOM 0 HG3 MET A 853 1.297 18.780 11.519 1.00 0.00 H new ATOM 0 HE1 MET A 853 4.614 19.052 13.600 1.00 0.00 H new ATOM 0 HE2 MET A 853 3.104 18.226 14.052 1.00 0.00 H new ATOM 0 HE3 MET A 853 3.709 18.122 12.382 1.00 0.00 H new ATOM 264 N ALA A 854 -0.015 20.693 8.374 1.00 0.00 N ATOM 265 CA ALA A 854 0.036 19.947 7.127 1.00 0.00 C ATOM 266 C ALA A 854 0.905 20.668 6.126 1.00 0.00 C ATOM 267 O ALA A 854 1.617 21.628 6.462 1.00 0.00 O ATOM 268 CB ALA A 854 -1.358 19.819 6.527 1.00 0.00 C ATOM 0 H ALA A 854 -0.761 21.387 8.413 1.00 0.00 H new ATOM 0 HA ALA A 854 0.444 18.960 7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -1.302 19.258 5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -2.009 19.295 7.227 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -1.762 20.812 6.330 1.00 0.00 H new ATOM 274 N MET A 855 0.836 20.215 4.916 1.00 0.00 N ATOM 275 CA MET A 855 1.478 20.831 3.819 1.00 0.00 C ATOM 276 C MET A 855 0.502 20.737 2.674 1.00 0.00 C ATOM 277 O MET A 855 -0.505 20.021 2.779 1.00 0.00 O ATOM 278 CB MET A 855 2.813 20.131 3.457 1.00 0.00 C ATOM 279 CG MET A 855 2.669 18.734 2.859 1.00 0.00 C ATOM 280 SD MET A 855 4.257 17.996 2.410 1.00 0.00 S ATOM 281 CE MET A 855 3.697 16.535 1.539 1.00 0.00 C ATOM 0 H MET A 855 0.311 19.377 4.664 1.00 0.00 H new ATOM 0 HA MET A 855 1.740 21.863 4.054 1.00 0.00 H new ATOM 0 HB2 MET A 855 3.354 20.759 2.749 1.00 0.00 H new ATOM 0 HB3 MET A 855 3.426 20.063 4.356 1.00 0.00 H new ATOM 0 HG2 MET A 855 2.163 18.087 3.576 1.00 0.00 H new ATOM 0 HG3 MET A 855 2.035 18.786 1.974 1.00 0.00 H new ATOM 0 HE1 MET A 855 4.132 15.648 1.999 1.00 0.00 H new ATOM 0 HE2 MET A 855 2.610 16.474 1.591 1.00 0.00 H new ATOM 0 HE3 MET A 855 4.007 16.592 0.496 1.00 0.00 H new ATOM 291 N ALA A 856 0.760 21.454 1.641 1.00 0.00 N ATOM 292 CA ALA A 856 -0.044 21.421 0.444 1.00 0.00 C ATOM 293 C ALA A 856 0.220 20.137 -0.335 1.00 0.00 C ATOM 294 O ALA A 856 0.973 19.276 0.123 1.00 0.00 O ATOM 295 CB ALA A 856 0.255 22.623 -0.414 1.00 0.00 C ATOM 0 H ALA A 856 1.549 22.098 1.589 1.00 0.00 H new ATOM 0 HA ALA A 856 -1.096 21.445 0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 856 -0.357 22.588 -1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 856 0.030 23.533 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 856 1.309 22.619 -0.691 1.00 0.00 H new ATOM 301 N TYR A 857 -0.402 20.023 -1.513 1.00 0.00 N ATOM 302 CA TYR A 857 -0.339 18.828 -2.367 1.00 0.00 C ATOM 303 C TYR A 857 -1.087 17.651 -1.748 1.00 0.00 C ATOM 304 O TYR A 857 -1.055 16.539 -2.257 1.00 0.00 O ATOM 305 CB TYR A 857 1.096 18.439 -2.697 1.00 0.00 C ATOM 306 CG TYR A 857 1.745 19.178 -3.860 1.00 0.00 C ATOM 307 CD1 TYR A 857 1.815 20.562 -3.902 1.00 0.00 C ATOM 308 CD2 TYR A 857 2.280 18.468 -4.929 1.00 0.00 C ATOM 309 CE1 TYR A 857 2.401 21.210 -4.972 1.00 0.00 C ATOM 310 CE2 TYR A 857 2.861 19.103 -5.994 1.00 0.00 C ATOM 311 CZ TYR A 857 2.921 20.471 -6.015 1.00 0.00 C ATOM 312 OH TYR A 857 3.498 21.101 -7.082 1.00 0.00 O ATOM 0 H TYR A 857 -0.973 20.770 -1.908 1.00 0.00 H new ATOM 0 HA TYR A 857 -0.836 19.088 -3.302 1.00 0.00 H new ATOM 0 HB2 TYR A 857 1.706 18.597 -1.808 1.00 0.00 H new ATOM 0 HB3 TYR A 857 1.120 17.371 -2.914 1.00 0.00 H new ATOM 0 HD1 TYR A 857 1.406 21.141 -3.087 1.00 0.00 H new ATOM 0 HD2 TYR A 857 2.236 17.389 -4.919 1.00 0.00 H new ATOM 0 HE1 TYR A 857 2.452 22.289 -4.992 1.00 0.00 H new ATOM 0 HE2 TYR A 857 3.269 18.529 -6.812 1.00 0.00 H new ATOM 0 HH TYR A 857 3.813 20.432 -7.725 1.00 0.00 H new ATOM 322 N VAL A 858 -1.759 17.911 -0.668 1.00 0.00 N ATOM 323 CA VAL A 858 -2.535 16.913 0.015 1.00 0.00 C ATOM 324 C VAL A 858 -3.994 17.235 -0.176 1.00 0.00 C ATOM 325 O VAL A 858 -4.525 18.177 0.436 1.00 0.00 O ATOM 326 CB VAL A 858 -2.225 16.871 1.529 1.00 0.00 C ATOM 327 CG1 VAL A 858 -2.938 15.707 2.198 1.00 0.00 C ATOM 328 CG2 VAL A 858 -0.737 16.800 1.776 1.00 0.00 C ATOM 0 H VAL A 858 -1.786 18.831 -0.229 1.00 0.00 H new ATOM 0 HA VAL A 858 -2.283 15.938 -0.402 1.00 0.00 H new ATOM 0 HB VAL A 858 -2.597 17.795 1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 858 -2.703 15.700 3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 858 -4.014 15.814 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 858 -2.608 14.771 1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 858 -0.547 16.772 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 858 -0.334 15.900 1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 858 -0.254 17.677 1.345 1.00 0.00 H new ATOM 338 N ILE A 859 -4.627 16.514 -1.032 1.00 0.00 N ATOM 339 CA ILE A 859 -6.018 16.745 -1.317 1.00 0.00 C ATOM 340 C ILE A 859 -6.824 15.557 -0.870 1.00 0.00 C ATOM 341 O ILE A 859 -6.262 14.543 -0.487 1.00 0.00 O ATOM 342 CB ILE A 859 -6.283 17.023 -2.829 1.00 0.00 C ATOM 343 CG1 ILE A 859 -5.847 15.827 -3.703 1.00 0.00 C ATOM 344 CG2 ILE A 859 -5.578 18.306 -3.266 1.00 0.00 C ATOM 345 CD1 ILE A 859 -6.175 15.981 -5.178 1.00 0.00 C ATOM 0 H ILE A 859 -4.207 15.748 -1.558 1.00 0.00 H new ATOM 0 HA ILE A 859 -6.320 17.638 -0.769 1.00 0.00 H new ATOM 0 HB ILE A 859 -7.356 17.156 -2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 859 -4.772 15.685 -3.594 1.00 0.00 H new ATOM 0 HG13 ILE A 859 -6.327 14.923 -3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 859 -5.773 18.486 -4.323 1.00 0.00 H new ATOM 0 HG22 ILE A 859 -5.953 19.145 -2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 859 -4.505 18.204 -3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 859 -5.836 15.098 -5.720 1.00 0.00 H new ATOM 0 HD12 ILE A 859 -7.252 16.091 -5.302 1.00 0.00 H new ATOM 0 HD13 ILE A 859 -5.673 16.864 -5.572 1.00 0.00 H new ATOM 357 N ARG A 860 -8.108 15.691 -0.865 1.00 0.00 N ATOM 358 CA ARG A 860 -8.964 14.584 -0.573 1.00 0.00 C ATOM 359 C ARG A 860 -9.576 14.076 -1.835 1.00 0.00 C ATOM 360 O ARG A 860 -9.844 14.862 -2.758 1.00 0.00 O ATOM 361 CB ARG A 860 -10.056 14.934 0.431 1.00 0.00 C ATOM 362 CG ARG A 860 -9.564 15.120 1.847 1.00 0.00 C ATOM 363 CD ARG A 860 -10.727 15.305 2.800 1.00 0.00 C ATOM 364 NE ARG A 860 -10.290 15.301 4.193 1.00 0.00 N ATOM 365 CZ ARG A 860 -11.072 15.026 5.247 1.00 0.00 C ATOM 366 NH1 ARG A 860 -12.375 14.799 5.086 1.00 0.00 N ATOM 367 NH2 ARG A 860 -10.546 14.992 6.460 1.00 0.00 N ATOM 0 H ARG A 860 -8.595 16.566 -1.062 1.00 0.00 H new ATOM 0 HA ARG A 860 -8.348 13.810 -0.116 1.00 0.00 H new ATOM 0 HB2 ARG A 860 -10.550 15.850 0.108 1.00 0.00 H new ATOM 0 HB3 ARG A 860 -10.808 14.145 0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 860 -8.975 14.254 2.149 1.00 0.00 H new ATOM 0 HG3 ARG A 860 -8.905 15.987 1.897 1.00 0.00 H new ATOM 0 HD2 ARG A 860 -11.232 16.246 2.580 1.00 0.00 H new ATOM 0 HD3 ARG A 860 -11.455 14.509 2.645 1.00 0.00 H new ATOM 0 HE ARG A 860 -9.313 15.525 4.379 1.00 0.00 H new ATOM 0 HH11 ARG A 860 -12.787 14.833 4.154 1.00 0.00 H new ATOM 0 HH12 ARG A 860 -12.960 14.591 5.895 1.00 0.00 H new ATOM 0 HH21 ARG A 860 -9.551 15.174 6.590 1.00 0.00 H new ATOM 0 HH22 ARG A 860 -11.136 14.783 7.266 1.00 0.00 H new ATOM 381 N ASP A 861 -9.765 12.785 -1.891 1.00 0.00 N ATOM 382 CA ASP A 861 -10.400 12.136 -3.017 1.00 0.00 C ATOM 383 C ASP A 861 -11.874 12.001 -2.706 1.00 0.00 C ATOM 384 O ASP A 861 -12.346 12.511 -1.678 1.00 0.00 O ATOM 385 CB ASP A 861 -9.809 10.732 -3.251 1.00 0.00 C ATOM 386 CG ASP A 861 -10.199 9.733 -2.179 1.00 0.00 C ATOM 387 OD1 ASP A 861 -10.077 10.035 -0.986 1.00 0.00 O ATOM 388 OD2 ASP A 861 -10.636 8.637 -2.518 1.00 0.00 O ATOM 0 H ASP A 861 -9.481 12.143 -1.151 1.00 0.00 H new ATOM 0 HA ASP A 861 -10.236 12.731 -3.915 1.00 0.00 H new ATOM 0 HB2 ASP A 861 -10.141 10.362 -4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 861 -8.722 10.805 -3.293 1.00 0.00 H new ATOM 393 N GLU A 862 -12.578 11.286 -3.546 1.00 0.00 N ATOM 394 CA GLU A 862 -14.003 11.064 -3.400 1.00 0.00 C ATOM 395 C GLU A 862 -14.354 10.352 -2.077 1.00 0.00 C ATOM 396 O GLU A 862 -15.444 10.539 -1.539 1.00 0.00 O ATOM 397 CB GLU A 862 -14.505 10.262 -4.588 1.00 0.00 C ATOM 398 CG GLU A 862 -13.866 8.895 -4.715 1.00 0.00 C ATOM 399 CD GLU A 862 -14.200 8.242 -6.003 1.00 0.00 C ATOM 400 OE1 GLU A 862 -15.283 7.629 -6.117 1.00 0.00 O ATOM 401 OE2 GLU A 862 -13.391 8.350 -6.942 1.00 0.00 O ATOM 0 H GLU A 862 -12.175 10.832 -4.366 1.00 0.00 H new ATOM 0 HA GLU A 862 -14.497 12.035 -3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -15.585 10.142 -4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -14.318 10.827 -5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -12.784 8.991 -4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -14.197 8.262 -3.891 1.00 0.00 H new ATOM 408 N TRP A 863 -13.443 9.539 -1.562 1.00 0.00 N ATOM 409 CA TRP A 863 -13.671 8.844 -0.330 1.00 0.00 C ATOM 410 C TRP A 863 -13.284 9.699 0.869 1.00 0.00 C ATOM 411 O TRP A 863 -13.811 9.520 1.978 1.00 0.00 O ATOM 412 CB TRP A 863 -12.924 7.513 -0.307 1.00 0.00 C ATOM 413 CG TRP A 863 -13.278 6.574 -1.433 1.00 0.00 C ATOM 414 CD1 TRP A 863 -12.411 5.909 -2.246 1.00 0.00 C ATOM 415 CD2 TRP A 863 -14.589 6.214 -1.878 1.00 0.00 C ATOM 416 NE1 TRP A 863 -13.108 5.130 -3.140 1.00 0.00 N ATOM 417 CE2 TRP A 863 -14.444 5.307 -2.939 1.00 0.00 C ATOM 418 CE3 TRP A 863 -15.862 6.568 -1.472 1.00 0.00 C ATOM 419 CZ2 TRP A 863 -15.534 4.747 -3.593 1.00 0.00 C ATOM 420 CZ3 TRP A 863 -16.950 6.020 -2.117 1.00 0.00 C ATOM 421 CH2 TRP A 863 -16.777 5.113 -3.167 1.00 0.00 C ATOM 0 H TRP A 863 -12.537 9.352 -1.991 1.00 0.00 H new ATOM 0 HA TRP A 863 -14.739 8.637 -0.262 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -11.853 7.712 -0.341 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -13.126 7.015 0.641 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -11.335 5.983 -2.196 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -12.691 4.518 -3.841 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -16.002 7.265 -0.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -15.402 4.049 -4.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -17.948 6.294 -1.808 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -17.646 4.693 -3.651 1.00 0.00 H new ATOM 432 N GLY A 864 -12.379 10.610 0.664 1.00 0.00 N ATOM 433 CA GLY A 864 -11.978 11.490 1.727 1.00 0.00 C ATOM 434 C GLY A 864 -10.696 11.044 2.382 1.00 0.00 C ATOM 435 O GLY A 864 -10.530 11.177 3.593 1.00 0.00 O ATOM 0 H GLY A 864 -11.905 10.765 -0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 864 -11.851 12.498 1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 864 -12.769 11.537 2.475 1.00 0.00 H new ATOM 439 N ASN A 865 -9.816 10.493 1.598 1.00 0.00 N ATOM 440 CA ASN A 865 -8.505 10.074 2.068 1.00 0.00 C ATOM 441 C ASN A 865 -7.556 11.219 1.845 1.00 0.00 C ATOM 442 O ASN A 865 -7.885 12.158 1.113 1.00 0.00 O ATOM 443 CB ASN A 865 -7.967 8.880 1.247 1.00 0.00 C ATOM 444 CG ASN A 865 -8.833 7.642 1.263 1.00 0.00 C ATOM 445 OD1 ASN A 865 -8.677 6.759 2.112 1.00 0.00 O ATOM 446 ND2 ASN A 865 -9.743 7.551 0.331 1.00 0.00 N ATOM 0 H ASN A 865 -9.978 10.316 0.607 1.00 0.00 H new ATOM 0 HA ASN A 865 -8.586 9.785 3.116 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -7.839 9.200 0.213 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -6.979 8.617 1.624 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -10.351 6.733 0.290 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -9.846 8.298 -0.356 1.00 0.00 H new ATOM 453 N GLN A 866 -6.407 11.172 2.466 1.00 0.00 N ATOM 454 CA GLN A 866 -5.381 12.129 2.164 1.00 0.00 C ATOM 455 C GLN A 866 -4.621 11.644 0.965 1.00 0.00 C ATOM 456 O GLN A 866 -3.988 10.590 0.992 1.00 0.00 O ATOM 457 CB GLN A 866 -4.451 12.396 3.345 1.00 0.00 C ATOM 458 CG GLN A 866 -5.030 13.347 4.370 1.00 0.00 C ATOM 459 CD GLN A 866 -4.154 13.501 5.596 1.00 0.00 C ATOM 460 OE1 GLN A 866 -4.301 12.776 6.568 1.00 0.00 O ATOM 461 NE2 GLN A 866 -3.240 14.435 5.560 1.00 0.00 N ATOM 0 H GLN A 866 -6.161 10.485 3.179 1.00 0.00 H new ATOM 0 HA GLN A 866 -5.852 13.088 1.947 1.00 0.00 H new ATOM 0 HB2 GLN A 866 -4.215 11.450 3.832 1.00 0.00 H new ATOM 0 HB3 GLN A 866 -3.512 12.805 2.972 1.00 0.00 H new ATOM 0 HG2 GLN A 866 -5.176 14.324 3.909 1.00 0.00 H new ATOM 0 HG3 GLN A 866 -6.013 12.989 4.675 1.00 0.00 H new ATOM 0 HE21 GLN A 866 -3.144 15.023 4.732 1.00 0.00 H new ATOM 0 HE22 GLN A 866 -2.623 14.576 6.360 1.00 0.00 H new ATOM 470 N ILE A 867 -4.760 12.356 -0.087 1.00 0.00 N ATOM 471 CA ILE A 867 -4.132 12.035 -1.318 1.00 0.00 C ATOM 472 C ILE A 867 -2.972 12.962 -1.525 1.00 0.00 C ATOM 473 O ILE A 867 -3.148 14.177 -1.636 1.00 0.00 O ATOM 474 CB ILE A 867 -5.124 12.182 -2.499 1.00 0.00 C ATOM 475 CG1 ILE A 867 -6.338 11.262 -2.328 1.00 0.00 C ATOM 476 CG2 ILE A 867 -4.449 11.943 -3.839 1.00 0.00 C ATOM 477 CD1 ILE A 867 -6.007 9.783 -2.191 1.00 0.00 C ATOM 0 H ILE A 867 -5.328 13.202 -0.121 1.00 0.00 H new ATOM 0 HA ILE A 867 -3.791 11.000 -1.282 1.00 0.00 H new ATOM 0 HB ILE A 867 -5.478 13.213 -2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 867 -6.894 11.578 -1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 867 -6.999 11.394 -3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 867 -5.180 12.056 -4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 867 -3.646 12.667 -3.976 1.00 0.00 H new ATOM 0 HG23 ILE A 867 -4.036 10.934 -3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -6.929 9.213 -2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -5.481 9.444 -3.083 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -5.374 9.631 -1.317 1.00 0.00 H new ATOM 489 N TRP A 868 -1.809 12.409 -1.535 1.00 0.00 N ATOM 490 CA TRP A 868 -0.625 13.166 -1.783 1.00 0.00 C ATOM 491 C TRP A 868 -0.377 13.234 -3.267 1.00 0.00 C ATOM 492 O TRP A 868 -0.552 12.238 -3.989 1.00 0.00 O ATOM 493 CB TRP A 868 0.589 12.568 -1.063 1.00 0.00 C ATOM 494 CG TRP A 868 0.646 12.851 0.414 1.00 0.00 C ATOM 495 CD1 TRP A 868 1.360 13.840 1.014 1.00 0.00 C ATOM 496 CD2 TRP A 868 -0.023 12.147 1.475 1.00 0.00 C ATOM 497 NE1 TRP A 868 1.189 13.793 2.378 1.00 0.00 N ATOM 498 CE2 TRP A 868 0.346 12.769 2.683 1.00 0.00 C ATOM 499 CE3 TRP A 868 -0.890 11.058 1.525 1.00 0.00 C ATOM 500 CZ2 TRP A 868 -0.122 12.337 3.915 1.00 0.00 C ATOM 501 CZ3 TRP A 868 -1.356 10.631 2.753 1.00 0.00 C ATOM 502 CH2 TRP A 868 -0.969 11.269 3.933 1.00 0.00 C ATOM 0 H TRP A 868 -1.648 11.415 -1.371 1.00 0.00 H new ATOM 0 HA TRP A 868 -0.771 14.172 -1.390 1.00 0.00 H new ATOM 0 HB2 TRP A 868 0.588 11.488 -1.213 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.496 12.953 -1.528 1.00 0.00 H new ATOM 0 HD1 TRP A 868 1.974 14.560 0.494 1.00 0.00 H new ATOM 0 HE1 TRP A 868 1.624 14.423 3.052 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -1.193 10.556 0.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 0.175 12.830 4.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -2.031 9.789 2.801 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -1.348 10.909 4.878 1.00 0.00 H new ATOM 513 N ILE A 869 -0.069 14.398 -3.733 1.00 0.00 N ATOM 514 CA ILE A 869 0.281 14.579 -5.105 1.00 0.00 C ATOM 515 C ILE A 869 1.781 14.383 -5.229 1.00 0.00 C ATOM 516 O ILE A 869 2.557 15.104 -4.577 1.00 0.00 O ATOM 517 CB ILE A 869 -0.108 15.995 -5.624 1.00 0.00 C ATOM 518 CG1 ILE A 869 -1.617 16.274 -5.448 1.00 0.00 C ATOM 519 CG2 ILE A 869 0.306 16.178 -7.080 1.00 0.00 C ATOM 520 CD1 ILE A 869 -2.532 15.306 -6.161 1.00 0.00 C ATOM 0 H ILE A 869 -0.052 15.252 -3.175 1.00 0.00 H new ATOM 0 HA ILE A 869 -0.265 13.855 -5.710 1.00 0.00 H new ATOM 0 HB ILE A 869 0.435 16.721 -5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 869 -1.853 16.257 -4.384 1.00 0.00 H new ATOM 0 HG13 ILE A 869 -1.829 17.282 -5.805 1.00 0.00 H new ATOM 0 HG21 ILE A 869 0.022 17.175 -7.416 1.00 0.00 H new ATOM 0 HG22 ILE A 869 1.386 16.059 -7.169 1.00 0.00 H new ATOM 0 HG23 ILE A 869 -0.194 15.431 -7.697 1.00 0.00 H new ATOM 0 HD11 ILE A 869 -3.570 15.584 -5.978 1.00 0.00 H new ATOM 0 HD12 ILE A 869 -2.332 15.337 -7.232 1.00 0.00 H new ATOM 0 HD13 ILE A 869 -2.356 14.297 -5.788 1.00 0.00 H new ATOM 532 N CYS A 870 2.174 13.391 -6.013 1.00 0.00 N ATOM 533 CA CYS A 870 3.566 13.091 -6.245 1.00 0.00 C ATOM 534 C CYS A 870 4.220 14.264 -6.960 1.00 0.00 C ATOM 535 O CYS A 870 3.733 14.696 -8.000 1.00 0.00 O ATOM 536 CB CYS A 870 3.661 11.821 -7.122 1.00 0.00 C ATOM 537 SG CYS A 870 5.334 11.269 -7.607 1.00 0.00 S ATOM 0 H CYS A 870 1.529 12.773 -6.505 1.00 0.00 H new ATOM 0 HA CYS A 870 4.078 12.921 -5.298 1.00 0.00 H new ATOM 0 HB2 CYS A 870 3.177 11.004 -6.588 1.00 0.00 H new ATOM 0 HB3 CYS A 870 3.085 11.993 -8.031 1.00 0.00 H new ATOM 542 N PRO A 871 5.315 14.811 -6.428 1.00 0.00 N ATOM 543 CA PRO A 871 6.036 15.888 -7.083 1.00 0.00 C ATOM 544 C PRO A 871 6.865 15.369 -8.264 1.00 0.00 C ATOM 545 O PRO A 871 7.533 16.143 -8.965 1.00 0.00 O ATOM 546 CB PRO A 871 6.959 16.448 -5.989 1.00 0.00 C ATOM 547 CG PRO A 871 6.579 15.738 -4.732 1.00 0.00 C ATOM 548 CD PRO A 871 5.919 14.460 -5.142 1.00 0.00 C ATOM 0 HA PRO A 871 5.361 16.638 -7.494 1.00 0.00 H new ATOM 0 HB2 PRO A 871 8.007 16.274 -6.235 1.00 0.00 H new ATOM 0 HB3 PRO A 871 6.831 17.525 -5.883 1.00 0.00 H new ATOM 0 HG2 PRO A 871 7.458 15.540 -4.119 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.903 16.348 -4.133 1.00 0.00 H new ATOM 0 HD2 PRO A 871 6.637 13.646 -5.240 1.00 0.00 H new ATOM 0 HD3 PRO A 871 5.171 14.139 -4.417 1.00 0.00 H new ATOM 556 N GLY A 872 6.833 14.062 -8.474 1.00 0.00 N ATOM 557 CA GLY A 872 7.547 13.480 -9.563 1.00 0.00 C ATOM 558 C GLY A 872 6.809 13.678 -10.864 1.00 0.00 C ATOM 559 O GLY A 872 7.349 14.258 -11.816 1.00 0.00 O ATOM 0 H GLY A 872 6.317 13.398 -7.897 1.00 0.00 H new ATOM 0 HA2 GLY A 872 8.539 13.927 -9.632 1.00 0.00 H new ATOM 0 HA3 GLY A 872 7.690 12.415 -9.381 1.00 0.00 H new ATOM 563 N CYS A 873 5.570 13.256 -10.892 1.00 0.00 N ATOM 564 CA CYS A 873 4.755 13.319 -12.088 1.00 0.00 C ATOM 565 C CYS A 873 3.687 14.411 -11.991 1.00 0.00 C ATOM 566 O CYS A 873 3.257 14.969 -13.011 1.00 0.00 O ATOM 567 CB CYS A 873 4.078 11.981 -12.215 1.00 0.00 C ATOM 568 SG CYS A 873 3.262 11.496 -10.674 1.00 0.00 S ATOM 0 H CYS A 873 5.092 12.857 -10.084 1.00 0.00 H new ATOM 0 HA CYS A 873 5.381 13.553 -12.949 1.00 0.00 H new ATOM 0 HB2 CYS A 873 3.343 12.020 -13.019 1.00 0.00 H new ATOM 0 HB3 CYS A 873 4.814 11.225 -12.491 1.00 0.00 H new ATOM 573 N ASN A 874 3.290 14.698 -10.749 1.00 0.00 N ATOM 574 CA ASN A 874 2.195 15.612 -10.381 1.00 0.00 C ATOM 575 C ASN A 874 0.858 14.904 -10.476 1.00 0.00 C ATOM 576 O ASN A 874 -0.204 15.541 -10.567 1.00 0.00 O ATOM 577 CB ASN A 874 2.185 16.955 -11.147 1.00 0.00 C ATOM 578 CG ASN A 874 3.350 17.873 -10.807 1.00 0.00 C ATOM 579 OD1 ASN A 874 4.459 17.432 -10.480 1.00 0.00 O ATOM 580 ND2 ASN A 874 3.115 19.156 -10.876 1.00 0.00 N ATOM 0 H ASN A 874 3.740 14.284 -9.933 1.00 0.00 H new ATOM 0 HA ASN A 874 2.381 15.893 -9.344 1.00 0.00 H new ATOM 0 HB2 ASN A 874 2.198 16.750 -12.218 1.00 0.00 H new ATOM 0 HB3 ASN A 874 1.252 17.476 -10.933 1.00 0.00 H new ATOM 0 HD21 ASN A 874 3.855 19.823 -10.657 1.00 0.00 H new ATOM 0 HD22 ASN A 874 2.191 19.491 -11.148 1.00 0.00 H new ATOM 587 N LYS A 875 0.900 13.588 -10.409 1.00 0.00 N ATOM 588 CA LYS A 875 -0.286 12.776 -10.428 1.00 0.00 C ATOM 589 C LYS A 875 -0.598 12.313 -8.999 1.00 0.00 C ATOM 590 O LYS A 875 0.319 12.067 -8.199 1.00 0.00 O ATOM 591 CB LYS A 875 -0.102 11.582 -11.370 1.00 0.00 C ATOM 592 CG LYS A 875 0.173 11.988 -12.809 1.00 0.00 C ATOM 593 CD LYS A 875 0.420 10.781 -13.686 1.00 0.00 C ATOM 594 CE LYS A 875 0.722 11.183 -15.118 1.00 0.00 C ATOM 595 NZ LYS A 875 0.940 10.006 -15.979 1.00 0.00 N ATOM 0 H LYS A 875 1.767 13.055 -10.340 1.00 0.00 H new ATOM 0 HA LYS A 875 -1.126 13.361 -10.802 1.00 0.00 H new ATOM 0 HB2 LYS A 875 0.723 10.967 -11.009 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -0.998 10.963 -11.340 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -0.674 12.554 -13.197 1.00 0.00 H new ATOM 0 HG3 LYS A 875 1.040 12.648 -12.843 1.00 0.00 H new ATOM 0 HD2 LYS A 875 1.254 10.204 -13.286 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -0.455 10.131 -13.667 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -0.104 11.775 -15.512 1.00 0.00 H new ATOM 0 HE3 LYS A 875 1.607 11.818 -15.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 1.144 10.319 -16.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 1.744 9.455 -15.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 0.086 9.413 -15.979 1.00 0.00 H new ATOM 609 N PRO A 876 -1.878 12.212 -8.650 1.00 0.00 N ATOM 610 CA PRO A 876 -2.312 11.860 -7.301 1.00 0.00 C ATOM 611 C PRO A 876 -2.123 10.385 -6.915 1.00 0.00 C ATOM 612 O PRO A 876 -2.031 9.472 -7.767 1.00 0.00 O ATOM 613 CB PRO A 876 -3.798 12.210 -7.315 1.00 0.00 C ATOM 614 CG PRO A 876 -4.197 11.992 -8.713 1.00 0.00 C ATOM 615 CD PRO A 876 -3.030 12.455 -9.540 1.00 0.00 C ATOM 0 HA PRO A 876 -1.712 12.391 -6.562 1.00 0.00 H new ATOM 0 HB2 PRO A 876 -4.365 11.575 -6.634 1.00 0.00 H new ATOM 0 HB3 PRO A 876 -3.969 13.241 -7.006 1.00 0.00 H new ATOM 0 HG2 PRO A 876 -4.417 10.941 -8.899 1.00 0.00 H new ATOM 0 HG3 PRO A 876 -5.098 12.555 -8.956 1.00 0.00 H new ATOM 0 HD2 PRO A 876 -2.947 11.894 -10.471 1.00 0.00 H new ATOM 0 HD3 PRO A 876 -3.118 13.508 -9.809 1.00 0.00 H new ATOM 623 N ASP A 877 -2.074 10.188 -5.631 1.00 0.00 N ATOM 624 CA ASP A 877 -1.971 8.885 -4.990 1.00 0.00 C ATOM 625 C ASP A 877 -3.317 8.174 -5.015 1.00 0.00 C ATOM 626 O ASP A 877 -4.372 8.817 -4.977 1.00 0.00 O ATOM 627 CB ASP A 877 -1.495 9.068 -3.531 1.00 0.00 C ATOM 628 CG ASP A 877 -1.623 7.813 -2.680 1.00 0.00 C ATOM 629 OD1 ASP A 877 -1.211 6.730 -3.132 1.00 0.00 O ATOM 630 OD2 ASP A 877 -2.195 7.895 -1.572 1.00 0.00 O ATOM 0 H ASP A 877 -2.105 10.957 -4.961 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.249 8.275 -5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -0.453 9.387 -3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -2.071 9.869 -3.069 1.00 0.00 H new ATOM 635 N ASP A 878 -3.289 6.873 -5.111 1.00 0.00 N ATOM 636 CA ASP A 878 -4.542 6.082 -5.082 1.00 0.00 C ATOM 637 C ASP A 878 -4.436 5.017 -4.011 1.00 0.00 C ATOM 638 O ASP A 878 -5.345 4.188 -3.828 1.00 0.00 O ATOM 639 CB ASP A 878 -4.856 5.407 -6.449 1.00 0.00 C ATOM 640 CG ASP A 878 -4.018 4.161 -6.751 1.00 0.00 C ATOM 641 OD1 ASP A 878 -2.877 4.293 -7.258 1.00 0.00 O ATOM 642 OD2 ASP A 878 -4.496 3.029 -6.530 1.00 0.00 O ATOM 0 H ASP A 878 -2.437 6.321 -5.210 1.00 0.00 H new ATOM 0 HA ASP A 878 -5.358 6.772 -4.864 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -5.911 5.134 -6.471 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -4.699 6.136 -7.244 1.00 0.00 H new ATOM 647 N GLY A 879 -3.377 5.106 -3.262 1.00 0.00 N ATOM 648 CA GLY A 879 -3.003 4.091 -2.340 1.00 0.00 C ATOM 649 C GLY A 879 -1.846 3.356 -2.945 1.00 0.00 C ATOM 650 O GLY A 879 -1.627 2.181 -2.706 1.00 0.00 O ATOM 0 H GLY A 879 -2.741 5.903 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -2.725 4.525 -1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -3.836 3.413 -2.154 1.00 0.00 H new ATOM 654 N SER A 880 -1.084 4.088 -3.700 1.00 0.00 N ATOM 655 CA SER A 880 -0.030 3.565 -4.496 1.00 0.00 C ATOM 656 C SER A 880 1.174 3.229 -3.596 1.00 0.00 C ATOM 657 O SER A 880 1.255 3.717 -2.457 1.00 0.00 O ATOM 658 CB SER A 880 0.367 4.661 -5.483 1.00 0.00 C ATOM 659 OG SER A 880 -0.781 5.322 -6.044 1.00 0.00 O ATOM 0 H SER A 880 -1.188 5.100 -3.777 1.00 0.00 H new ATOM 0 HA SER A 880 -0.343 2.660 -5.016 1.00 0.00 H new ATOM 0 HB2 SER A 880 0.996 5.394 -4.978 1.00 0.00 H new ATOM 0 HB3 SER A 880 0.964 4.228 -6.285 1.00 0.00 H new ATOM 0 HG SER A 880 -1.489 4.665 -6.209 1.00 0.00 H new ATOM 665 N PRO A 881 2.114 2.367 -4.054 1.00 0.00 N ATOM 666 CA PRO A 881 3.335 2.153 -3.328 1.00 0.00 C ATOM 667 C PRO A 881 4.174 3.397 -3.487 1.00 0.00 C ATOM 668 O PRO A 881 4.626 3.724 -4.596 1.00 0.00 O ATOM 669 CB PRO A 881 4.006 0.956 -4.014 1.00 0.00 C ATOM 670 CG PRO A 881 3.012 0.427 -4.982 1.00 0.00 C ATOM 671 CD PRO A 881 2.059 1.562 -5.283 1.00 0.00 C ATOM 0 HA PRO A 881 3.191 1.959 -2.265 1.00 0.00 H new ATOM 0 HB2 PRO A 881 4.921 1.260 -4.522 1.00 0.00 H new ATOM 0 HB3 PRO A 881 4.284 0.195 -3.285 1.00 0.00 H new ATOM 0 HG2 PRO A 881 3.503 0.081 -5.892 1.00 0.00 H new ATOM 0 HG3 PRO A 881 2.479 -0.426 -4.563 1.00 0.00 H new ATOM 0 HD2 PRO A 881 2.374 2.134 -6.156 1.00 0.00 H new ATOM 0 HD3 PRO A 881 1.051 1.201 -5.485 1.00 0.00 H new ATOM 679 N MET A 882 4.281 4.140 -2.441 1.00 0.00 N ATOM 680 CA MET A 882 4.992 5.392 -2.502 1.00 0.00 C ATOM 681 C MET A 882 6.142 5.359 -1.546 1.00 0.00 C ATOM 682 O MET A 882 6.184 4.505 -0.641 1.00 0.00 O ATOM 683 CB MET A 882 4.071 6.586 -2.184 1.00 0.00 C ATOM 684 CG MET A 882 2.798 6.640 -3.013 1.00 0.00 C ATOM 685 SD MET A 882 1.826 8.131 -2.742 1.00 0.00 S ATOM 686 CE MET A 882 2.709 9.332 -3.717 1.00 0.00 C ATOM 0 H MET A 882 3.889 3.912 -1.527 1.00 0.00 H new ATOM 0 HA MET A 882 5.361 5.525 -3.519 1.00 0.00 H new ATOM 0 HB2 MET A 882 3.801 6.549 -1.129 1.00 0.00 H new ATOM 0 HB3 MET A 882 4.629 7.510 -2.338 1.00 0.00 H new ATOM 0 HG2 MET A 882 3.059 6.573 -4.069 1.00 0.00 H new ATOM 0 HG3 MET A 882 2.185 5.769 -2.780 1.00 0.00 H new ATOM 0 HE1 MET A 882 2.731 10.285 -3.188 1.00 0.00 H new ATOM 0 HE2 MET A 882 3.729 8.986 -3.884 1.00 0.00 H new ATOM 0 HE3 MET A 882 2.208 9.461 -4.676 1.00 0.00 H new ATOM 696 N ILE A 883 7.071 6.246 -1.735 1.00 0.00 N ATOM 697 CA ILE A 883 8.207 6.326 -0.877 1.00 0.00 C ATOM 698 C ILE A 883 8.320 7.746 -0.344 1.00 0.00 C ATOM 699 O ILE A 883 8.108 8.722 -1.082 1.00 0.00 O ATOM 700 CB ILE A 883 9.513 5.849 -1.588 1.00 0.00 C ATOM 701 CG1 ILE A 883 10.681 5.760 -0.595 1.00 0.00 C ATOM 702 CG2 ILE A 883 9.871 6.773 -2.751 1.00 0.00 C ATOM 703 CD1 ILE A 883 11.884 5.020 -1.141 1.00 0.00 C ATOM 0 H ILE A 883 7.060 6.933 -2.489 1.00 0.00 H new ATOM 0 HA ILE A 883 8.072 5.645 -0.036 1.00 0.00 H new ATOM 0 HB ILE A 883 9.327 4.852 -1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 883 10.983 6.768 -0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 883 10.339 5.262 0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 883 10.784 6.419 -3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 883 9.058 6.775 -3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 883 10.026 7.785 -2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 883 12.670 4.996 -0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 883 11.598 4.000 -1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 883 12.252 5.530 -2.031 1.00 0.00 H new ATOM 715 N GLY A 884 8.525 7.844 0.936 1.00 0.00 N ATOM 716 CA GLY A 884 8.639 9.109 1.577 1.00 0.00 C ATOM 717 C GLY A 884 10.065 9.495 1.764 1.00 0.00 C ATOM 718 O GLY A 884 10.892 8.663 2.206 1.00 0.00 O ATOM 0 H GLY A 884 8.617 7.044 1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 884 8.130 9.867 0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 884 8.139 9.075 2.545 1.00 0.00 H new ATOM 722 N CYS A 885 10.365 10.716 1.420 1.00 0.00 N ATOM 723 CA CYS A 885 11.675 11.266 1.581 1.00 0.00 C ATOM 724 C CYS A 885 11.868 11.609 3.052 1.00 0.00 C ATOM 725 O CYS A 885 10.895 11.721 3.809 1.00 0.00 O ATOM 726 CB CYS A 885 11.825 12.504 0.663 1.00 0.00 C ATOM 727 SG CYS A 885 13.397 13.440 0.798 1.00 0.00 S ATOM 0 H CYS A 885 9.692 11.365 1.013 1.00 0.00 H new ATOM 0 HA CYS A 885 12.447 10.553 1.291 1.00 0.00 H new ATOM 0 HB2 CYS A 885 11.710 12.178 -0.371 1.00 0.00 H new ATOM 0 HB3 CYS A 885 11.002 13.187 0.875 1.00 0.00 H new ATOM 0 HG CYS A 885 13.160 14.710 0.651 1.00 0.00 H new ATOM 732 N ASP A 886 13.087 11.760 3.460 1.00 0.00 N ATOM 733 CA ASP A 886 13.377 12.017 4.857 1.00 0.00 C ATOM 734 C ASP A 886 13.586 13.493 5.115 1.00 0.00 C ATOM 735 O ASP A 886 13.284 14.001 6.204 1.00 0.00 O ATOM 736 CB ASP A 886 14.599 11.227 5.309 1.00 0.00 C ATOM 737 CG ASP A 886 14.904 11.390 6.784 1.00 0.00 C ATOM 738 OD1 ASP A 886 13.989 11.265 7.612 1.00 0.00 O ATOM 739 OD2 ASP A 886 16.086 11.565 7.141 1.00 0.00 O ATOM 0 H ASP A 886 13.907 11.712 2.855 1.00 0.00 H new ATOM 0 HA ASP A 886 12.513 11.690 5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 886 14.441 10.171 5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 886 15.465 11.546 4.728 1.00 0.00 H new ATOM 744 N ASP A 887 14.042 14.201 4.109 1.00 0.00 N ATOM 745 CA ASP A 887 14.371 15.604 4.289 1.00 0.00 C ATOM 746 C ASP A 887 13.109 16.439 4.236 1.00 0.00 C ATOM 747 O ASP A 887 12.801 17.183 5.180 1.00 0.00 O ATOM 748 CB ASP A 887 15.366 16.075 3.236 1.00 0.00 C ATOM 749 CG ASP A 887 15.911 17.474 3.487 1.00 0.00 C ATOM 750 OD1 ASP A 887 15.183 18.476 3.336 1.00 0.00 O ATOM 751 OD2 ASP A 887 17.121 17.609 3.809 1.00 0.00 O ATOM 0 H ASP A 887 14.194 13.839 3.167 1.00 0.00 H new ATOM 0 HA ASP A 887 14.839 15.725 5.266 1.00 0.00 H new ATOM 0 HB2 ASP A 887 16.199 15.373 3.197 1.00 0.00 H new ATOM 0 HB3 ASP A 887 14.884 16.053 2.259 1.00 0.00 H new ATOM 756 N CYS A 888 12.365 16.308 3.160 1.00 0.00 N ATOM 757 CA CYS A 888 11.134 17.064 3.035 1.00 0.00 C ATOM 758 C CYS A 888 9.932 16.303 3.604 1.00 0.00 C ATOM 759 O CYS A 888 8.897 16.912 3.925 1.00 0.00 O ATOM 760 CB CYS A 888 10.899 17.465 1.581 1.00 0.00 C ATOM 761 SG CYS A 888 10.846 16.088 0.402 1.00 0.00 S ATOM 0 H CYS A 888 12.583 15.698 2.372 1.00 0.00 H new ATOM 0 HA CYS A 888 11.241 17.971 3.629 1.00 0.00 H new ATOM 0 HB2 CYS A 888 9.959 18.013 1.519 1.00 0.00 H new ATOM 0 HB3 CYS A 888 11.689 18.152 1.278 1.00 0.00 H new ATOM 766 N ASP A 889 10.073 14.968 3.709 1.00 0.00 N ATOM 767 CA ASP A 889 9.010 14.071 4.235 1.00 0.00 C ATOM 768 C ASP A 889 7.813 14.076 3.257 1.00 0.00 C ATOM 769 O ASP A 889 6.655 13.830 3.611 1.00 0.00 O ATOM 770 CB ASP A 889 8.617 14.489 5.693 1.00 0.00 C ATOM 771 CG ASP A 889 7.603 13.580 6.372 1.00 0.00 C ATOM 772 OD1 ASP A 889 7.956 12.438 6.742 1.00 0.00 O ATOM 773 OD2 ASP A 889 6.435 14.000 6.557 1.00 0.00 O ATOM 0 H ASP A 889 10.923 14.475 3.434 1.00 0.00 H new ATOM 0 HA ASP A 889 9.374 13.046 4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 889 9.520 14.519 6.302 1.00 0.00 H new ATOM 0 HB3 ASP A 889 8.215 15.502 5.669 1.00 0.00 H new ATOM 778 N ASP A 890 8.132 14.319 1.995 1.00 0.00 N ATOM 779 CA ASP A 890 7.143 14.397 0.944 1.00 0.00 C ATOM 780 C ASP A 890 6.921 12.987 0.377 1.00 0.00 C ATOM 781 O ASP A 890 7.647 12.045 0.749 1.00 0.00 O ATOM 782 CB ASP A 890 7.651 15.335 -0.148 1.00 0.00 C ATOM 783 CG ASP A 890 6.561 16.062 -0.885 1.00 0.00 C ATOM 784 OD1 ASP A 890 5.636 15.419 -1.379 1.00 0.00 O ATOM 785 OD2 ASP A 890 6.643 17.328 -0.990 1.00 0.00 O ATOM 0 H ASP A 890 9.089 14.467 1.675 1.00 0.00 H new ATOM 0 HA ASP A 890 6.200 14.784 1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 890 8.323 16.067 0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 890 8.238 14.759 -0.864 1.00 0.00 H new ATOM 790 N TRP A 891 5.981 12.842 -0.527 1.00 0.00 N ATOM 791 CA TRP A 891 5.611 11.529 -1.052 1.00 0.00 C ATOM 792 C TRP A 891 5.678 11.452 -2.548 1.00 0.00 C ATOM 793 O TRP A 891 4.929 12.117 -3.243 1.00 0.00 O ATOM 794 CB TRP A 891 4.222 11.084 -0.569 1.00 0.00 C ATOM 795 CG TRP A 891 4.213 10.702 0.858 1.00 0.00 C ATOM 796 CD1 TRP A 891 3.834 11.462 1.914 1.00 0.00 C ATOM 797 CD2 TRP A 891 4.647 9.457 1.390 1.00 0.00 C ATOM 798 NE1 TRP A 891 4.009 10.760 3.075 1.00 0.00 N ATOM 799 CE2 TRP A 891 4.512 9.528 2.774 1.00 0.00 C ATOM 800 CE3 TRP A 891 5.138 8.287 0.822 1.00 0.00 C ATOM 801 CZ2 TRP A 891 4.856 8.483 3.599 1.00 0.00 C ATOM 802 CZ3 TRP A 891 5.485 7.244 1.650 1.00 0.00 C ATOM 803 CH2 TRP A 891 5.343 7.353 3.029 1.00 0.00 C ATOM 0 H TRP A 891 5.449 13.617 -0.923 1.00 0.00 H new ATOM 0 HA TRP A 891 6.358 10.843 -0.653 1.00 0.00 H new ATOM 0 HB2 TRP A 891 3.509 11.893 -0.729 1.00 0.00 H new ATOM 0 HB3 TRP A 891 3.886 10.239 -1.170 1.00 0.00 H new ATOM 0 HD1 TRP A 891 3.451 12.470 1.849 1.00 0.00 H new ATOM 0 HE1 TRP A 891 3.798 11.102 4.013 1.00 0.00 H new ATOM 0 HE3 TRP A 891 5.245 8.198 -0.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 4.742 8.560 4.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 5.872 6.330 1.224 1.00 0.00 H new ATOM 0 HH2 TRP A 891 5.626 6.522 3.658 1.00 0.00 H new ATOM 814 N TYR A 892 6.550 10.609 -3.031 1.00 0.00 N ATOM 815 CA TYR A 892 6.711 10.388 -4.445 1.00 0.00 C ATOM 816 C TYR A 892 6.318 8.969 -4.776 1.00 0.00 C ATOM 817 O TYR A 892 6.383 8.074 -3.905 1.00 0.00 O ATOM 818 CB TYR A 892 8.173 10.560 -4.849 1.00 0.00 C ATOM 819 CG TYR A 892 8.751 11.951 -4.742 1.00 0.00 C ATOM 820 CD1 TYR A 892 9.041 12.521 -3.513 1.00 0.00 C ATOM 821 CD2 TYR A 892 9.046 12.676 -5.886 1.00 0.00 C ATOM 822 CE1 TYR A 892 9.598 13.770 -3.426 1.00 0.00 C ATOM 823 CE2 TYR A 892 9.618 13.922 -5.810 1.00 0.00 C ATOM 824 CZ TYR A 892 9.891 14.466 -4.579 1.00 0.00 C ATOM 825 OH TYR A 892 10.488 15.687 -4.498 1.00 0.00 O ATOM 0 H TYR A 892 7.175 10.050 -2.450 1.00 0.00 H new ATOM 0 HA TYR A 892 6.087 11.107 -4.976 1.00 0.00 H new ATOM 0 HB2 TYR A 892 8.776 9.893 -4.233 1.00 0.00 H new ATOM 0 HB3 TYR A 892 8.282 10.226 -5.881 1.00 0.00 H new ATOM 0 HD1 TYR A 892 8.824 11.972 -2.609 1.00 0.00 H new ATOM 0 HD2 TYR A 892 8.822 12.253 -6.854 1.00 0.00 H new ATOM 0 HE1 TYR A 892 9.806 14.206 -2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 892 9.851 14.470 -6.711 1.00 0.00 H new ATOM 0 HH TYR A 892 11.314 15.613 -3.976 1.00 0.00 H new ATOM 835 N HIS A 893 5.906 8.744 -5.998 1.00 0.00 N ATOM 836 CA HIS A 893 5.643 7.392 -6.451 1.00 0.00 C ATOM 837 C HIS A 893 6.960 6.739 -6.824 1.00 0.00 C ATOM 838 O HIS A 893 7.963 7.418 -7.052 1.00 0.00 O ATOM 839 CB HIS A 893 4.695 7.324 -7.658 1.00 0.00 C ATOM 840 CG HIS A 893 3.293 7.800 -7.437 1.00 0.00 C ATOM 841 ND1 HIS A 893 2.803 8.875 -8.130 1.00 0.00 N ATOM 842 CD2 HIS A 893 2.309 7.290 -6.658 1.00 0.00 C ATOM 843 CE1 HIS A 893 1.524 9.001 -7.754 1.00 0.00 C ATOM 844 NE2 HIS A 893 1.195 8.058 -6.868 1.00 0.00 N ATOM 0 H HIS A 893 5.745 9.470 -6.696 1.00 0.00 H new ATOM 0 HA HIS A 893 5.150 6.870 -5.631 1.00 0.00 H new ATOM 0 HB2 HIS A 893 5.131 7.911 -8.467 1.00 0.00 H new ATOM 0 HB3 HIS A 893 4.654 6.290 -8.001 1.00 0.00 H new ATOM 0 HD2 HIS A 893 2.388 6.440 -5.997 1.00 0.00 H new ATOM 0 HE1 HIS A 893 0.850 9.762 -8.118 1.00 0.00 H new ATOM 0 HE2 HIS A 893 0.283 7.933 -6.429 1.00 0.00 H new ATOM 852 N TRP A 894 6.944 5.449 -6.920 1.00 0.00 N ATOM 853 CA TRP A 894 8.130 4.671 -7.200 1.00 0.00 C ATOM 854 C TRP A 894 8.708 4.873 -8.618 1.00 0.00 C ATOM 855 O TRP A 894 9.895 5.207 -8.745 1.00 0.00 O ATOM 856 CB TRP A 894 7.904 3.204 -6.897 1.00 0.00 C ATOM 857 CG TRP A 894 7.836 2.870 -5.446 1.00 0.00 C ATOM 858 CD1 TRP A 894 7.975 3.717 -4.377 1.00 0.00 C ATOM 859 CD2 TRP A 894 7.647 1.580 -4.908 1.00 0.00 C ATOM 860 NE1 TRP A 894 7.879 3.006 -3.206 1.00 0.00 N ATOM 861 CE2 TRP A 894 7.675 1.692 -3.507 1.00 0.00 C ATOM 862 CE3 TRP A 894 7.455 0.334 -5.483 1.00 0.00 C ATOM 863 CZ2 TRP A 894 7.514 0.598 -2.677 1.00 0.00 C ATOM 864 CZ3 TRP A 894 7.298 -0.748 -4.670 1.00 0.00 C ATOM 865 CH2 TRP A 894 7.328 -0.617 -3.274 1.00 0.00 C ATOM 0 H TRP A 894 6.100 4.888 -6.806 1.00 0.00 H new ATOM 0 HA TRP A 894 8.895 5.056 -6.526 1.00 0.00 H new ATOM 0 HB2 TRP A 894 6.975 2.888 -7.372 1.00 0.00 H new ATOM 0 HB3 TRP A 894 8.708 2.625 -7.352 1.00 0.00 H new ATOM 0 HD1 TRP A 894 8.136 4.783 -4.445 1.00 0.00 H new ATOM 0 HE1 TRP A 894 7.949 3.396 -2.266 1.00 0.00 H new ATOM 0 HE3 TRP A 894 7.430 0.222 -6.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 7.534 0.699 -1.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 7.148 -1.724 -5.108 1.00 0.00 H new ATOM 0 HH2 TRP A 894 7.201 -1.495 -2.658 1.00 0.00 H new ATOM 876 N PRO A 895 7.903 4.712 -9.717 1.00 0.00 N ATOM 877 CA PRO A 895 8.412 4.866 -11.100 1.00 0.00 C ATOM 878 C PRO A 895 8.798 6.311 -11.422 1.00 0.00 C ATOM 879 O PRO A 895 9.422 6.599 -12.449 1.00 0.00 O ATOM 880 CB PRO A 895 7.221 4.433 -11.960 1.00 0.00 C ATOM 881 CG PRO A 895 6.041 4.724 -11.107 1.00 0.00 C ATOM 882 CD PRO A 895 6.465 4.356 -9.728 1.00 0.00 C ATOM 0 HA PRO A 895 9.318 4.284 -11.268 1.00 0.00 H new ATOM 0 HB2 PRO A 895 7.183 4.987 -12.898 1.00 0.00 H new ATOM 0 HB3 PRO A 895 7.277 3.375 -12.217 1.00 0.00 H new ATOM 0 HG2 PRO A 895 5.760 5.776 -11.167 1.00 0.00 H new ATOM 0 HG3 PRO A 895 5.173 4.144 -11.422 1.00 0.00 H new ATOM 0 HD2 PRO A 895 5.906 4.909 -8.973 1.00 0.00 H new ATOM 0 HD3 PRO A 895 6.310 3.296 -9.527 1.00 0.00 H new ATOM 890 N CYS A 896 8.419 7.203 -10.552 1.00 0.00 N ATOM 891 CA CYS A 896 8.698 8.584 -10.697 1.00 0.00 C ATOM 892 C CYS A 896 10.099 8.916 -10.163 1.00 0.00 C ATOM 893 O CYS A 896 10.735 9.871 -10.620 1.00 0.00 O ATOM 894 CB CYS A 896 7.625 9.333 -9.934 1.00 0.00 C ATOM 895 SG CYS A 896 5.957 8.722 -10.314 1.00 0.00 S ATOM 0 H CYS A 896 7.896 6.975 -9.707 1.00 0.00 H new ATOM 0 HA CYS A 896 8.690 8.875 -11.747 1.00 0.00 H new ATOM 0 HB2 CYS A 896 7.810 9.238 -8.864 1.00 0.00 H new ATOM 0 HB3 CYS A 896 7.685 10.394 -10.175 1.00 0.00 H new ATOM 900 N VAL A 897 10.574 8.123 -9.215 1.00 0.00 N ATOM 901 CA VAL A 897 11.880 8.367 -8.610 1.00 0.00 C ATOM 902 C VAL A 897 12.905 7.280 -8.928 1.00 0.00 C ATOM 903 O VAL A 897 14.106 7.470 -8.709 1.00 0.00 O ATOM 904 CB VAL A 897 11.785 8.557 -7.081 1.00 0.00 C ATOM 905 CG1 VAL A 897 10.987 9.799 -6.761 1.00 0.00 C ATOM 906 CG2 VAL A 897 11.153 7.348 -6.417 1.00 0.00 C ATOM 0 H VAL A 897 10.081 7.309 -8.848 1.00 0.00 H new ATOM 0 HA VAL A 897 12.230 9.295 -9.062 1.00 0.00 H new ATOM 0 HB VAL A 897 12.796 8.669 -6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 897 10.926 9.924 -5.680 1.00 0.00 H new ATOM 0 HG12 VAL A 897 11.476 10.669 -7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 897 9.982 9.702 -7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 897 11.099 7.511 -5.341 1.00 0.00 H new ATOM 0 HG22 VAL A 897 10.148 7.200 -6.812 1.00 0.00 H new ATOM 0 HG23 VAL A 897 11.757 6.464 -6.621 1.00 0.00 H new ATOM 916 N GLY A 898 12.444 6.151 -9.411 1.00 0.00 N ATOM 917 CA GLY A 898 13.354 5.091 -9.756 1.00 0.00 C ATOM 918 C GLY A 898 13.405 4.012 -8.701 1.00 0.00 C ATOM 919 O GLY A 898 14.429 3.360 -8.523 1.00 0.00 O ATOM 0 H GLY A 898 11.458 5.946 -9.572 1.00 0.00 H new ATOM 0 HA2 GLY A 898 13.053 4.652 -10.707 1.00 0.00 H new ATOM 0 HA3 GLY A 898 14.353 5.504 -9.898 1.00 0.00 H new ATOM 923 N ILE A 899 12.324 3.846 -7.985 1.00 0.00 N ATOM 924 CA ILE A 899 12.223 2.802 -6.986 1.00 0.00 C ATOM 925 C ILE A 899 11.374 1.687 -7.575 1.00 0.00 C ATOM 926 O ILE A 899 10.335 1.951 -8.155 1.00 0.00 O ATOM 927 CB ILE A 899 11.581 3.329 -5.656 1.00 0.00 C ATOM 928 CG1 ILE A 899 12.472 4.389 -4.980 1.00 0.00 C ATOM 929 CG2 ILE A 899 11.277 2.187 -4.676 1.00 0.00 C ATOM 930 CD1 ILE A 899 13.788 3.875 -4.442 1.00 0.00 C ATOM 0 H ILE A 899 11.489 4.425 -8.073 1.00 0.00 H new ATOM 0 HA ILE A 899 13.220 2.443 -6.732 1.00 0.00 H new ATOM 0 HB ILE A 899 10.636 3.798 -5.930 1.00 0.00 H new ATOM 0 HG12 ILE A 899 12.677 5.181 -5.700 1.00 0.00 H new ATOM 0 HG13 ILE A 899 11.914 4.840 -4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 899 10.833 2.595 -3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 899 10.580 1.487 -5.137 1.00 0.00 H new ATOM 0 HG23 ILE A 899 12.201 1.666 -4.426 1.00 0.00 H new ATOM 0 HD11 ILE A 899 14.341 4.697 -3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 899 13.599 3.105 -3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 899 14.374 3.452 -5.258 1.00 0.00 H new ATOM 942 N MET A 900 11.834 0.471 -7.491 1.00 0.00 N ATOM 943 CA MET A 900 11.079 -0.655 -8.037 1.00 0.00 C ATOM 944 C MET A 900 10.586 -1.542 -6.927 1.00 0.00 C ATOM 945 O MET A 900 9.506 -2.123 -7.012 1.00 0.00 O ATOM 946 CB MET A 900 11.922 -1.461 -9.018 1.00 0.00 C ATOM 947 CG MET A 900 12.394 -0.682 -10.230 1.00 0.00 C ATOM 948 SD MET A 900 13.432 -1.666 -11.339 1.00 0.00 S ATOM 949 CE MET A 900 12.273 -2.933 -11.859 1.00 0.00 C ATOM 0 H MET A 900 12.721 0.220 -7.055 1.00 0.00 H new ATOM 0 HA MET A 900 10.222 -0.253 -8.577 1.00 0.00 H new ATOM 0 HB2 MET A 900 12.793 -1.853 -8.492 1.00 0.00 H new ATOM 0 HB3 MET A 900 11.341 -2.319 -9.357 1.00 0.00 H new ATOM 0 HG2 MET A 900 11.527 -0.316 -10.781 1.00 0.00 H new ATOM 0 HG3 MET A 900 12.953 0.193 -9.898 1.00 0.00 H new ATOM 0 HE1 MET A 900 12.643 -3.415 -12.764 1.00 0.00 H new ATOM 0 HE2 MET A 900 12.168 -3.676 -11.069 1.00 0.00 H new ATOM 0 HE3 MET A 900 11.303 -2.478 -12.061 1.00 0.00 H new ATOM 959 N ALA A 901 11.369 -1.641 -5.899 1.00 0.00 N ATOM 960 CA ALA A 901 11.028 -2.418 -4.751 1.00 0.00 C ATOM 961 C ALA A 901 11.322 -1.590 -3.539 1.00 0.00 C ATOM 962 O ALA A 901 12.240 -0.751 -3.567 1.00 0.00 O ATOM 963 CB ALA A 901 11.822 -3.717 -4.725 1.00 0.00 C ATOM 0 H ALA A 901 12.275 -1.178 -5.833 1.00 0.00 H new ATOM 0 HA ALA A 901 9.972 -2.688 -4.776 1.00 0.00 H new ATOM 0 HB1 ALA A 901 11.547 -4.294 -3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 901 11.600 -4.297 -5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 901 12.888 -3.491 -4.693 1.00 0.00 H new ATOM 969 N ALA A 902 10.555 -1.785 -2.510 1.00 0.00 N ATOM 970 CA ALA A 902 10.694 -1.043 -1.293 1.00 0.00 C ATOM 971 C ALA A 902 12.006 -1.386 -0.596 1.00 0.00 C ATOM 972 O ALA A 902 12.274 -2.571 -0.306 1.00 0.00 O ATOM 973 CB ALA A 902 9.524 -1.321 -0.362 1.00 0.00 C ATOM 0 H ALA A 902 9.803 -2.474 -2.491 1.00 0.00 H new ATOM 0 HA ALA A 902 10.701 0.018 -1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 902 9.647 -0.749 0.558 1.00 0.00 H new ATOM 0 HB2 ALA A 902 8.594 -1.029 -0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 902 9.492 -2.385 -0.126 1.00 0.00 H new ATOM 979 N PRO A 903 12.860 -0.380 -0.348 1.00 0.00 N ATOM 980 CA PRO A 903 14.086 -0.576 0.404 1.00 0.00 C ATOM 981 C PRO A 903 13.735 -0.715 1.884 1.00 0.00 C ATOM 982 O PRO A 903 12.575 -0.453 2.271 1.00 0.00 O ATOM 983 CB PRO A 903 14.891 0.727 0.162 1.00 0.00 C ATOM 984 CG PRO A 903 14.101 1.532 -0.817 1.00 0.00 C ATOM 985 CD PRO A 903 12.698 1.021 -0.762 1.00 0.00 C ATOM 0 HA PRO A 903 14.644 -1.464 0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 903 15.031 1.276 1.093 1.00 0.00 H new ATOM 0 HB3 PRO A 903 15.884 0.504 -0.229 1.00 0.00 H new ATOM 0 HG2 PRO A 903 14.137 2.592 -0.565 1.00 0.00 H new ATOM 0 HG3 PRO A 903 14.511 1.430 -1.822 1.00 0.00 H new ATOM 0 HD2 PRO A 903 12.094 1.583 -0.050 1.00 0.00 H new ATOM 0 HD3 PRO A 903 12.204 1.099 -1.730 1.00 0.00 H new ATOM 993 N PRO A 904 14.681 -1.127 2.735 1.00 0.00 N ATOM 994 CA PRO A 904 14.421 -1.263 4.148 1.00 0.00 C ATOM 995 C PRO A 904 14.074 0.090 4.740 1.00 0.00 C ATOM 996 O PRO A 904 14.761 1.090 4.490 1.00 0.00 O ATOM 997 CB PRO A 904 15.730 -1.805 4.728 1.00 0.00 C ATOM 998 CG PRO A 904 16.762 -1.458 3.723 1.00 0.00 C ATOM 999 CD PRO A 904 16.068 -1.456 2.394 1.00 0.00 C ATOM 0 HA PRO A 904 13.581 -1.922 4.367 1.00 0.00 H new ATOM 0 HB2 PRO A 904 15.951 -1.353 5.695 1.00 0.00 H new ATOM 0 HB3 PRO A 904 15.677 -2.882 4.885 1.00 0.00 H new ATOM 0 HG2 PRO A 904 17.199 -0.482 3.935 1.00 0.00 H new ATOM 0 HG3 PRO A 904 17.577 -2.182 3.736 1.00 0.00 H new ATOM 0 HD2 PRO A 904 16.500 -0.720 1.716 1.00 0.00 H new ATOM 0 HD3 PRO A 904 16.141 -2.425 1.901 1.00 0.00 H new ATOM 1007 N GLU A 905 13.000 0.110 5.489 1.00 0.00 N ATOM 1008 CA GLU A 905 12.432 1.312 6.093 1.00 0.00 C ATOM 1009 C GLU A 905 13.469 2.071 6.889 1.00 0.00 C ATOM 1010 O GLU A 905 13.505 3.307 6.876 1.00 0.00 O ATOM 1011 CB GLU A 905 11.267 0.966 7.028 1.00 0.00 C ATOM 1012 CG GLU A 905 10.240 -0.015 6.472 1.00 0.00 C ATOM 1013 CD GLU A 905 10.672 -1.459 6.582 1.00 0.00 C ATOM 1014 OE1 GLU A 905 11.337 -1.967 5.667 1.00 0.00 O ATOM 1015 OE2 GLU A 905 10.370 -2.093 7.604 1.00 0.00 O ATOM 0 H GLU A 905 12.471 -0.734 5.709 1.00 0.00 H new ATOM 0 HA GLU A 905 12.074 1.933 5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 905 11.676 0.552 7.950 1.00 0.00 H new ATOM 0 HB3 GLU A 905 10.753 1.889 7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 905 9.297 0.116 7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 905 10.051 0.222 5.425 1.00 0.00 H new ATOM 1022 N GLU A 906 14.334 1.310 7.531 1.00 0.00 N ATOM 1023 CA GLU A 906 15.377 1.846 8.394 1.00 0.00 C ATOM 1024 C GLU A 906 16.479 2.555 7.601 1.00 0.00 C ATOM 1025 O GLU A 906 17.224 3.358 8.151 1.00 0.00 O ATOM 1026 CB GLU A 906 15.958 0.742 9.279 1.00 0.00 C ATOM 1027 CG GLU A 906 16.570 -0.420 8.517 1.00 0.00 C ATOM 1028 CD GLU A 906 17.031 -1.517 9.429 1.00 0.00 C ATOM 1029 OE1 GLU A 906 18.172 -1.474 9.909 1.00 0.00 O ATOM 1030 OE2 GLU A 906 16.250 -2.451 9.690 1.00 0.00 O ATOM 0 H GLU A 906 14.335 0.292 7.470 1.00 0.00 H new ATOM 0 HA GLU A 906 14.917 2.599 9.033 1.00 0.00 H new ATOM 0 HB2 GLU A 906 16.719 1.176 9.927 1.00 0.00 H new ATOM 0 HB3 GLU A 906 15.169 0.360 9.926 1.00 0.00 H new ATOM 0 HG2 GLU A 906 15.837 -0.818 7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 906 17.414 -0.061 7.928 1.00 0.00 H new ATOM 1037 N MET A 907 16.578 2.263 6.321 1.00 0.00 N ATOM 1038 CA MET A 907 17.548 2.923 5.487 1.00 0.00 C ATOM 1039 C MET A 907 16.926 4.164 4.975 1.00 0.00 C ATOM 1040 O MET A 907 15.830 4.137 4.434 1.00 0.00 O ATOM 1041 CB MET A 907 17.980 2.060 4.317 1.00 0.00 C ATOM 1042 CG MET A 907 19.000 2.693 3.346 1.00 0.00 C ATOM 1043 SD MET A 907 20.745 2.722 3.915 1.00 0.00 S ATOM 1044 CE MET A 907 20.757 3.824 5.334 1.00 0.00 C ATOM 0 H MET A 907 15.999 1.574 5.841 1.00 0.00 H new ATOM 0 HA MET A 907 18.439 3.131 6.079 1.00 0.00 H new ATOM 0 HB2 MET A 907 18.408 1.138 4.710 1.00 0.00 H new ATOM 0 HB3 MET A 907 17.092 1.783 3.749 1.00 0.00 H new ATOM 0 HG2 MET A 907 18.956 2.151 2.401 1.00 0.00 H new ATOM 0 HG3 MET A 907 18.689 3.717 3.141 1.00 0.00 H new ATOM 0 HE1 MET A 907 21.780 4.133 5.546 1.00 0.00 H new ATOM 0 HE2 MET A 907 20.150 4.703 5.117 1.00 0.00 H new ATOM 0 HE3 MET A 907 20.348 3.305 6.201 1.00 0.00 H new ATOM 1054 N GLN A 908 17.596 5.233 5.131 1.00 0.00 N ATOM 1055 CA GLN A 908 17.053 6.496 4.741 1.00 0.00 C ATOM 1056 C GLN A 908 17.181 6.728 3.266 1.00 0.00 C ATOM 1057 O GLN A 908 18.033 6.127 2.593 1.00 0.00 O ATOM 1058 CB GLN A 908 17.614 7.634 5.568 1.00 0.00 C ATOM 1059 CG GLN A 908 17.298 7.471 7.048 1.00 0.00 C ATOM 1060 CD GLN A 908 15.805 7.336 7.315 1.00 0.00 C ATOM 1061 OE1 GLN A 908 15.248 6.234 7.321 1.00 0.00 O ATOM 1062 NE2 GLN A 908 15.150 8.431 7.522 1.00 0.00 N ATOM 0 H GLN A 908 18.534 5.274 5.530 1.00 0.00 H new ATOM 0 HA GLN A 908 15.984 6.467 4.952 1.00 0.00 H new ATOM 0 HB2 GLN A 908 18.694 7.684 5.431 1.00 0.00 H new ATOM 0 HB3 GLN A 908 17.203 8.579 5.211 1.00 0.00 H new ATOM 0 HG2 GLN A 908 17.813 6.590 7.431 1.00 0.00 H new ATOM 0 HG3 GLN A 908 17.685 8.330 7.596 1.00 0.00 H new ATOM 0 HE21 GLN A 908 15.638 9.327 7.511 1.00 0.00 H new ATOM 0 HE22 GLN A 908 14.146 8.399 7.696 1.00 0.00 H new ATOM 1071 N TRP A 909 16.347 7.578 2.775 1.00 0.00 N ATOM 1072 CA TRP A 909 16.221 7.841 1.372 1.00 0.00 C ATOM 1073 C TRP A 909 15.745 9.252 1.223 1.00 0.00 C ATOM 1074 O TRP A 909 14.983 9.745 2.075 1.00 0.00 O ATOM 1075 CB TRP A 909 15.204 6.856 0.742 1.00 0.00 C ATOM 1076 CG TRP A 909 14.966 7.042 -0.735 1.00 0.00 C ATOM 1077 CD1 TRP A 909 15.647 6.451 -1.761 1.00 0.00 C ATOM 1078 CD2 TRP A 909 13.962 7.867 -1.344 1.00 0.00 C ATOM 1079 NE1 TRP A 909 15.132 6.867 -2.969 1.00 0.00 N ATOM 1080 CE2 TRP A 909 14.098 7.738 -2.735 1.00 0.00 C ATOM 1081 CE3 TRP A 909 12.964 8.706 -0.840 1.00 0.00 C ATOM 1082 CZ2 TRP A 909 13.272 8.416 -3.625 1.00 0.00 C ATOM 1083 CZ3 TRP A 909 12.150 9.378 -1.721 1.00 0.00 C ATOM 1084 CH2 TRP A 909 12.307 9.231 -3.099 1.00 0.00 C ATOM 0 H TRP A 909 15.711 8.129 3.352 1.00 0.00 H new ATOM 0 HA TRP A 909 17.175 7.708 0.863 1.00 0.00 H new ATOM 0 HB2 TRP A 909 15.554 5.838 0.913 1.00 0.00 H new ATOM 0 HB3 TRP A 909 14.252 6.958 1.263 1.00 0.00 H new ATOM 0 HD1 TRP A 909 16.468 5.760 -1.643 1.00 0.00 H new ATOM 0 HE1 TRP A 909 15.465 6.575 -3.888 1.00 0.00 H new ATOM 0 HE3 TRP A 909 12.834 8.825 0.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 13.388 8.303 -4.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 11.377 10.030 -1.340 1.00 0.00 H new ATOM 0 HH2 TRP A 909 11.652 9.773 -3.766 1.00 0.00 H new ATOM 1095 N PHE A 910 16.192 9.893 0.186 1.00 0.00 N ATOM 1096 CA PHE A 910 15.860 11.254 -0.093 1.00 0.00 C ATOM 1097 C PHE A 910 15.523 11.311 -1.568 1.00 0.00 C ATOM 1098 O PHE A 910 16.119 10.565 -2.356 1.00 0.00 O ATOM 1099 CB PHE A 910 17.055 12.171 0.255 1.00 0.00 C ATOM 1100 CG PHE A 910 17.527 12.027 1.682 1.00 0.00 C ATOM 1101 CD1 PHE A 910 16.938 12.749 2.694 1.00 0.00 C ATOM 1102 CD2 PHE A 910 18.553 11.145 2.006 1.00 0.00 C ATOM 1103 CE1 PHE A 910 17.349 12.596 4.000 1.00 0.00 C ATOM 1104 CE2 PHE A 910 18.968 10.991 3.307 1.00 0.00 C ATOM 1105 CZ PHE A 910 18.362 11.716 4.307 1.00 0.00 C ATOM 0 H PHE A 910 16.813 9.472 -0.505 1.00 0.00 H new ATOM 0 HA PHE A 910 15.016 11.601 0.504 1.00 0.00 H new ATOM 0 HB2 PHE A 910 17.883 11.947 -0.418 1.00 0.00 H new ATOM 0 HB3 PHE A 910 16.771 13.208 0.077 1.00 0.00 H new ATOM 0 HD1 PHE A 910 16.144 13.444 2.462 1.00 0.00 H new ATOM 0 HD2 PHE A 910 19.030 10.573 1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 910 16.875 13.168 4.784 1.00 0.00 H new ATOM 0 HE2 PHE A 910 19.767 10.304 3.544 1.00 0.00 H new ATOM 0 HZ PHE A 910 18.681 11.595 5.332 1.00 0.00 H new ATOM 1115 N CYS A 911 14.572 12.131 -1.929 1.00 0.00 N ATOM 1116 CA CYS A 911 14.082 12.207 -3.297 1.00 0.00 C ATOM 1117 C CYS A 911 15.128 12.797 -4.266 1.00 0.00 C ATOM 1118 O CYS A 911 16.136 13.330 -3.828 1.00 0.00 O ATOM 1119 CB CYS A 911 12.799 13.043 -3.294 1.00 0.00 C ATOM 1120 SG CYS A 911 12.977 14.745 -2.698 1.00 0.00 S ATOM 0 H CYS A 911 14.107 12.772 -1.286 1.00 0.00 H new ATOM 0 HA CYS A 911 13.879 11.199 -3.658 1.00 0.00 H new ATOM 0 HB2 CYS A 911 12.403 13.072 -4.309 1.00 0.00 H new ATOM 0 HB3 CYS A 911 12.057 12.536 -2.676 1.00 0.00 H new ATOM 1125 N PRO A 912 14.896 12.732 -5.617 1.00 0.00 N ATOM 1126 CA PRO A 912 15.788 13.353 -6.631 1.00 0.00 C ATOM 1127 C PRO A 912 15.907 14.893 -6.483 1.00 0.00 C ATOM 1128 O PRO A 912 16.513 15.567 -7.327 1.00 0.00 O ATOM 1129 CB PRO A 912 15.123 12.998 -7.970 1.00 0.00 C ATOM 1130 CG PRO A 912 13.723 12.649 -7.608 1.00 0.00 C ATOM 1131 CD PRO A 912 13.820 11.980 -6.275 1.00 0.00 C ATOM 0 HA PRO A 912 16.809 12.986 -6.531 1.00 0.00 H new ATOM 0 HB2 PRO A 912 15.156 13.837 -8.665 1.00 0.00 H new ATOM 0 HB3 PRO A 912 15.628 12.163 -8.455 1.00 0.00 H new ATOM 0 HG2 PRO A 912 13.095 13.539 -7.558 1.00 0.00 H new ATOM 0 HG3 PRO A 912 13.278 11.986 -8.350 1.00 0.00 H new ATOM 0 HD2 PRO A 912 12.884 12.043 -5.721 1.00 0.00 H new ATOM 0 HD3 PRO A 912 14.064 10.922 -6.369 1.00 0.00 H new ATOM 1139 N LYS A 913 15.246 15.428 -5.480 1.00 0.00 N ATOM 1140 CA LYS A 913 15.386 16.798 -5.078 1.00 0.00 C ATOM 1141 C LYS A 913 16.363 16.864 -3.893 1.00 0.00 C ATOM 1142 O LYS A 913 17.440 17.473 -3.979 1.00 0.00 O ATOM 1143 CB LYS A 913 14.031 17.379 -4.674 1.00 0.00 C ATOM 1144 CG LYS A 913 13.021 17.516 -5.805 1.00 0.00 C ATOM 1145 CD LYS A 913 13.469 18.542 -6.825 1.00 0.00 C ATOM 1146 CE LYS A 913 12.384 18.816 -7.845 1.00 0.00 C ATOM 1147 NZ LYS A 913 12.785 19.867 -8.802 1.00 0.00 N ATOM 0 H LYS A 913 14.581 14.904 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 913 15.771 17.385 -5.912 1.00 0.00 H new ATOM 0 HB2 LYS A 913 13.600 16.747 -3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 913 14.193 18.362 -4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 913 12.886 16.551 -6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 913 12.053 17.805 -5.397 1.00 0.00 H new ATOM 0 HD2 LYS A 913 13.736 19.469 -6.318 1.00 0.00 H new ATOM 0 HD3 LYS A 913 14.366 18.186 -7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 913 12.155 17.899 -8.387 1.00 0.00 H new ATOM 0 HE3 LYS A 913 11.471 19.120 -7.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 12.017 20.027 -9.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 12.980 20.749 -8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 13.642 19.566 -9.309 1.00 0.00 H new ATOM 1161 N CYS A 914 16.019 16.157 -2.825 1.00 0.00 N ATOM 1162 CA CYS A 914 16.789 16.184 -1.595 1.00 0.00 C ATOM 1163 C CYS A 914 18.099 15.404 -1.665 1.00 0.00 C ATOM 1164 O CYS A 914 19.088 15.821 -1.098 1.00 0.00 O ATOM 1165 CB CYS A 914 15.926 15.747 -0.418 1.00 0.00 C ATOM 1166 SG CYS A 914 14.639 16.939 -0.001 1.00 0.00 S ATOM 0 H CYS A 914 15.200 15.551 -2.790 1.00 0.00 H new ATOM 0 HA CYS A 914 17.092 17.220 -1.442 1.00 0.00 H new ATOM 0 HB2 CYS A 914 15.463 14.788 -0.651 1.00 0.00 H new ATOM 0 HB3 CYS A 914 16.563 15.590 0.453 1.00 0.00 H new ATOM 1171 N ALA A 915 18.119 14.317 -2.376 1.00 0.00 N ATOM 1172 CA ALA A 915 19.331 13.525 -2.505 1.00 0.00 C ATOM 1173 C ALA A 915 20.259 14.163 -3.515 1.00 0.00 C ATOM 1174 O ALA A 915 21.457 13.875 -3.566 1.00 0.00 O ATOM 1175 CB ALA A 915 19.006 12.103 -2.917 1.00 0.00 C ATOM 0 H ALA A 915 17.314 13.948 -2.881 1.00 0.00 H new ATOM 0 HA ALA A 915 19.827 13.493 -1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 915 19.929 11.530 -3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 915 18.366 11.643 -2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 915 18.489 12.111 -3.877 1.00 0.00 H new ATOM 1181 N ASN A 916 19.697 15.054 -4.282 1.00 0.00 N ATOM 1182 CA ASN A 916 20.392 15.728 -5.356 1.00 0.00 C ATOM 1183 C ASN A 916 21.114 16.928 -4.801 1.00 0.00 C ATOM 1184 O ASN A 916 22.281 17.146 -5.098 1.00 0.00 O ATOM 1185 CB ASN A 916 19.381 16.158 -6.420 1.00 0.00 C ATOM 1186 CG ASN A 916 19.979 16.705 -7.711 1.00 0.00 C ATOM 1187 OD1 ASN A 916 21.030 17.332 -7.741 1.00 0.00 O ATOM 1188 ND2 ASN A 916 19.306 16.451 -8.791 1.00 0.00 N ATOM 0 H ASN A 916 18.724 15.342 -4.181 1.00 0.00 H new ATOM 0 HA ASN A 916 21.119 15.056 -5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 916 18.752 15.302 -6.666 1.00 0.00 H new ATOM 0 HB3 ASN A 916 18.730 16.919 -5.991 1.00 0.00 H new ATOM 0 HD21 ASN A 916 19.650 16.776 -9.695 1.00 0.00 H new ATOM 0 HD22 ASN A 916 18.433 15.926 -8.736 1.00 0.00 H new ATOM 1195 N LYS A 917 20.423 17.687 -3.944 1.00 0.00 N ATOM 1196 CA LYS A 917 20.998 18.885 -3.336 1.00 0.00 C ATOM 1197 C LYS A 917 22.281 18.555 -2.558 1.00 0.00 C ATOM 1198 O LYS A 917 23.271 19.292 -2.624 1.00 0.00 O ATOM 1199 CB LYS A 917 19.991 19.628 -2.435 1.00 0.00 C ATOM 1200 CG LYS A 917 19.523 18.822 -1.251 1.00 0.00 C ATOM 1201 CD LYS A 917 18.681 19.624 -0.292 1.00 0.00 C ATOM 1202 CE LYS A 917 18.315 18.776 0.909 1.00 0.00 C ATOM 1203 NZ LYS A 917 17.578 19.545 1.919 1.00 0.00 N ATOM 0 H LYS A 917 19.464 17.490 -3.657 1.00 0.00 H new ATOM 0 HA LYS A 917 21.255 19.556 -4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 917 20.450 20.550 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 917 19.126 19.914 -3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 917 18.947 17.967 -1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 917 20.390 18.426 -0.722 1.00 0.00 H new ATOM 0 HD2 LYS A 917 19.227 20.510 0.031 1.00 0.00 H new ATOM 0 HD3 LYS A 917 17.777 19.971 -0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 917 17.710 17.929 0.585 1.00 0.00 H new ATOM 0 HE3 LYS A 917 19.222 18.367 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 17.596 19.035 2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 18.022 20.478 2.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 16.592 19.668 1.611 1.00 0.00 H new ATOM 1217 N ILE A 918 22.270 17.398 -1.901 1.00 0.00 N ATOM 1218 CA ILE A 918 23.399 16.911 -1.101 1.00 0.00 C ATOM 1219 C ILE A 918 24.609 16.685 -2.011 1.00 0.00 C ATOM 1220 O ILE A 918 25.770 16.852 -1.619 1.00 0.00 O ATOM 1221 CB ILE A 918 23.042 15.553 -0.408 1.00 0.00 C ATOM 1222 CG1 ILE A 918 21.735 15.677 0.388 1.00 0.00 C ATOM 1223 CG2 ILE A 918 24.176 15.087 0.504 1.00 0.00 C ATOM 1224 CD1 ILE A 918 21.300 14.393 1.083 1.00 0.00 C ATOM 0 H ILE A 918 21.471 16.764 -1.907 1.00 0.00 H new ATOM 0 HA ILE A 918 23.625 17.657 -0.339 1.00 0.00 H new ATOM 0 HB ILE A 918 22.904 14.806 -1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 918 21.852 16.460 1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 918 20.941 15.998 -0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 918 23.901 14.142 0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 918 25.083 14.950 -0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 918 24.354 15.836 1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 918 20.369 14.568 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 918 21.147 13.611 0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 918 22.072 14.080 1.786 1.00 0.00 H new ATOM 1236 N LYS A 919 24.322 16.357 -3.242 1.00 0.00 N ATOM 1237 CA LYS A 919 25.335 16.033 -4.189 1.00 0.00 C ATOM 1238 C LYS A 919 25.564 17.176 -5.172 1.00 0.00 C ATOM 1239 O LYS A 919 26.131 16.963 -6.251 1.00 0.00 O ATOM 1240 CB LYS A 919 24.971 14.743 -4.929 1.00 0.00 C ATOM 1241 CG LYS A 919 24.790 13.525 -4.024 1.00 0.00 C ATOM 1242 CD LYS A 919 26.051 13.212 -3.226 1.00 0.00 C ATOM 1243 CE LYS A 919 25.896 11.951 -2.371 1.00 0.00 C ATOM 1244 NZ LYS A 919 25.618 10.748 -3.184 1.00 0.00 N ATOM 0 H LYS A 919 23.372 16.309 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 919 26.268 15.876 -3.648 1.00 0.00 H new ATOM 0 HB2 LYS A 919 24.049 14.906 -5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 919 25.750 14.525 -5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 919 23.962 13.703 -3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 919 24.521 12.660 -4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 919 26.890 13.084 -3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 919 26.291 14.058 -2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 919 26.807 11.793 -1.793 1.00 0.00 H new ATOM 0 HE3 LYS A 919 25.087 12.098 -1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 919 25.722 9.898 -2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 919 24.647 10.796 -3.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 919 26.289 10.703 -3.977 1.00 0.00 H new ATOM 1258 N LYS A 920 25.139 18.382 -4.818 1.00 0.00 N ATOM 1259 CA LYS A 920 25.390 19.523 -5.688 1.00 0.00 C ATOM 1260 C LYS A 920 26.069 20.672 -4.935 1.00 0.00 C ATOM 1261 O LYS A 920 26.588 21.598 -5.559 1.00 0.00 O ATOM 1262 CB LYS A 920 24.101 20.011 -6.396 1.00 0.00 C ATOM 1263 CG LYS A 920 23.128 20.793 -5.526 1.00 0.00 C ATOM 1264 CD LYS A 920 21.840 21.114 -6.289 1.00 0.00 C ATOM 1265 CE LYS A 920 20.887 21.966 -5.465 1.00 0.00 C ATOM 1266 NZ LYS A 920 19.611 22.243 -6.167 1.00 0.00 N ATOM 0 H LYS A 920 24.632 18.593 -3.958 1.00 0.00 H new ATOM 0 HA LYS A 920 26.077 19.179 -6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 920 24.387 20.636 -7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 920 23.581 19.144 -6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 920 22.890 20.216 -4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 920 23.597 21.719 -5.193 1.00 0.00 H new ATOM 0 HD2 LYS A 920 22.087 21.637 -7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 920 21.344 20.185 -6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 920 20.676 21.459 -4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 920 21.372 22.910 -5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 920 19.000 22.827 -5.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 920 19.806 22.751 -7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 920 19.130 21.346 -6.381 1.00 0.00 H new ATOM 1280 N ASP A 921 26.072 20.624 -3.609 1.00 0.00 N ATOM 1281 CA ASP A 921 26.696 21.705 -2.838 1.00 0.00 C ATOM 1282 C ASP A 921 28.224 21.578 -2.752 1.00 0.00 C ATOM 1283 O ASP A 921 28.946 22.239 -3.499 1.00 0.00 O ATOM 1284 CB ASP A 921 26.025 21.972 -1.453 1.00 0.00 C ATOM 1285 CG ASP A 921 25.869 20.769 -0.521 1.00 0.00 C ATOM 1286 OD1 ASP A 921 26.871 20.175 -0.114 1.00 0.00 O ATOM 1287 OD2 ASP A 921 24.721 20.434 -0.157 1.00 0.00 O ATOM 0 H ASP A 921 25.663 19.873 -3.052 1.00 0.00 H new ATOM 0 HA ASP A 921 26.501 22.607 -3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 921 26.609 22.732 -0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 921 25.036 22.396 -1.630 1.00 0.00 H new ATOM 1292 N LYS A 922 28.718 20.737 -1.878 1.00 0.00 N ATOM 1293 CA LYS A 922 30.158 20.517 -1.744 1.00 0.00 C ATOM 1294 C LYS A 922 30.607 19.428 -2.692 1.00 0.00 C ATOM 1295 O LYS A 922 31.797 19.156 -2.841 1.00 0.00 O ATOM 1296 CB LYS A 922 30.521 20.114 -0.306 1.00 0.00 C ATOM 1297 CG LYS A 922 29.851 18.824 0.165 1.00 0.00 C ATOM 1298 CD LYS A 922 30.346 18.342 1.532 1.00 0.00 C ATOM 1299 CE LYS A 922 31.726 17.650 1.489 1.00 0.00 C ATOM 1300 NZ LYS A 922 32.861 18.547 1.163 1.00 0.00 N ATOM 0 H LYS A 922 28.148 20.184 -1.238 1.00 0.00 H new ATOM 0 HA LYS A 922 30.664 21.451 -1.988 1.00 0.00 H new ATOM 0 HB2 LYS A 922 31.602 19.997 -0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 922 30.242 20.923 0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 922 28.773 18.980 0.212 1.00 0.00 H new ATOM 0 HG3 LYS A 922 30.028 18.042 -0.573 1.00 0.00 H new ATOM 0 HD2 LYS A 922 30.399 19.194 2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 922 29.615 17.648 1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 922 31.914 17.186 2.457 1.00 0.00 H new ATOM 0 HE3 LYS A 922 31.692 16.848 0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 33.709 18.235 1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 33.046 18.516 0.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 32.625 19.521 1.442 1.00 0.00 H new ATOM 1314 N LYS A 923 29.650 18.816 -3.323 1.00 0.00 N ATOM 1315 CA LYS A 923 29.902 17.715 -4.187 1.00 0.00 C ATOM 1316 C LYS A 923 29.892 18.142 -5.643 1.00 0.00 C ATOM 1317 O LYS A 923 28.917 18.712 -6.138 1.00 0.00 O ATOM 1318 CB LYS A 923 28.881 16.602 -3.923 1.00 0.00 C ATOM 1319 CG LYS A 923 28.997 15.384 -4.835 1.00 0.00 C ATOM 1320 CD LYS A 923 30.370 14.750 -4.761 1.00 0.00 C ATOM 1321 CE LYS A 923 30.456 13.517 -5.636 1.00 0.00 C ATOM 1322 NZ LYS A 923 30.142 13.801 -7.055 1.00 0.00 N ATOM 0 H LYS A 923 28.666 19.073 -3.248 1.00 0.00 H new ATOM 0 HA LYS A 923 30.899 17.328 -3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 923 28.985 16.273 -2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 923 27.879 17.018 -4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 923 28.242 14.649 -4.556 1.00 0.00 H new ATOM 0 HG3 LYS A 923 28.789 15.680 -5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 923 31.124 15.473 -5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 923 30.594 14.482 -3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 923 31.459 13.097 -5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 923 29.767 12.761 -5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 923 30.425 12.990 -7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 923 29.120 13.964 -7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 923 30.660 14.649 -7.362 1.00 0.00 H new ATOM 1336 N HIS A 924 30.990 17.909 -6.291 1.00 0.00 N ATOM 1337 CA HIS A 924 31.139 18.136 -7.697 1.00 0.00 C ATOM 1338 C HIS A 924 31.830 16.915 -8.264 1.00 0.00 C ATOM 1339 O HIS A 924 33.047 16.940 -8.463 1.00 0.00 O ATOM 1340 CB HIS A 924 31.952 19.429 -7.960 1.00 0.00 C ATOM 1341 CG HIS A 924 32.218 19.722 -9.416 1.00 0.00 C ATOM 1342 ND1 HIS A 924 31.272 20.233 -10.270 1.00 0.00 N ATOM 1343 CD2 HIS A 924 33.341 19.571 -10.158 1.00 0.00 C ATOM 1344 CE1 HIS A 924 31.791 20.385 -11.464 1.00 0.00 C ATOM 1345 NE2 HIS A 924 33.042 19.993 -11.423 1.00 0.00 N ATOM 1346 OXT HIS A 924 31.167 15.873 -8.407 1.00 0.00 O ATOM 0 H HIS A 924 31.832 17.545 -5.845 1.00 0.00 H new ATOM 0 HA HIS A 924 30.172 18.281 -8.179 1.00 0.00 H new ATOM 0 HB2 HIS A 924 31.416 20.273 -7.526 1.00 0.00 H new ATOM 0 HB3 HIS A 924 32.906 19.354 -7.438 1.00 0.00 H new ATOM 0 HD2 HIS A 924 34.292 19.190 -9.815 1.00 0.00 H new ATOM 0 HE1 HIS A 924 31.276 20.768 -12.333 1.00 0.00 H new ATOM 0 HE2 HIS A 924 33.690 20.002 -12.211 1.00 0.00 H new TER 1355 HIS A 924 HETATM 1356 ZN ZN A 940 12.775 15.731 -0.711 1.00 0.00 ZN HETATM 1357 ZN ZN A 941 4.045 9.856 -9.550 1.00 0.00 ZN