USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=21 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= 0 X(o=0,f=0) USER MOD Single : A 853 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 855 MET CE :methyl -160:sc= -0.145 (180deg=-0.676) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= -0.638 X(o=-0.64,f=-0.64) USER MOD Single : A 866 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 870 CYS SG : rot -174:sc= 1.36 USER MOD Single : A 874 ASN : amide:sc= -0.0724 K(o=-0.072,f=-1.4) USER MOD Single : A 875 LYS NZ :NH3+ -166:sc= -0.0298 (180deg=-0.232) USER MOD Single : A 880 SER OG : rot 180:sc= -0.918 USER MOD Single : A 882 MET CE :methyl -135:sc= -0.106 (180deg=-0.461) USER MOD Single : A 892 TYR OH : rot 41:sc= 0.553 USER MOD Single : A 900 MET CE :methyl 163:sc= -0.0631 (180deg=-0.422) USER MOD Single : A 907 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 908 GLN :FLIP amide:sc= -0.0146 F(o=-1.1,f=-0.015) USER MOD Single : A 913 LYS NZ :NH3+ -179:sc= 1.81 (180deg=1.73) USER MOD Single : A 916 ASN : amide:sc= -0.149 K(o=-0.15,f=-0.92!) USER MOD Single : A 917 LYS NZ :NH3+ -160:sc= 2.23 (180deg=1.61) USER MOD Single : A 919 LYS NZ :NH3+ 158:sc= -0.162 (180deg=-0.774) USER MOD Single : A 920 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 922 LYS NZ :NH3+ -164:sc= -0.0321 (180deg=-0.307) USER MOD Single : A 923 LYS NZ :NH3+ 141:sc= -1.13 (180deg=-3.31!) USER MOD Single : A 924 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : P 1 ALA N :NH3+ -127:sc= 2.36 (180deg=-0.696) USER MOD Single : P 3 THR OG1 : rot 44:sc= 0 USER MOD Single : P 5 GLN : amide:sc= -0.234 K(o=-0.23,f=-2) USER MOD Single : P 6 THR OG1 : rot 156:sc= 0.621 USER MOD Single : P 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 10 SER OG : rot 180:sc= 0 USER MOD Single : P 11 THR OG1 : rot -91:sc= 0.708 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 13.554 5.441 4.541 1.00 0.00 N ATOM 2 CA ALA P 1 12.748 5.242 3.347 1.00 0.00 C ATOM 3 C ALA P 1 11.493 4.570 3.754 1.00 0.00 C ATOM 4 O ALA P 1 11.482 3.384 4.067 1.00 0.00 O ATOM 5 CB ALA P 1 13.475 4.381 2.310 1.00 0.00 C ATOM 0 H1 ALA P 1 13.829 6.441 4.611 1.00 0.00 H new ATOM 0 H2 ALA P 1 13.002 5.174 5.381 1.00 0.00 H new ATOM 0 H3 ALA P 1 14.408 4.850 4.486 1.00 0.00 H new ATOM 0 HA ALA P 1 12.548 6.209 2.886 1.00 0.00 H new ATOM 0 HB1 ALA P 1 12.841 4.255 1.433 1.00 0.00 H new ATOM 0 HB2 ALA P 1 14.405 4.870 2.019 1.00 0.00 H new ATOM 0 HB3 ALA P 1 13.698 3.404 2.740 1.00 0.00 H new ATOM 13 N ARG P 2 10.443 5.321 3.796 1.00 0.00 N ATOM 14 CA ARG P 2 9.196 4.794 4.234 1.00 0.00 C ATOM 15 C ARG P 2 8.467 4.274 3.021 1.00 0.00 C ATOM 16 O ARG P 2 8.168 5.033 2.119 1.00 0.00 O ATOM 17 CB ARG P 2 8.392 5.887 4.909 1.00 0.00 C ATOM 18 CG ARG P 2 7.396 5.374 5.901 1.00 0.00 C ATOM 19 CD ARG P 2 6.691 6.520 6.596 1.00 0.00 C ATOM 20 NE ARG P 2 5.719 6.073 7.600 1.00 0.00 N ATOM 21 CZ ARG P 2 5.233 6.850 8.586 1.00 0.00 C ATOM 22 NH1 ARG P 2 5.618 8.120 8.687 1.00 0.00 N ATOM 23 NH2 ARG P 2 4.352 6.365 9.457 1.00 0.00 N ATOM 0 H ARG P 2 10.425 6.306 3.531 1.00 0.00 H new ATOM 0 HA ARG P 2 9.344 3.989 4.953 1.00 0.00 H new ATOM 0 HB2 ARG P 2 9.075 6.570 5.413 1.00 0.00 H new ATOM 0 HB3 ARG P 2 7.869 6.465 4.147 1.00 0.00 H new ATOM 0 HG2 ARG P 2 6.664 4.744 5.396 1.00 0.00 H new ATOM 0 HG3 ARG P 2 7.899 4.749 6.639 1.00 0.00 H new ATOM 0 HD2 ARG P 2 7.433 7.158 7.076 1.00 0.00 H new ATOM 0 HD3 ARG P 2 6.180 7.130 5.851 1.00 0.00 H new ATOM 0 HE ARG P 2 5.389 5.109 7.547 1.00 0.00 H new ATOM 0 HH11 ARG P 2 6.283 8.506 8.017 1.00 0.00 H new ATOM 0 HH12 ARG P 2 5.248 8.707 9.435 1.00 0.00 H new ATOM 0 HH21 ARG P 2 4.039 5.397 9.381 1.00 0.00 H new ATOM 0 HH22 ARG P 2 3.989 6.961 10.201 1.00 0.00 H new ATOM 37 N THR P 3 8.240 3.007 2.961 1.00 0.00 N ATOM 38 CA THR P 3 7.564 2.445 1.838 1.00 0.00 C ATOM 39 C THR P 3 6.214 1.887 2.221 1.00 0.00 C ATOM 40 O THR P 3 6.101 0.941 3.007 1.00 0.00 O ATOM 41 CB THR P 3 8.443 1.418 1.099 1.00 0.00 C ATOM 42 OG1 THR P 3 9.140 0.604 2.049 1.00 0.00 O ATOM 43 CG2 THR P 3 9.445 2.120 0.201 1.00 0.00 C ATOM 0 H THR P 3 8.513 2.336 3.679 1.00 0.00 H new ATOM 0 HA THR P 3 7.374 3.253 1.131 1.00 0.00 H new ATOM 0 HB THR P 3 7.799 0.791 0.483 1.00 0.00 H new ATOM 0 HG1 THR P 3 8.527 0.343 2.768 1.00 0.00 H new ATOM 0 HG21 THR P 3 10.056 1.378 -0.312 1.00 0.00 H new ATOM 0 HG22 THR P 3 8.914 2.724 -0.535 1.00 0.00 H new ATOM 0 HG23 THR P 3 10.086 2.763 0.804 1.00 0.00 H new HETATM 51 N M3L P 4 5.198 2.499 1.685 1.00 0.00 N HETATM 52 CA M3L P 4 3.832 2.140 1.964 1.00 0.00 C HETATM 53 CB M3L P 4 3.055 3.382 2.442 1.00 0.00 C HETATM 54 CG M3L P 4 2.784 4.408 1.331 1.00 0.00 C HETATM 55 CD M3L P 4 1.426 5.067 1.477 1.00 0.00 C HETATM 56 CE M3L P 4 1.463 6.159 2.545 1.00 0.00 C HETATM 57 NZ M3L P 4 0.566 7.340 2.182 1.00 0.00 N HETATM 58 C M3L P 4 3.198 1.620 0.699 1.00 0.00 C HETATM 59 O M3L P 4 3.811 1.674 -0.360 1.00 0.00 O HETATM 60 CM1 M3L P 4 0.963 7.924 0.827 1.00 0.00 C HETATM 61 CM2 M3L P 4 -0.885 6.886 2.124 1.00 0.00 C HETATM 62 CM3 M3L P 4 0.728 8.397 3.260 1.00 0.00 C HETATM 0 HM33 M3L P 4 0.433 7.982 4.224 1.00 0.00 H new HETATM 0 HM32 M3L P 4 1.770 8.714 3.305 1.00 0.00 H new HETATM 0 HM31 M3L P 4 0.097 9.255 3.026 1.00 0.00 H new HETATM 0 HM23 M3L P 4 -0.993 6.107 1.370 1.00 0.00 H new HETATM 0 HM22 M3L P 4 -1.182 6.493 3.096 1.00 0.00 H new HETATM 0 HM21 M3L P 4 -1.521 7.732 1.865 1.00 0.00 H new HETATM 0 HM13 M3L P 4 1.997 8.267 0.867 1.00 0.00 H new HETATM 0 HM12 M3L P 4 0.865 7.158 0.058 1.00 0.00 H new HETATM 0 HM11 M3L P 4 0.311 8.764 0.588 1.00 0.00 H new HETATM 0 HG3 M3L P 4 3.561 5.173 1.348 1.00 0.00 H new HETATM 0 HG2 M3L P 4 2.844 3.915 0.361 1.00 0.00 H new HETATM 0 HE3 M3L P 4 1.146 5.743 3.501 1.00 0.00 H new HETATM 0 HE2 M3L P 4 2.488 6.507 2.673 1.00 0.00 H new HETATM 0 HD3 M3L P 4 1.121 5.496 0.523 1.00 0.00 H new HETATM 0 HD2 M3L P 4 0.680 4.318 1.743 1.00 0.00 H new HETATM 0 HB3 M3L P 4 2.104 3.063 2.869 1.00 0.00 H new HETATM 0 HB2 M3L P 4 3.617 3.865 3.241 1.00 0.00 H new HETATM 0 HA M3L P 4 3.806 1.376 2.741 1.00 0.00 H new ATOM 82 N GLN P 5 1.998 1.134 0.806 1.00 0.00 N ATOM 83 CA GLN P 5 1.235 0.691 -0.318 1.00 0.00 C ATOM 84 C GLN P 5 -0.216 0.742 0.054 1.00 0.00 C ATOM 85 O GLN P 5 -0.563 0.519 1.216 1.00 0.00 O ATOM 86 CB GLN P 5 1.622 -0.722 -0.697 1.00 0.00 C ATOM 87 CG GLN P 5 0.928 -1.206 -1.939 1.00 0.00 C ATOM 88 CD GLN P 5 1.346 -2.571 -2.320 1.00 0.00 C ATOM 89 OE1 GLN P 5 2.469 -2.991 -2.059 1.00 0.00 O ATOM 90 NE2 GLN P 5 0.488 -3.272 -2.956 1.00 0.00 N ATOM 0 H GLN P 5 1.513 1.033 1.698 1.00 0.00 H new ATOM 0 HA GLN P 5 1.430 1.335 -1.175 1.00 0.00 H new ATOM 0 HB2 GLN P 5 2.700 -0.770 -0.848 1.00 0.00 H new ATOM 0 HB3 GLN P 5 1.386 -1.392 0.130 1.00 0.00 H new ATOM 0 HG2 GLN P 5 -0.150 -1.190 -1.780 1.00 0.00 H new ATOM 0 HG3 GLN P 5 1.139 -0.521 -2.760 1.00 0.00 H new ATOM 0 HE21 GLN P 5 -0.436 -2.889 -3.155 1.00 0.00 H new ATOM 0 HE22 GLN P 5 0.727 -4.214 -3.265 1.00 0.00 H new ATOM 99 N THR P 6 -1.049 1.115 -0.867 1.00 0.00 N ATOM 100 CA THR P 6 -2.450 1.096 -0.616 1.00 0.00 C ATOM 101 C THR P 6 -3.028 -0.287 -1.025 1.00 0.00 C ATOM 102 O THR P 6 -3.581 -1.002 -0.184 1.00 0.00 O ATOM 103 CB THR P 6 -3.150 2.262 -1.338 1.00 0.00 C ATOM 104 OG1 THR P 6 -2.488 3.521 -0.993 1.00 0.00 O ATOM 105 CG2 THR P 6 -4.604 2.342 -0.925 1.00 0.00 C ATOM 0 H THR P 6 -0.780 1.435 -1.797 1.00 0.00 H new ATOM 0 HA THR P 6 -2.635 1.236 0.449 1.00 0.00 H new ATOM 0 HB THR P 6 -3.091 2.091 -2.413 1.00 0.00 H new ATOM 0 HG1 THR P 6 -2.643 4.178 -1.704 1.00 0.00 H new ATOM 0 HG21 THR P 6 -5.085 3.171 -1.444 1.00 0.00 H new ATOM 0 HG22 THR P 6 -5.108 1.411 -1.184 1.00 0.00 H new ATOM 0 HG23 THR P 6 -4.668 2.502 0.151 1.00 0.00 H new ATOM 113 N ALA P 7 -2.849 -0.674 -2.300 1.00 0.00 N ATOM 114 CA ALA P 7 -3.278 -1.991 -2.789 1.00 0.00 C ATOM 115 C ALA P 7 -2.753 -2.266 -4.165 1.00 0.00 C ATOM 116 O ALA P 7 -1.907 -3.138 -4.353 1.00 0.00 O ATOM 117 CB ALA P 7 -4.776 -2.127 -2.840 1.00 0.00 C ATOM 0 H ALA P 7 -2.409 -0.090 -3.011 1.00 0.00 H new ATOM 0 HA ALA P 7 -2.872 -2.708 -2.076 1.00 0.00 H new ATOM 0 HB1 ALA P 7 -5.039 -3.119 -3.208 1.00 0.00 H new ATOM 0 HB2 ALA P 7 -5.188 -1.990 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA P 7 -5.187 -1.371 -3.509 1.00 0.00 H new ATOM 123 N ARG P 8 -3.248 -1.495 -5.116 1.00 0.00 N ATOM 124 CA ARG P 8 -2.960 -1.687 -6.522 1.00 0.00 C ATOM 125 C ARG P 8 -1.520 -1.486 -6.883 1.00 0.00 C ATOM 126 O ARG P 8 -1.030 -0.373 -7.056 1.00 0.00 O ATOM 127 CB ARG P 8 -3.883 -0.897 -7.426 1.00 0.00 C ATOM 128 CG ARG P 8 -5.293 -1.441 -7.454 1.00 0.00 C ATOM 129 CD ARG P 8 -6.178 -0.640 -8.378 1.00 0.00 C ATOM 130 NE ARG P 8 -6.338 0.739 -7.921 1.00 0.00 N ATOM 131 CZ ARG P 8 -7.458 1.239 -7.398 1.00 0.00 C ATOM 132 NH1 ARG P 8 -8.575 0.501 -7.352 1.00 0.00 N ATOM 133 NH2 ARG P 8 -7.467 2.465 -6.922 1.00 0.00 N ATOM 0 H ARG P 8 -3.869 -0.708 -4.929 1.00 0.00 H new ATOM 0 HA ARG P 8 -3.165 -2.743 -6.700 1.00 0.00 H new ATOM 0 HB2 ARG P 8 -3.907 0.141 -7.094 1.00 0.00 H new ATOM 0 HB3 ARG P 8 -3.479 -0.898 -8.438 1.00 0.00 H new ATOM 0 HG2 ARG P 8 -5.276 -2.482 -7.777 1.00 0.00 H new ATOM 0 HG3 ARG P 8 -5.710 -1.427 -6.447 1.00 0.00 H new ATOM 0 HD2 ARG P 8 -5.752 -0.643 -9.381 1.00 0.00 H new ATOM 0 HD3 ARG P 8 -7.156 -1.116 -8.446 1.00 0.00 H new ATOM 0 HE ARG P 8 -5.536 1.363 -8.008 1.00 0.00 H new ATOM 0 HH11 ARG P 8 -8.573 -0.451 -7.719 1.00 0.00 H new ATOM 0 HH12 ARG P 8 -9.428 0.891 -6.950 1.00 0.00 H new ATOM 0 HH21 ARG P 8 -6.619 3.031 -6.954 1.00 0.00 H new ATOM 0 HH22 ARG P 8 -8.322 2.850 -6.521 1.00 0.00 H new ATOM 147 N LYS P 9 -0.861 -2.581 -6.926 1.00 0.00 N ATOM 148 CA LYS P 9 0.516 -2.666 -7.322 1.00 0.00 C ATOM 149 C LYS P 9 0.543 -2.970 -8.826 1.00 0.00 C ATOM 150 O LYS P 9 -0.473 -3.405 -9.388 1.00 0.00 O ATOM 151 CB LYS P 9 1.178 -3.829 -6.545 1.00 0.00 C ATOM 152 CG LYS P 9 0.859 -5.218 -7.121 1.00 0.00 C ATOM 153 CD LYS P 9 0.932 -6.330 -6.098 1.00 0.00 C ATOM 154 CE LYS P 9 -0.284 -6.299 -5.180 1.00 0.00 C ATOM 155 NZ LYS P 9 -0.322 -7.455 -4.271 1.00 0.00 N ATOM 0 H LYS P 9 -1.269 -3.483 -6.680 1.00 0.00 H new ATOM 0 HA LYS P 9 1.051 -1.740 -7.112 1.00 0.00 H new ATOM 0 HB2 LYS P 9 2.258 -3.685 -6.544 1.00 0.00 H new ATOM 0 HB3 LYS P 9 0.851 -3.793 -5.506 1.00 0.00 H new ATOM 0 HG2 LYS P 9 -0.140 -5.201 -7.556 1.00 0.00 H new ATOM 0 HG3 LYS P 9 1.555 -5.435 -7.931 1.00 0.00 H new ATOM 0 HD2 LYS P 9 0.987 -7.294 -6.604 1.00 0.00 H new ATOM 0 HD3 LYS P 9 1.842 -6.228 -5.507 1.00 0.00 H new ATOM 0 HE2 LYS P 9 -0.273 -5.379 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS P 9 -1.192 -6.283 -5.783 1.00 0.00 H new ATOM 0 HZ1 LYS P 9 -1.165 -7.393 -3.665 1.00 0.00 H new ATOM 0 HZ2 LYS P 9 -0.359 -8.333 -4.827 1.00 0.00 H new ATOM 0 HZ3 LYS P 9 0.532 -7.458 -3.677 1.00 0.00 H new ATOM 169 N SER P 10 1.648 -2.737 -9.465 1.00 0.00 N ATOM 170 CA SER P 10 1.798 -3.111 -10.840 1.00 0.00 C ATOM 171 C SER P 10 2.308 -4.544 -10.902 1.00 0.00 C ATOM 172 O SER P 10 3.429 -4.832 -10.467 1.00 0.00 O ATOM 173 CB SER P 10 2.764 -2.158 -11.537 1.00 0.00 C ATOM 174 OG SER P 10 2.304 -0.822 -11.403 1.00 0.00 O ATOM 0 H SER P 10 2.465 -2.286 -9.054 1.00 0.00 H new ATOM 0 HA SER P 10 0.838 -3.049 -11.353 1.00 0.00 H new ATOM 0 HB2 SER P 10 3.760 -2.254 -11.104 1.00 0.00 H new ATOM 0 HB3 SER P 10 2.848 -2.419 -12.592 1.00 0.00 H new ATOM 0 HG SER P 10 2.929 -0.214 -11.851 1.00 0.00 H new ATOM 180 N THR P 11 1.483 -5.444 -11.362 1.00 0.00 N ATOM 181 CA THR P 11 1.873 -6.815 -11.463 1.00 0.00 C ATOM 182 C THR P 11 1.784 -7.288 -12.916 1.00 0.00 C ATOM 183 O THR P 11 0.755 -7.121 -13.591 1.00 0.00 O ATOM 184 CB THR P 11 1.060 -7.731 -10.470 1.00 0.00 C ATOM 185 OG1 THR P 11 1.491 -9.115 -10.536 1.00 0.00 O ATOM 186 CG2 THR P 11 -0.446 -7.633 -10.700 1.00 0.00 C ATOM 0 H THR P 11 0.532 -5.247 -11.673 1.00 0.00 H new ATOM 0 HA THR P 11 2.916 -6.901 -11.157 1.00 0.00 H new ATOM 0 HB THR P 11 1.271 -7.357 -9.468 1.00 0.00 H new ATOM 0 HG1 THR P 11 0.953 -9.594 -11.201 1.00 0.00 H new ATOM 0 HG21 THR P 11 -0.965 -8.281 -9.993 1.00 0.00 H new ATOM 0 HG22 THR P 11 -0.770 -6.603 -10.553 1.00 0.00 H new ATOM 0 HG23 THR P 11 -0.680 -7.945 -11.718 1.00 0.00 H new ATOM 194 N GLY P 12 2.878 -7.809 -13.415 1.00 0.00 N ATOM 195 CA GLY P 12 2.917 -8.313 -14.763 1.00 0.00 C ATOM 196 C GLY P 12 3.009 -9.802 -14.743 1.00 0.00 C ATOM 197 O GLY P 12 3.801 -10.405 -15.467 1.00 0.00 O ATOM 0 H GLY P 12 3.757 -7.895 -12.904 1.00 0.00 H new ATOM 0 HA2 GLY P 12 2.023 -8.002 -15.303 1.00 0.00 H new ATOM 0 HA3 GLY P 12 3.772 -7.894 -15.293 1.00 0.00 H new ATOM 201 N GLY P 13 2.228 -10.387 -13.891 1.00 0.00 N ATOM 202 CA GLY P 13 2.211 -11.778 -13.705 1.00 0.00 C ATOM 203 C GLY P 13 1.458 -12.048 -12.458 1.00 0.00 C ATOM 204 O GLY P 13 0.556 -11.241 -12.134 1.00 0.00 O ATOM 205 OXT GLY P 13 1.749 -13.026 -11.764 1.00 0.00 O ATOM 0 H GLY P 13 1.571 -9.883 -13.295 1.00 0.00 H new ATOM 0 HA2 GLY P 13 1.739 -12.273 -14.554 1.00 0.00 H new ATOM 0 HA3 GLY P 13 3.226 -12.168 -13.633 1.00 0.00 H new TER 209 GLY P 13 ATOM 210 N GLY A 850 7.212 31.089 5.728 1.00 0.00 N ATOM 211 CA GLY A 850 6.446 30.392 6.763 1.00 0.00 C ATOM 212 C GLY A 850 5.613 29.271 6.186 1.00 0.00 C ATOM 213 O GLY A 850 5.915 28.094 6.371 1.00 0.00 O ATOM 0 HA2 GLY A 850 7.129 29.989 7.511 1.00 0.00 H new ATOM 0 HA3 GLY A 850 5.796 31.102 7.274 1.00 0.00 H new ATOM 219 N SER A 851 4.575 29.629 5.477 1.00 0.00 N ATOM 220 CA SER A 851 3.692 28.674 4.871 1.00 0.00 C ATOM 221 C SER A 851 3.630 28.946 3.376 1.00 0.00 C ATOM 222 O SER A 851 3.805 30.094 2.952 1.00 0.00 O ATOM 223 CB SER A 851 2.303 28.826 5.482 1.00 0.00 C ATOM 224 OG SER A 851 2.351 28.723 6.904 1.00 0.00 O ATOM 0 H SER A 851 4.318 30.601 5.304 1.00 0.00 H new ATOM 0 HA SER A 851 4.053 27.660 5.043 1.00 0.00 H new ATOM 0 HB2 SER A 851 1.882 29.791 5.199 1.00 0.00 H new ATOM 0 HB3 SER A 851 1.641 28.059 5.081 1.00 0.00 H new ATOM 0 HG SER A 851 1.448 28.826 7.270 1.00 0.00 H new ATOM 230 N HIS A 852 3.426 27.916 2.581 1.00 0.00 N ATOM 231 CA HIS A 852 3.290 28.105 1.141 1.00 0.00 C ATOM 232 C HIS A 852 1.933 28.717 0.837 1.00 0.00 C ATOM 233 O HIS A 852 1.811 29.578 -0.031 1.00 0.00 O ATOM 234 CB HIS A 852 3.447 26.787 0.361 1.00 0.00 C ATOM 235 CG HIS A 852 4.787 26.127 0.460 1.00 0.00 C ATOM 236 ND1 HIS A 852 5.836 26.524 -0.332 1.00 0.00 N ATOM 237 CD2 HIS A 852 5.187 25.098 1.237 1.00 0.00 C ATOM 238 CE1 HIS A 852 6.845 25.732 -0.022 1.00 0.00 C ATOM 239 NE2 HIS A 852 6.500 24.853 0.922 1.00 0.00 N ATOM 0 H HIS A 852 3.351 26.949 2.896 1.00 0.00 H new ATOM 0 HA HIS A 852 4.089 28.773 0.820 1.00 0.00 H new ATOM 0 HB2 HIS A 852 2.691 26.086 0.714 1.00 0.00 H new ATOM 0 HB3 HIS A 852 3.236 26.982 -0.690 1.00 0.00 H new ATOM 0 HD2 HIS A 852 4.589 24.570 1.965 1.00 0.00 H new ATOM 0 HE1 HIS A 852 7.824 25.788 -0.474 1.00 0.00 H new ATOM 0 HE2 HIS A 852 7.099 24.136 1.331 1.00 0.00 H new ATOM 247 N MET A 853 0.911 28.226 1.558 1.00 0.00 N ATOM 248 CA MET A 853 -0.498 28.686 1.475 1.00 0.00 C ATOM 249 C MET A 853 -1.140 28.295 0.123 1.00 0.00 C ATOM 250 O MET A 853 -2.304 28.589 -0.155 1.00 0.00 O ATOM 251 CB MET A 853 -0.617 30.207 1.749 1.00 0.00 C ATOM 252 CG MET A 853 -2.036 30.676 2.035 1.00 0.00 C ATOM 253 SD MET A 853 -2.711 29.901 3.526 1.00 0.00 S ATOM 254 CE MET A 853 -4.369 30.578 3.535 1.00 0.00 C ATOM 0 H MET A 853 1.039 27.476 2.237 1.00 0.00 H new ATOM 0 HA MET A 853 -1.057 28.174 2.259 1.00 0.00 H new ATOM 0 HB2 MET A 853 0.017 30.463 2.598 1.00 0.00 H new ATOM 0 HB3 MET A 853 -0.232 30.752 0.887 1.00 0.00 H new ATOM 0 HG2 MET A 853 -2.044 31.760 2.153 1.00 0.00 H new ATOM 0 HG3 MET A 853 -2.675 30.443 1.183 1.00 0.00 H new ATOM 0 HE1 MET A 853 -4.914 30.194 4.397 1.00 0.00 H new ATOM 0 HE2 MET A 853 -4.318 31.665 3.593 1.00 0.00 H new ATOM 0 HE3 MET A 853 -4.886 30.288 2.620 1.00 0.00 H new ATOM 264 N ALA A 854 -0.383 27.579 -0.658 1.00 0.00 N ATOM 265 CA ALA A 854 -0.752 27.085 -1.955 1.00 0.00 C ATOM 266 C ALA A 854 0.267 26.027 -2.286 1.00 0.00 C ATOM 267 O ALA A 854 1.122 25.754 -1.443 1.00 0.00 O ATOM 268 CB ALA A 854 -0.719 28.205 -2.992 1.00 0.00 C ATOM 0 H ALA A 854 0.564 27.308 -0.391 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.767 26.687 -1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -1.002 27.807 -3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -1.419 28.989 -2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 854 0.288 28.620 -3.048 1.00 0.00 H new ATOM 274 N MET A 855 0.207 25.464 -3.497 1.00 0.00 N ATOM 275 CA MET A 855 1.122 24.395 -3.932 1.00 0.00 C ATOM 276 C MET A 855 1.146 23.251 -2.925 1.00 0.00 C ATOM 277 O MET A 855 2.088 23.106 -2.133 1.00 0.00 O ATOM 278 CB MET A 855 2.555 24.912 -4.179 1.00 0.00 C ATOM 279 CG MET A 855 2.673 25.975 -5.260 1.00 0.00 C ATOM 280 SD MET A 855 4.378 26.530 -5.520 1.00 0.00 S ATOM 281 CE MET A 855 4.801 27.148 -3.889 1.00 0.00 C ATOM 0 H MET A 855 -0.475 25.734 -4.205 1.00 0.00 H new ATOM 0 HA MET A 855 0.736 24.025 -4.882 1.00 0.00 H new ATOM 0 HB2 MET A 855 2.945 25.318 -3.246 1.00 0.00 H new ATOM 0 HB3 MET A 855 3.189 24.068 -4.449 1.00 0.00 H new ATOM 0 HG2 MET A 855 2.278 25.580 -6.196 1.00 0.00 H new ATOM 0 HG3 MET A 855 2.055 26.831 -4.990 1.00 0.00 H new ATOM 0 HE1 MET A 855 5.650 27.827 -3.966 1.00 0.00 H new ATOM 0 HE2 MET A 855 3.948 27.681 -3.469 1.00 0.00 H new ATOM 0 HE3 MET A 855 5.062 26.312 -3.240 1.00 0.00 H new ATOM 291 N ALA A 856 0.101 22.486 -2.898 1.00 0.00 N ATOM 292 CA ALA A 856 0.008 21.405 -1.959 1.00 0.00 C ATOM 293 C ALA A 856 -0.043 20.085 -2.684 1.00 0.00 C ATOM 294 O ALA A 856 -0.804 19.916 -3.636 1.00 0.00 O ATOM 295 CB ALA A 856 -1.205 21.582 -1.062 1.00 0.00 C ATOM 0 H ALA A 856 -0.704 22.587 -3.516 1.00 0.00 H new ATOM 0 HA ALA A 856 0.897 21.412 -1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 856 -1.260 20.753 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 856 -1.118 22.520 -0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 856 -2.109 21.600 -1.671 1.00 0.00 H new ATOM 301 N TYR A 857 0.771 19.158 -2.246 1.00 0.00 N ATOM 302 CA TYR A 857 0.813 17.826 -2.825 1.00 0.00 C ATOM 303 C TYR A 857 -0.071 16.867 -2.053 1.00 0.00 C ATOM 304 O TYR A 857 -0.036 15.666 -2.244 1.00 0.00 O ATOM 305 CB TYR A 857 2.233 17.300 -2.920 1.00 0.00 C ATOM 306 CG TYR A 857 3.067 17.952 -4.014 1.00 0.00 C ATOM 307 CD1 TYR A 857 2.913 17.579 -5.346 1.00 0.00 C ATOM 308 CD2 TYR A 857 4.008 18.927 -3.721 1.00 0.00 C ATOM 309 CE1 TYR A 857 3.666 18.161 -6.348 1.00 0.00 C ATOM 310 CE2 TYR A 857 4.765 19.513 -4.721 1.00 0.00 C ATOM 311 CZ TYR A 857 4.590 19.127 -6.029 1.00 0.00 C ATOM 312 OH TYR A 857 5.349 19.709 -7.017 1.00 0.00 O ATOM 0 H TYR A 857 1.427 19.299 -1.477 1.00 0.00 H new ATOM 0 HA TYR A 857 0.424 17.901 -3.840 1.00 0.00 H new ATOM 0 HB2 TYR A 857 2.729 17.451 -1.961 1.00 0.00 H new ATOM 0 HB3 TYR A 857 2.199 16.225 -3.096 1.00 0.00 H new ATOM 0 HD1 TYR A 857 2.190 16.819 -5.602 1.00 0.00 H new ATOM 0 HD2 TYR A 857 4.153 19.234 -2.696 1.00 0.00 H new ATOM 0 HE1 TYR A 857 3.529 17.858 -7.376 1.00 0.00 H new ATOM 0 HE2 TYR A 857 5.492 20.272 -4.474 1.00 0.00 H new ATOM 0 HH TYR A 857 5.951 20.372 -6.619 1.00 0.00 H new ATOM 322 N VAL A 858 -0.839 17.417 -1.182 1.00 0.00 N ATOM 323 CA VAL A 858 -1.846 16.687 -0.449 1.00 0.00 C ATOM 324 C VAL A 858 -3.194 17.278 -0.823 1.00 0.00 C ATOM 325 O VAL A 858 -3.373 18.501 -0.751 1.00 0.00 O ATOM 326 CB VAL A 858 -1.658 16.805 1.093 1.00 0.00 C ATOM 327 CG1 VAL A 858 -2.721 16.000 1.833 1.00 0.00 C ATOM 328 CG2 VAL A 858 -0.272 16.351 1.517 1.00 0.00 C ATOM 0 H VAL A 858 -0.795 18.408 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 858 -1.770 15.630 -0.706 1.00 0.00 H new ATOM 0 HB VAL A 858 -1.769 17.857 1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 858 -2.569 16.098 2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 858 -3.710 16.376 1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 858 -2.645 14.950 1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 858 -0.173 16.446 2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 858 -0.126 15.310 1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 858 0.479 16.971 1.028 1.00 0.00 H new ATOM 338 N ILE A 859 -4.101 16.453 -1.281 1.00 0.00 N ATOM 339 CA ILE A 859 -5.441 16.906 -1.610 1.00 0.00 C ATOM 340 C ILE A 859 -6.433 16.011 -0.914 1.00 0.00 C ATOM 341 O ILE A 859 -6.047 15.004 -0.337 1.00 0.00 O ATOM 342 CB ILE A 859 -5.746 16.887 -3.151 1.00 0.00 C ATOM 343 CG1 ILE A 859 -5.730 15.452 -3.713 1.00 0.00 C ATOM 344 CG2 ILE A 859 -4.764 17.769 -3.908 1.00 0.00 C ATOM 345 CD1 ILE A 859 -6.161 15.349 -5.165 1.00 0.00 C ATOM 0 H ILE A 859 -3.941 15.458 -1.437 1.00 0.00 H new ATOM 0 HA ILE A 859 -5.520 17.942 -1.280 1.00 0.00 H new ATOM 0 HB ILE A 859 -6.750 17.288 -3.291 1.00 0.00 H new ATOM 0 HG12 ILE A 859 -4.723 15.046 -3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 859 -6.386 14.828 -3.106 1.00 0.00 H new ATOM 0 HG21 ILE A 859 -4.995 17.740 -4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 859 -4.843 18.795 -3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 859 -3.749 17.405 -3.747 1.00 0.00 H new ATOM 0 HD11 ILE A 859 -6.122 14.307 -5.483 1.00 0.00 H new ATOM 0 HD12 ILE A 859 -7.180 15.722 -5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 859 -5.491 15.943 -5.786 1.00 0.00 H new ATOM 357 N ARG A 860 -7.682 16.375 -0.925 1.00 0.00 N ATOM 358 CA ARG A 860 -8.706 15.513 -0.403 1.00 0.00 C ATOM 359 C ARG A 860 -9.578 15.000 -1.507 1.00 0.00 C ATOM 360 O ARG A 860 -9.817 15.699 -2.500 1.00 0.00 O ATOM 361 CB ARG A 860 -9.547 16.183 0.672 1.00 0.00 C ATOM 362 CG ARG A 860 -8.799 16.409 1.958 1.00 0.00 C ATOM 363 CD ARG A 860 -9.699 16.965 3.038 1.00 0.00 C ATOM 364 NE ARG A 860 -8.973 17.125 4.294 1.00 0.00 N ATOM 365 CZ ARG A 860 -9.416 17.775 5.370 1.00 0.00 C ATOM 366 NH1 ARG A 860 -10.648 18.268 5.406 1.00 0.00 N ATOM 367 NH2 ARG A 860 -8.631 17.894 6.421 1.00 0.00 N ATOM 0 H ARG A 860 -8.019 17.266 -1.291 1.00 0.00 H new ATOM 0 HA ARG A 860 -8.197 14.673 0.070 1.00 0.00 H new ATOM 0 HB2 ARG A 860 -9.908 17.141 0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 860 -10.424 15.568 0.873 1.00 0.00 H new ATOM 0 HG2 ARG A 860 -8.363 15.469 2.296 1.00 0.00 H new ATOM 0 HG3 ARG A 860 -7.973 17.098 1.782 1.00 0.00 H new ATOM 0 HD2 ARG A 860 -10.101 17.927 2.721 1.00 0.00 H new ATOM 0 HD3 ARG A 860 -10.548 16.298 3.187 1.00 0.00 H new ATOM 0 HE ARG A 860 -8.046 16.703 4.353 1.00 0.00 H new ATOM 0 HH11 ARG A 860 -11.268 18.151 4.604 1.00 0.00 H new ATOM 0 HH12 ARG A 860 -10.975 18.763 6.235 1.00 0.00 H new ATOM 0 HH21 ARG A 860 -7.694 17.491 6.406 1.00 0.00 H new ATOM 0 HH22 ARG A 860 -8.960 18.389 7.250 1.00 0.00 H new ATOM 381 N ASP A 861 -10.038 13.791 -1.351 1.00 0.00 N ATOM 382 CA ASP A 861 -10.919 13.161 -2.323 1.00 0.00 C ATOM 383 C ASP A 861 -12.363 13.570 -2.017 1.00 0.00 C ATOM 384 O ASP A 861 -12.587 14.500 -1.231 1.00 0.00 O ATOM 385 CB ASP A 861 -10.767 11.633 -2.267 1.00 0.00 C ATOM 386 CG ASP A 861 -11.533 10.994 -1.139 1.00 0.00 C ATOM 387 OD1 ASP A 861 -11.363 11.386 0.021 1.00 0.00 O ATOM 388 OD2 ASP A 861 -12.332 10.108 -1.407 1.00 0.00 O ATOM 0 H ASP A 861 -9.818 13.203 -0.547 1.00 0.00 H new ATOM 0 HA ASP A 861 -10.654 13.488 -3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 861 -11.105 11.207 -3.212 1.00 0.00 H new ATOM 0 HB3 ASP A 861 -9.711 11.384 -2.165 1.00 0.00 H new ATOM 393 N GLU A 862 -13.326 12.898 -2.616 1.00 0.00 N ATOM 394 CA GLU A 862 -14.732 13.214 -2.413 1.00 0.00 C ATOM 395 C GLU A 862 -15.164 12.996 -0.959 1.00 0.00 C ATOM 396 O GLU A 862 -15.999 13.744 -0.437 1.00 0.00 O ATOM 397 CB GLU A 862 -15.606 12.409 -3.378 1.00 0.00 C ATOM 398 CG GLU A 862 -15.468 10.899 -3.242 1.00 0.00 C ATOM 399 CD GLU A 862 -16.140 10.165 -4.360 1.00 0.00 C ATOM 400 OE1 GLU A 862 -15.533 10.056 -5.445 1.00 0.00 O ATOM 401 OE2 GLU A 862 -17.277 9.693 -4.202 1.00 0.00 O ATOM 0 H GLU A 862 -13.161 12.120 -3.255 1.00 0.00 H new ATOM 0 HA GLU A 862 -14.868 14.274 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -16.649 12.682 -3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -15.355 12.694 -4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -14.411 10.633 -3.219 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -15.897 10.581 -2.292 1.00 0.00 H new ATOM 408 N TRP A 863 -14.570 12.016 -0.296 1.00 0.00 N ATOM 409 CA TRP A 863 -14.942 11.716 1.071 1.00 0.00 C ATOM 410 C TRP A 863 -14.186 12.584 2.054 1.00 0.00 C ATOM 411 O TRP A 863 -14.688 12.901 3.127 1.00 0.00 O ATOM 412 CB TRP A 863 -14.765 10.237 1.388 1.00 0.00 C ATOM 413 CG TRP A 863 -15.539 9.366 0.473 1.00 0.00 C ATOM 414 CD1 TRP A 863 -16.838 9.496 0.164 1.00 0.00 C ATOM 415 CD2 TRP A 863 -15.063 8.236 -0.243 1.00 0.00 C ATOM 416 NE1 TRP A 863 -17.217 8.524 -0.725 1.00 0.00 N ATOM 417 CE2 TRP A 863 -16.138 7.732 -0.987 1.00 0.00 C ATOM 418 CE3 TRP A 863 -13.833 7.609 -0.329 1.00 0.00 C ATOM 419 CZ2 TRP A 863 -16.015 6.625 -1.809 1.00 0.00 C ATOM 420 CZ3 TRP A 863 -13.703 6.508 -1.145 1.00 0.00 C ATOM 421 CH2 TRP A 863 -14.793 6.026 -1.876 1.00 0.00 C ATOM 0 H TRP A 863 -13.836 11.422 -0.681 1.00 0.00 H new ATOM 0 HA TRP A 863 -16.002 11.947 1.176 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -13.708 9.979 1.324 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -15.077 10.049 2.415 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -17.492 10.259 0.560 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -18.149 8.412 -1.124 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -12.989 7.977 0.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -16.855 6.251 -2.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -12.747 6.011 -1.221 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -14.664 5.160 -2.508 1.00 0.00 H new ATOM 432 N GLY A 864 -12.997 12.984 1.686 1.00 0.00 N ATOM 433 CA GLY A 864 -12.231 13.866 2.539 1.00 0.00 C ATOM 434 C GLY A 864 -10.990 13.205 3.081 1.00 0.00 C ATOM 435 O GLY A 864 -10.541 13.503 4.194 1.00 0.00 O ATOM 0 H GLY A 864 -12.539 12.720 0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 864 -11.949 14.756 1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 864 -12.855 14.197 3.369 1.00 0.00 H new ATOM 439 N ASN A 865 -10.439 12.316 2.313 1.00 0.00 N ATOM 440 CA ASN A 865 -9.237 11.603 2.683 1.00 0.00 C ATOM 441 C ASN A 865 -8.057 12.290 2.057 1.00 0.00 C ATOM 442 O ASN A 865 -8.198 12.901 0.993 1.00 0.00 O ATOM 443 CB ASN A 865 -9.291 10.152 2.179 1.00 0.00 C ATOM 444 CG ASN A 865 -10.481 9.382 2.705 1.00 0.00 C ATOM 445 OD1 ASN A 865 -10.415 8.763 3.760 1.00 0.00 O ATOM 446 ND2 ASN A 865 -11.574 9.417 1.985 1.00 0.00 N ATOM 0 H ASN A 865 -10.809 12.056 1.399 1.00 0.00 H new ATOM 0 HA ASN A 865 -9.149 11.596 3.769 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -9.320 10.154 1.089 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -8.376 9.638 2.472 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -12.407 8.918 2.298 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -11.593 9.943 1.111 1.00 0.00 H new ATOM 453 N GLN A 866 -6.916 12.213 2.707 1.00 0.00 N ATOM 454 CA GLN A 866 -5.699 12.799 2.184 1.00 0.00 C ATOM 455 C GLN A 866 -5.161 11.956 1.070 1.00 0.00 C ATOM 456 O GLN A 866 -4.828 10.787 1.258 1.00 0.00 O ATOM 457 CB GLN A 866 -4.635 12.957 3.259 1.00 0.00 C ATOM 458 CG GLN A 866 -4.982 13.955 4.319 1.00 0.00 C ATOM 459 CD GLN A 866 -3.927 14.033 5.417 1.00 0.00 C ATOM 460 OE1 GLN A 866 -2.989 14.936 5.285 1.00 0.00 O flip ATOM 461 NE2 GLN A 866 -3.979 13.288 6.396 1.00 0.00 N flip ATOM 0 H GLN A 866 -6.805 11.746 3.607 1.00 0.00 H new ATOM 0 HA GLN A 866 -5.951 13.792 1.812 1.00 0.00 H new ATOM 0 HB2 GLN A 866 -4.462 11.989 3.729 1.00 0.00 H new ATOM 0 HB3 GLN A 866 -3.698 13.254 2.787 1.00 0.00 H new ATOM 0 HG2 GLN A 866 -5.100 14.938 3.863 1.00 0.00 H new ATOM 0 HG3 GLN A 866 -5.943 13.691 4.761 1.00 0.00 H new ATOM 0 HE21 GLN A 866 -4.723 12.594 6.470 1.00 0.00 H new ATOM 0 HE22 GLN A 866 -3.278 13.365 7.133 1.00 0.00 H new ATOM 470 N ILE A 867 -5.107 12.527 -0.064 1.00 0.00 N ATOM 471 CA ILE A 867 -4.587 11.880 -1.224 1.00 0.00 C ATOM 472 C ILE A 867 -3.288 12.552 -1.569 1.00 0.00 C ATOM 473 O ILE A 867 -3.249 13.773 -1.772 1.00 0.00 O ATOM 474 CB ILE A 867 -5.562 11.981 -2.436 1.00 0.00 C ATOM 475 CG1 ILE A 867 -6.951 11.401 -2.091 1.00 0.00 C ATOM 476 CG2 ILE A 867 -4.977 11.292 -3.674 1.00 0.00 C ATOM 477 CD1 ILE A 867 -6.942 9.938 -1.677 1.00 0.00 C ATOM 0 H ILE A 867 -5.428 13.481 -0.230 1.00 0.00 H new ATOM 0 HA ILE A 867 -4.449 10.820 -1.011 1.00 0.00 H new ATOM 0 HB ILE A 867 -5.690 13.039 -2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 867 -7.386 11.991 -1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 867 -7.603 11.516 -2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 867 -5.678 11.378 -4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 867 -4.035 11.768 -3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 867 -4.801 10.239 -3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -7.959 9.617 -1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -6.540 9.332 -2.489 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -6.320 9.815 -0.791 1.00 0.00 H new ATOM 489 N TRP A 868 -2.240 11.793 -1.586 1.00 0.00 N ATOM 490 CA TRP A 868 -0.950 12.320 -1.899 1.00 0.00 C ATOM 491 C TRP A 868 -0.701 12.361 -3.379 1.00 0.00 C ATOM 492 O TRP A 868 -1.038 11.428 -4.120 1.00 0.00 O ATOM 493 CB TRP A 868 0.168 11.585 -1.164 1.00 0.00 C ATOM 494 CG TRP A 868 0.391 12.094 0.228 1.00 0.00 C ATOM 495 CD1 TRP A 868 1.325 13.007 0.600 1.00 0.00 C ATOM 496 CD2 TRP A 868 -0.326 11.746 1.423 1.00 0.00 C ATOM 497 NE1 TRP A 868 1.251 13.240 1.949 1.00 0.00 N ATOM 498 CE2 TRP A 868 0.244 12.484 2.479 1.00 0.00 C ATOM 499 CE3 TRP A 868 -1.386 10.886 1.704 1.00 0.00 C ATOM 500 CZ2 TRP A 868 -0.213 12.384 3.791 1.00 0.00 C ATOM 501 CZ3 TRP A 868 -1.839 10.790 3.003 1.00 0.00 C ATOM 502 CH2 TRP A 868 -1.254 11.533 4.032 1.00 0.00 C ATOM 0 H TRP A 868 -2.253 10.793 -1.384 1.00 0.00 H new ATOM 0 HA TRP A 868 -0.944 13.350 -1.542 1.00 0.00 H new ATOM 0 HB2 TRP A 868 -0.071 10.522 -1.122 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.093 11.682 -1.732 1.00 0.00 H new ATOM 0 HD1 TRP A 868 2.026 13.482 -0.071 1.00 0.00 H new ATOM 0 HE1 TRP A 868 1.852 13.876 2.473 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -1.845 10.305 0.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 0.238 12.957 4.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -2.662 10.128 3.229 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -1.633 11.432 5.038 1.00 0.00 H new ATOM 513 N ILE A 869 -0.180 13.465 -3.791 1.00 0.00 N ATOM 514 CA ILE A 869 0.211 13.722 -5.137 1.00 0.00 C ATOM 515 C ILE A 869 1.714 13.539 -5.196 1.00 0.00 C ATOM 516 O ILE A 869 2.436 14.150 -4.403 1.00 0.00 O ATOM 517 CB ILE A 869 -0.118 15.196 -5.529 1.00 0.00 C ATOM 518 CG1 ILE A 869 -1.606 15.533 -5.305 1.00 0.00 C ATOM 519 CG2 ILE A 869 0.292 15.496 -6.964 1.00 0.00 C ATOM 520 CD1 ILE A 869 -2.571 14.699 -6.110 1.00 0.00 C ATOM 0 H ILE A 869 -0.006 14.254 -3.168 1.00 0.00 H new ATOM 0 HA ILE A 869 -0.316 13.053 -5.817 1.00 0.00 H new ATOM 0 HB ILE A 869 0.468 15.835 -4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 869 -1.837 15.410 -4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 869 -1.767 16.584 -5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 869 0.048 16.531 -7.203 1.00 0.00 H new ATOM 0 HG22 ILE A 869 1.365 15.341 -7.076 1.00 0.00 H new ATOM 0 HG23 ILE A 869 -0.243 14.831 -7.642 1.00 0.00 H new ATOM 0 HD11 ILE A 869 -3.592 15.007 -5.887 1.00 0.00 H new ATOM 0 HD12 ILE A 869 -2.374 14.839 -7.173 1.00 0.00 H new ATOM 0 HD13 ILE A 869 -2.445 13.647 -5.853 1.00 0.00 H new ATOM 532 N CYS A 870 2.173 12.695 -6.091 1.00 0.00 N ATOM 533 CA CYS A 870 3.579 12.448 -6.254 1.00 0.00 C ATOM 534 C CYS A 870 4.227 13.698 -6.827 1.00 0.00 C ATOM 535 O CYS A 870 3.828 14.162 -7.893 1.00 0.00 O ATOM 536 CB CYS A 870 3.766 11.266 -7.222 1.00 0.00 C ATOM 537 SG CYS A 870 5.478 10.743 -7.591 1.00 0.00 S ATOM 0 H CYS A 870 1.578 12.162 -6.725 1.00 0.00 H new ATOM 0 HA CYS A 870 4.041 12.205 -5.297 1.00 0.00 H new ATOM 0 HB2 CYS A 870 3.233 10.408 -6.813 1.00 0.00 H new ATOM 0 HB3 CYS A 870 3.282 11.523 -8.164 1.00 0.00 H new ATOM 0 HG CYS A 870 5.462 9.822 -8.508 1.00 0.00 H new ATOM 542 N PRO A 871 5.222 14.279 -6.143 1.00 0.00 N ATOM 543 CA PRO A 871 5.935 15.443 -6.648 1.00 0.00 C ATOM 544 C PRO A 871 6.857 15.091 -7.831 1.00 0.00 C ATOM 545 O PRO A 871 7.616 15.943 -8.320 1.00 0.00 O ATOM 546 CB PRO A 871 6.756 15.930 -5.438 1.00 0.00 C ATOM 547 CG PRO A 871 6.202 15.194 -4.267 1.00 0.00 C ATOM 548 CD PRO A 871 5.695 13.895 -4.808 1.00 0.00 C ATOM 0 HA PRO A 871 5.253 16.200 -7.035 1.00 0.00 H new ATOM 0 HB2 PRO A 871 7.817 15.717 -5.571 1.00 0.00 H new ATOM 0 HB3 PRO A 871 6.661 17.008 -5.306 1.00 0.00 H new ATOM 0 HG2 PRO A 871 6.968 15.030 -3.509 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.400 15.760 -3.792 1.00 0.00 H new ATOM 0 HD2 PRO A 871 6.480 13.140 -4.856 1.00 0.00 H new ATOM 0 HD3 PRO A 871 4.893 13.484 -4.195 1.00 0.00 H new ATOM 556 N GLY A 872 6.803 13.848 -8.270 1.00 0.00 N ATOM 557 CA GLY A 872 7.569 13.430 -9.400 1.00 0.00 C ATOM 558 C GLY A 872 6.798 13.613 -10.690 1.00 0.00 C ATOM 559 O GLY A 872 7.271 14.290 -11.617 1.00 0.00 O ATOM 0 H GLY A 872 6.230 13.116 -7.850 1.00 0.00 H new ATOM 0 HA2 GLY A 872 8.496 14.002 -9.444 1.00 0.00 H new ATOM 0 HA3 GLY A 872 7.846 12.382 -9.286 1.00 0.00 H new ATOM 563 N CYS A 873 5.607 13.053 -10.747 1.00 0.00 N ATOM 564 CA CYS A 873 4.796 13.085 -11.953 1.00 0.00 C ATOM 565 C CYS A 873 3.641 14.081 -11.836 1.00 0.00 C ATOM 566 O CYS A 873 3.071 14.504 -12.852 1.00 0.00 O ATOM 567 CB CYS A 873 4.233 11.701 -12.143 1.00 0.00 C ATOM 568 SG CYS A 873 3.386 11.110 -10.661 1.00 0.00 S ATOM 0 H CYS A 873 5.173 12.564 -9.964 1.00 0.00 H new ATOM 0 HA CYS A 873 5.413 13.398 -12.795 1.00 0.00 H new ATOM 0 HB2 CYS A 873 3.537 11.704 -12.982 1.00 0.00 H new ATOM 0 HB3 CYS A 873 5.039 11.013 -12.399 1.00 0.00 H new ATOM 573 N ASN A 874 3.299 14.412 -10.590 1.00 0.00 N ATOM 574 CA ASN A 874 2.167 15.282 -10.221 1.00 0.00 C ATOM 575 C ASN A 874 0.845 14.526 -10.319 1.00 0.00 C ATOM 576 O ASN A 874 -0.241 15.130 -10.413 1.00 0.00 O ATOM 577 CB ASN A 874 2.125 16.618 -11.005 1.00 0.00 C ATOM 578 CG ASN A 874 3.315 17.521 -10.720 1.00 0.00 C ATOM 579 OD1 ASN A 874 3.901 17.503 -9.629 1.00 0.00 O ATOM 580 ND2 ASN A 874 3.692 18.312 -11.688 1.00 0.00 N ATOM 0 H ASN A 874 3.816 14.074 -9.778 1.00 0.00 H new ATOM 0 HA ASN A 874 2.326 15.565 -9.181 1.00 0.00 H new ATOM 0 HB2 ASN A 874 2.088 16.403 -12.073 1.00 0.00 H new ATOM 0 HB3 ASN A 874 1.207 17.149 -10.755 1.00 0.00 H new ATOM 0 HD21 ASN A 874 4.488 18.936 -11.556 1.00 0.00 H new ATOM 0 HD22 ASN A 874 3.191 18.306 -12.576 1.00 0.00 H new ATOM 587 N LYS A 875 0.929 13.205 -10.252 1.00 0.00 N ATOM 588 CA LYS A 875 -0.235 12.351 -10.271 1.00 0.00 C ATOM 589 C LYS A 875 -0.551 11.886 -8.850 1.00 0.00 C ATOM 590 O LYS A 875 0.365 11.692 -8.037 1.00 0.00 O ATOM 591 CB LYS A 875 0.000 11.137 -11.176 1.00 0.00 C ATOM 592 CG LYS A 875 0.227 11.479 -12.636 1.00 0.00 C ATOM 593 CD LYS A 875 0.578 10.236 -13.438 1.00 0.00 C ATOM 594 CE LYS A 875 0.755 10.554 -14.913 1.00 0.00 C ATOM 595 NZ LYS A 875 -0.498 11.032 -15.531 1.00 0.00 N ATOM 0 H LYS A 875 1.813 12.700 -10.183 1.00 0.00 H new ATOM 0 HA LYS A 875 -1.079 12.917 -10.666 1.00 0.00 H new ATOM 0 HB2 LYS A 875 0.864 10.585 -10.806 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -0.860 10.471 -11.101 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -0.670 11.941 -13.049 1.00 0.00 H new ATOM 0 HG3 LYS A 875 1.031 12.210 -12.721 1.00 0.00 H new ATOM 0 HD2 LYS A 875 1.496 9.797 -13.047 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -0.208 9.491 -13.318 1.00 0.00 H new ATOM 0 HE2 LYS A 875 1.529 11.313 -15.030 1.00 0.00 H new ATOM 0 HE3 LYS A 875 1.100 9.663 -15.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -0.404 11.011 -16.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -1.285 10.416 -15.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -0.689 12.006 -15.220 1.00 0.00 H new ATOM 609 N PRO A 876 -1.839 11.729 -8.521 1.00 0.00 N ATOM 610 CA PRO A 876 -2.267 11.261 -7.202 1.00 0.00 C ATOM 611 C PRO A 876 -1.993 9.777 -7.016 1.00 0.00 C ATOM 612 O PRO A 876 -1.672 9.056 -7.975 1.00 0.00 O ATOM 613 CB PRO A 876 -3.779 11.511 -7.218 1.00 0.00 C ATOM 614 CG PRO A 876 -4.147 11.401 -8.648 1.00 0.00 C ATOM 615 CD PRO A 876 -2.995 11.998 -9.404 1.00 0.00 C ATOM 0 HA PRO A 876 -1.740 11.767 -6.393 1.00 0.00 H new ATOM 0 HB2 PRO A 876 -4.311 10.778 -6.612 1.00 0.00 H new ATOM 0 HB3 PRO A 876 -4.025 12.494 -6.817 1.00 0.00 H new ATOM 0 HG2 PRO A 876 -4.307 10.361 -8.933 1.00 0.00 H new ATOM 0 HG3 PRO A 876 -5.073 11.936 -8.857 1.00 0.00 H new ATOM 0 HD2 PRO A 876 -2.871 11.534 -10.383 1.00 0.00 H new ATOM 0 HD3 PRO A 876 -3.134 13.066 -9.573 1.00 0.00 H new ATOM 623 N ASP A 877 -2.094 9.324 -5.797 1.00 0.00 N ATOM 624 CA ASP A 877 -1.913 7.923 -5.509 1.00 0.00 C ATOM 625 C ASP A 877 -3.102 7.116 -5.952 1.00 0.00 C ATOM 626 O ASP A 877 -4.226 7.319 -5.478 1.00 0.00 O ATOM 627 CB ASP A 877 -1.597 7.644 -4.035 1.00 0.00 C ATOM 628 CG ASP A 877 -1.529 6.147 -3.753 1.00 0.00 C ATOM 629 OD1 ASP A 877 -0.865 5.417 -4.534 1.00 0.00 O ATOM 630 OD2 ASP A 877 -2.217 5.671 -2.805 1.00 0.00 O ATOM 0 H ASP A 877 -2.301 9.904 -4.984 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.040 7.612 -6.083 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -0.647 8.109 -3.771 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -2.361 8.100 -3.405 1.00 0.00 H new ATOM 635 N ASP A 878 -2.850 6.228 -6.878 1.00 0.00 N ATOM 636 CA ASP A 878 -3.864 5.293 -7.375 1.00 0.00 C ATOM 637 C ASP A 878 -4.144 4.274 -6.302 1.00 0.00 C ATOM 638 O ASP A 878 -5.253 3.772 -6.165 1.00 0.00 O ATOM 639 CB ASP A 878 -3.352 4.565 -8.635 1.00 0.00 C ATOM 640 CG ASP A 878 -4.321 3.503 -9.176 1.00 0.00 C ATOM 641 OD1 ASP A 878 -4.313 2.358 -8.685 1.00 0.00 O ATOM 642 OD2 ASP A 878 -5.073 3.795 -10.148 1.00 0.00 O ATOM 0 H ASP A 878 -1.937 6.121 -7.320 1.00 0.00 H new ATOM 0 HA ASP A 878 -4.769 5.845 -7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -3.162 5.301 -9.416 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -2.398 4.090 -8.406 1.00 0.00 H new ATOM 647 N GLY A 879 -3.138 4.026 -5.525 1.00 0.00 N ATOM 648 CA GLY A 879 -3.182 3.049 -4.508 1.00 0.00 C ATOM 649 C GLY A 879 -1.988 2.152 -4.634 1.00 0.00 C ATOM 650 O GLY A 879 -2.055 0.969 -4.343 1.00 0.00 O ATOM 0 H GLY A 879 -2.245 4.515 -5.590 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -3.191 3.527 -3.528 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -4.100 2.466 -4.587 1.00 0.00 H new ATOM 654 N SER A 880 -0.884 2.742 -4.975 1.00 0.00 N ATOM 655 CA SER A 880 0.300 2.028 -5.360 1.00 0.00 C ATOM 656 C SER A 880 1.343 2.150 -4.224 1.00 0.00 C ATOM 657 O SER A 880 1.143 2.928 -3.286 1.00 0.00 O ATOM 658 CB SER A 880 0.801 2.690 -6.675 1.00 0.00 C ATOM 659 OG SER A 880 1.806 1.947 -7.364 1.00 0.00 O ATOM 0 H SER A 880 -0.776 3.756 -4.995 1.00 0.00 H new ATOM 0 HA SER A 880 0.118 0.966 -5.526 1.00 0.00 H new ATOM 0 HB2 SER A 880 -0.049 2.833 -7.342 1.00 0.00 H new ATOM 0 HB3 SER A 880 1.194 3.680 -6.442 1.00 0.00 H new ATOM 0 HG SER A 880 2.067 2.426 -8.178 1.00 0.00 H new ATOM 665 N PRO A 881 2.404 1.315 -4.224 1.00 0.00 N ATOM 666 CA PRO A 881 3.506 1.466 -3.287 1.00 0.00 C ATOM 667 C PRO A 881 4.190 2.822 -3.471 1.00 0.00 C ATOM 668 O PRO A 881 4.565 3.196 -4.585 1.00 0.00 O ATOM 669 CB PRO A 881 4.467 0.330 -3.654 1.00 0.00 C ATOM 670 CG PRO A 881 3.645 -0.653 -4.399 1.00 0.00 C ATOM 671 CD PRO A 881 2.583 0.144 -5.092 1.00 0.00 C ATOM 0 HA PRO A 881 3.179 1.423 -2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 881 5.293 0.695 -4.265 1.00 0.00 H new ATOM 0 HB3 PRO A 881 4.904 -0.119 -2.762 1.00 0.00 H new ATOM 0 HG2 PRO A 881 4.251 -1.205 -5.118 1.00 0.00 H new ATOM 0 HG3 PRO A 881 3.205 -1.387 -3.723 1.00 0.00 H new ATOM 0 HD2 PRO A 881 2.891 0.434 -6.097 1.00 0.00 H new ATOM 0 HD3 PRO A 881 1.658 -0.424 -5.194 1.00 0.00 H new ATOM 679 N MET A 882 4.327 3.555 -2.405 1.00 0.00 N ATOM 680 CA MET A 882 4.915 4.873 -2.471 1.00 0.00 C ATOM 681 C MET A 882 6.092 4.929 -1.534 1.00 0.00 C ATOM 682 O MET A 882 6.169 4.134 -0.578 1.00 0.00 O ATOM 683 CB MET A 882 3.903 5.970 -2.088 1.00 0.00 C ATOM 684 CG MET A 882 2.598 5.939 -2.866 1.00 0.00 C ATOM 685 SD MET A 882 1.542 7.366 -2.524 1.00 0.00 S ATOM 686 CE MET A 882 2.383 8.647 -3.448 1.00 0.00 C ATOM 0 H MET A 882 4.039 3.265 -1.470 1.00 0.00 H new ATOM 0 HA MET A 882 5.231 5.056 -3.498 1.00 0.00 H new ATOM 0 HB2 MET A 882 3.677 5.880 -1.025 1.00 0.00 H new ATOM 0 HB3 MET A 882 4.372 6.943 -2.233 1.00 0.00 H new ATOM 0 HG2 MET A 882 2.818 5.903 -3.933 1.00 0.00 H new ATOM 0 HG3 MET A 882 2.056 5.025 -2.621 1.00 0.00 H new ATOM 0 HE1 MET A 882 2.457 9.547 -2.838 1.00 0.00 H new ATOM 0 HE2 MET A 882 3.384 8.306 -3.714 1.00 0.00 H new ATOM 0 HE3 MET A 882 1.822 8.869 -4.356 1.00 0.00 H new ATOM 696 N ILE A 883 7.001 5.836 -1.782 1.00 0.00 N ATOM 697 CA ILE A 883 8.154 5.983 -0.938 1.00 0.00 C ATOM 698 C ILE A 883 8.196 7.387 -0.355 1.00 0.00 C ATOM 699 O ILE A 883 7.933 8.385 -1.051 1.00 0.00 O ATOM 700 CB ILE A 883 9.495 5.617 -1.664 1.00 0.00 C ATOM 701 CG1 ILE A 883 10.669 5.611 -0.672 1.00 0.00 C ATOM 702 CG2 ILE A 883 9.785 6.585 -2.814 1.00 0.00 C ATOM 703 CD1 ILE A 883 11.937 5.010 -1.229 1.00 0.00 C ATOM 0 H ILE A 883 6.963 6.486 -2.567 1.00 0.00 H new ATOM 0 HA ILE A 883 8.056 5.266 -0.123 1.00 0.00 H new ATOM 0 HB ILE A 883 9.381 4.616 -2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 883 10.871 6.635 -0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 883 10.376 5.056 0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 883 10.721 6.305 -3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 883 8.974 6.540 -3.540 1.00 0.00 H new ATOM 0 HG23 ILE A 883 9.867 7.599 -2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 883 12.719 5.042 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 883 11.753 3.975 -1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 883 12.256 5.579 -2.103 1.00 0.00 H new ATOM 715 N GLY A 884 8.405 7.440 0.926 1.00 0.00 N ATOM 716 CA GLY A 884 8.516 8.672 1.617 1.00 0.00 C ATOM 717 C GLY A 884 9.953 9.018 1.816 1.00 0.00 C ATOM 718 O GLY A 884 10.752 8.155 2.255 1.00 0.00 O ATOM 0 H GLY A 884 8.503 6.616 1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 884 8.018 9.461 1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 884 8.013 8.604 2.582 1.00 0.00 H new ATOM 722 N CYS A 885 10.296 10.235 1.468 1.00 0.00 N ATOM 723 CA CYS A 885 11.631 10.743 1.616 1.00 0.00 C ATOM 724 C CYS A 885 11.943 10.927 3.086 1.00 0.00 C ATOM 725 O CYS A 885 11.034 11.165 3.901 1.00 0.00 O ATOM 726 CB CYS A 885 11.768 12.065 0.834 1.00 0.00 C ATOM 727 SG CYS A 885 13.387 12.906 0.954 1.00 0.00 S ATOM 0 H CYS A 885 9.642 10.908 1.068 1.00 0.00 H new ATOM 0 HA CYS A 885 12.351 10.034 1.207 1.00 0.00 H new ATOM 0 HB2 CYS A 885 11.563 11.865 -0.218 1.00 0.00 H new ATOM 0 HB3 CYS A 885 10.998 12.752 1.184 1.00 0.00 H new ATOM 732 N ASP A 886 13.198 10.810 3.433 1.00 0.00 N ATOM 733 CA ASP A 886 13.601 10.936 4.806 1.00 0.00 C ATOM 734 C ASP A 886 13.840 12.363 5.197 1.00 0.00 C ATOM 735 O ASP A 886 13.707 12.716 6.375 1.00 0.00 O ATOM 736 CB ASP A 886 14.831 10.093 5.121 1.00 0.00 C ATOM 737 CG ASP A 886 14.512 8.639 5.353 1.00 0.00 C ATOM 738 OD1 ASP A 886 14.196 8.267 6.505 1.00 0.00 O ATOM 739 OD2 ASP A 886 14.599 7.831 4.408 1.00 0.00 O ATOM 0 H ASP A 886 13.960 10.627 2.780 1.00 0.00 H new ATOM 0 HA ASP A 886 12.768 10.558 5.399 1.00 0.00 H new ATOM 0 HB2 ASP A 886 15.540 10.176 4.298 1.00 0.00 H new ATOM 0 HB3 ASP A 886 15.322 10.496 6.007 1.00 0.00 H new ATOM 744 N ASP A 887 14.162 13.207 4.236 1.00 0.00 N ATOM 745 CA ASP A 887 14.475 14.587 4.575 1.00 0.00 C ATOM 746 C ASP A 887 13.227 15.434 4.619 1.00 0.00 C ATOM 747 O ASP A 887 12.741 15.764 5.698 1.00 0.00 O ATOM 748 CB ASP A 887 15.513 15.211 3.635 1.00 0.00 C ATOM 749 CG ASP A 887 15.943 16.603 4.083 1.00 0.00 C ATOM 750 OD1 ASP A 887 15.242 17.601 3.803 1.00 0.00 O ATOM 751 OD2 ASP A 887 17.006 16.736 4.715 1.00 0.00 O ATOM 0 H ASP A 887 14.214 12.975 3.244 1.00 0.00 H new ATOM 0 HA ASP A 887 14.920 14.563 5.570 1.00 0.00 H new ATOM 0 HB2 ASP A 887 16.388 14.563 3.583 1.00 0.00 H new ATOM 0 HB3 ASP A 887 15.099 15.268 2.628 1.00 0.00 H new ATOM 756 N CYS A 888 12.682 15.759 3.454 1.00 0.00 N ATOM 757 CA CYS A 888 11.518 16.624 3.384 1.00 0.00 C ATOM 758 C CYS A 888 10.283 15.945 3.934 1.00 0.00 C ATOM 759 O CYS A 888 9.457 16.581 4.609 1.00 0.00 O ATOM 760 CB CYS A 888 11.284 17.106 1.948 1.00 0.00 C ATOM 761 SG CYS A 888 10.993 15.796 0.719 1.00 0.00 S ATOM 0 H CYS A 888 13.027 15.437 2.550 1.00 0.00 H new ATOM 0 HA CYS A 888 11.717 17.494 4.010 1.00 0.00 H new ATOM 0 HB2 CYS A 888 10.427 17.780 1.945 1.00 0.00 H new ATOM 0 HB3 CYS A 888 12.150 17.689 1.634 1.00 0.00 H new ATOM 766 N ASP A 889 10.197 14.651 3.670 1.00 0.00 N ATOM 767 CA ASP A 889 9.080 13.816 4.068 1.00 0.00 C ATOM 768 C ASP A 889 7.864 14.095 3.178 1.00 0.00 C ATOM 769 O ASP A 889 6.884 14.707 3.587 1.00 0.00 O ATOM 770 CB ASP A 889 8.780 13.919 5.601 1.00 0.00 C ATOM 771 CG ASP A 889 7.596 13.112 6.093 1.00 0.00 C ATOM 772 OD1 ASP A 889 7.711 11.891 6.241 1.00 0.00 O ATOM 773 OD2 ASP A 889 6.546 13.715 6.425 1.00 0.00 O ATOM 0 H ASP A 889 10.920 14.142 3.161 1.00 0.00 H new ATOM 0 HA ASP A 889 9.352 12.772 3.911 1.00 0.00 H new ATOM 0 HB2 ASP A 889 9.667 13.600 6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 889 8.611 14.967 5.850 1.00 0.00 H new ATOM 778 N ASP A 890 8.031 13.775 1.906 1.00 0.00 N ATOM 779 CA ASP A 890 6.958 13.824 0.903 1.00 0.00 C ATOM 780 C ASP A 890 6.783 12.429 0.363 1.00 0.00 C ATOM 781 O ASP A 890 7.645 11.570 0.591 1.00 0.00 O ATOM 782 CB ASP A 890 7.242 14.786 -0.291 1.00 0.00 C ATOM 783 CG ASP A 890 7.120 16.278 0.006 1.00 0.00 C ATOM 784 OD1 ASP A 890 6.333 16.680 0.882 1.00 0.00 O ATOM 785 OD2 ASP A 890 7.771 17.091 -0.692 1.00 0.00 O ATOM 0 H ASP A 890 8.926 13.468 1.526 1.00 0.00 H new ATOM 0 HA ASP A 890 6.066 14.208 1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 890 8.250 14.590 -0.657 1.00 0.00 H new ATOM 0 HB3 ASP A 890 6.555 14.540 -1.101 1.00 0.00 H new ATOM 790 N TRP A 891 5.716 12.201 -0.371 1.00 0.00 N ATOM 791 CA TRP A 891 5.414 10.877 -0.891 1.00 0.00 C ATOM 792 C TRP A 891 5.446 10.827 -2.395 1.00 0.00 C ATOM 793 O TRP A 891 4.640 11.462 -3.058 1.00 0.00 O ATOM 794 CB TRP A 891 4.061 10.374 -0.375 1.00 0.00 C ATOM 795 CG TRP A 891 4.092 10.011 1.064 1.00 0.00 C ATOM 796 CD1 TRP A 891 3.724 10.778 2.124 1.00 0.00 C ATOM 797 CD2 TRP A 891 4.546 8.777 1.599 1.00 0.00 C ATOM 798 NE1 TRP A 891 3.927 10.083 3.290 1.00 0.00 N ATOM 799 CE2 TRP A 891 4.434 8.855 2.988 1.00 0.00 C ATOM 800 CE3 TRP A 891 5.040 7.612 1.028 1.00 0.00 C ATOM 801 CZ2 TRP A 891 4.796 7.810 3.818 1.00 0.00 C ATOM 802 CZ3 TRP A 891 5.408 6.574 1.850 1.00 0.00 C ATOM 803 CH2 TRP A 891 5.285 6.679 3.235 1.00 0.00 C ATOM 0 H TRP A 891 5.036 12.918 -0.625 1.00 0.00 H new ATOM 0 HA TRP A 891 6.200 10.217 -0.524 1.00 0.00 H new ATOM 0 HB2 TRP A 891 3.307 11.145 -0.534 1.00 0.00 H new ATOM 0 HB3 TRP A 891 3.756 9.505 -0.958 1.00 0.00 H new ATOM 0 HD1 TRP A 891 3.331 11.782 2.059 1.00 0.00 H new ATOM 0 HE1 TRP A 891 3.730 10.429 4.229 1.00 0.00 H new ATOM 0 HE3 TRP A 891 5.134 7.523 -0.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 4.695 7.887 4.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 5.798 5.664 1.417 1.00 0.00 H new ATOM 0 HH2 TRP A 891 5.583 5.848 3.858 1.00 0.00 H new ATOM 814 N TYR A 892 6.374 10.069 -2.916 1.00 0.00 N ATOM 815 CA TYR A 892 6.506 9.860 -4.340 1.00 0.00 C ATOM 816 C TYR A 892 6.115 8.448 -4.666 1.00 0.00 C ATOM 817 O TYR A 892 6.075 7.585 -3.773 1.00 0.00 O ATOM 818 CB TYR A 892 7.956 10.016 -4.771 1.00 0.00 C ATOM 819 CG TYR A 892 8.545 11.397 -4.696 1.00 0.00 C ATOM 820 CD1 TYR A 892 8.935 11.954 -3.493 1.00 0.00 C ATOM 821 CD2 TYR A 892 8.768 12.116 -5.855 1.00 0.00 C ATOM 822 CE1 TYR A 892 9.527 13.188 -3.452 1.00 0.00 C ATOM 823 CE2 TYR A 892 9.350 13.353 -5.822 1.00 0.00 C ATOM 824 CZ TYR A 892 9.731 13.882 -4.623 1.00 0.00 C ATOM 825 OH TYR A 892 10.338 15.092 -4.590 1.00 0.00 O ATOM 0 H TYR A 892 7.070 9.572 -2.360 1.00 0.00 H new ATOM 0 HA TYR A 892 5.874 10.588 -4.849 1.00 0.00 H new ATOM 0 HB2 TYR A 892 8.565 9.354 -4.156 1.00 0.00 H new ATOM 0 HB3 TYR A 892 8.043 9.666 -5.799 1.00 0.00 H new ATOM 0 HD1 TYR A 892 8.771 11.410 -2.575 1.00 0.00 H new ATOM 0 HD2 TYR A 892 8.477 11.693 -6.805 1.00 0.00 H new ATOM 0 HE1 TYR A 892 9.832 13.614 -2.507 1.00 0.00 H new ATOM 0 HE2 TYR A 892 9.507 13.906 -6.736 1.00 0.00 H new ATOM 0 HH TYR A 892 11.083 15.067 -3.953 1.00 0.00 H new ATOM 835 N HIS A 893 5.835 8.194 -5.910 1.00 0.00 N ATOM 836 CA HIS A 893 5.600 6.834 -6.356 1.00 0.00 C ATOM 837 C HIS A 893 6.932 6.190 -6.658 1.00 0.00 C ATOM 838 O HIS A 893 7.957 6.874 -6.754 1.00 0.00 O ATOM 839 CB HIS A 893 4.708 6.762 -7.605 1.00 0.00 C ATOM 840 CG HIS A 893 3.321 7.258 -7.412 1.00 0.00 C ATOM 841 ND1 HIS A 893 2.872 8.382 -8.060 1.00 0.00 N ATOM 842 CD2 HIS A 893 2.331 6.752 -6.651 1.00 0.00 C ATOM 843 CE1 HIS A 893 1.608 8.540 -7.670 1.00 0.00 C ATOM 844 NE2 HIS A 893 1.247 7.573 -6.816 1.00 0.00 N ATOM 0 H HIS A 893 5.762 8.903 -6.640 1.00 0.00 H new ATOM 0 HA HIS A 893 5.075 6.309 -5.558 1.00 0.00 H new ATOM 0 HB2 HIS A 893 5.177 7.339 -8.402 1.00 0.00 H new ATOM 0 HB3 HIS A 893 4.664 5.727 -7.943 1.00 0.00 H new ATOM 0 HD2 HIS A 893 2.382 5.869 -6.031 1.00 0.00 H new ATOM 0 HE1 HIS A 893 0.961 9.340 -7.998 1.00 0.00 H new ATOM 0 HE2 HIS A 893 0.335 7.468 -6.372 1.00 0.00 H new ATOM 852 N TRP A 894 6.922 4.907 -6.832 1.00 0.00 N ATOM 853 CA TRP A 894 8.132 4.163 -7.097 1.00 0.00 C ATOM 854 C TRP A 894 8.735 4.440 -8.495 1.00 0.00 C ATOM 855 O TRP A 894 9.877 4.922 -8.581 1.00 0.00 O ATOM 856 CB TRP A 894 7.944 2.664 -6.835 1.00 0.00 C ATOM 857 CG TRP A 894 7.950 2.277 -5.389 1.00 0.00 C ATOM 858 CD1 TRP A 894 7.960 3.105 -4.301 1.00 0.00 C ATOM 859 CD2 TRP A 894 7.977 0.947 -4.876 1.00 0.00 C ATOM 860 NE1 TRP A 894 7.993 2.362 -3.147 1.00 0.00 N ATOM 861 CE2 TRP A 894 7.997 1.037 -3.475 1.00 0.00 C ATOM 862 CE3 TRP A 894 7.981 -0.313 -5.472 1.00 0.00 C ATOM 863 CZ2 TRP A 894 8.020 -0.085 -2.660 1.00 0.00 C ATOM 864 CZ3 TRP A 894 8.008 -1.428 -4.663 1.00 0.00 C ATOM 865 CH2 TRP A 894 8.025 -1.308 -3.270 1.00 0.00 C ATOM 0 H TRP A 894 6.078 4.336 -6.796 1.00 0.00 H new ATOM 0 HA TRP A 894 8.871 4.531 -6.385 1.00 0.00 H new ATOM 0 HB2 TRP A 894 7.000 2.347 -7.278 1.00 0.00 H new ATOM 0 HB3 TRP A 894 8.736 2.117 -7.347 1.00 0.00 H new ATOM 0 HD1 TRP A 894 7.944 4.184 -4.343 1.00 0.00 H new ATOM 0 HE1 TRP A 894 8.012 2.739 -2.199 1.00 0.00 H new ATOM 0 HE3 TRP A 894 7.963 -0.413 -6.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 8.033 0.004 -1.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 8.016 -2.410 -5.112 1.00 0.00 H new ATOM 0 HH2 TRP A 894 8.042 -2.201 -2.663 1.00 0.00 H new ATOM 876 N PRO A 895 7.984 4.210 -9.619 1.00 0.00 N ATOM 877 CA PRO A 895 8.527 4.382 -10.988 1.00 0.00 C ATOM 878 C PRO A 895 8.963 5.823 -11.276 1.00 0.00 C ATOM 879 O PRO A 895 9.836 6.075 -12.114 1.00 0.00 O ATOM 880 CB PRO A 895 7.337 3.996 -11.890 1.00 0.00 C ATOM 881 CG PRO A 895 6.140 4.209 -11.031 1.00 0.00 C ATOM 882 CD PRO A 895 6.564 3.788 -9.667 1.00 0.00 C ATOM 0 HA PRO A 895 9.422 3.780 -11.146 1.00 0.00 H new ATOM 0 HB2 PRO A 895 7.299 4.616 -12.786 1.00 0.00 H new ATOM 0 HB3 PRO A 895 7.409 2.960 -12.222 1.00 0.00 H new ATOM 0 HG2 PRO A 895 5.827 5.253 -11.042 1.00 0.00 H new ATOM 0 HG3 PRO A 895 5.293 3.619 -11.381 1.00 0.00 H new ATOM 0 HD2 PRO A 895 5.971 4.273 -8.892 1.00 0.00 H new ATOM 0 HD3 PRO A 895 6.457 2.713 -9.524 1.00 0.00 H new ATOM 890 N CYS A 896 8.400 6.732 -10.525 1.00 0.00 N ATOM 891 CA CYS A 896 8.604 8.135 -10.696 1.00 0.00 C ATOM 892 C CYS A 896 9.988 8.562 -10.214 1.00 0.00 C ATOM 893 O CYS A 896 10.620 9.439 -10.809 1.00 0.00 O ATOM 894 CB CYS A 896 7.510 8.832 -9.923 1.00 0.00 C ATOM 895 SG CYS A 896 5.875 8.154 -10.302 1.00 0.00 S ATOM 0 H CYS A 896 7.769 6.504 -9.757 1.00 0.00 H new ATOM 0 HA CYS A 896 8.560 8.404 -11.751 1.00 0.00 H new ATOM 0 HB2 CYS A 896 7.703 8.736 -8.855 1.00 0.00 H new ATOM 0 HB3 CYS A 896 7.524 9.897 -10.155 1.00 0.00 H new ATOM 900 N VAL A 897 10.455 7.937 -9.160 1.00 0.00 N ATOM 901 CA VAL A 897 11.763 8.251 -8.623 1.00 0.00 C ATOM 902 C VAL A 897 12.811 7.235 -9.050 1.00 0.00 C ATOM 903 O VAL A 897 14.008 7.514 -9.011 1.00 0.00 O ATOM 904 CB VAL A 897 11.751 8.394 -7.089 1.00 0.00 C ATOM 905 CG1 VAL A 897 10.927 9.592 -6.692 1.00 0.00 C ATOM 906 CG2 VAL A 897 11.204 7.144 -6.426 1.00 0.00 C ATOM 0 H VAL A 897 9.951 7.208 -8.655 1.00 0.00 H new ATOM 0 HA VAL A 897 12.034 9.219 -9.044 1.00 0.00 H new ATOM 0 HB VAL A 897 12.778 8.533 -6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 897 10.923 9.687 -5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 897 11.356 10.491 -7.133 1.00 0.00 H new ATOM 0 HG13 VAL A 897 9.905 9.465 -7.049 1.00 0.00 H new ATOM 0 HG21 VAL A 897 11.208 7.275 -5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 897 10.184 6.968 -6.767 1.00 0.00 H new ATOM 0 HG23 VAL A 897 11.827 6.290 -6.690 1.00 0.00 H new ATOM 916 N GLY A 898 12.364 6.069 -9.456 1.00 0.00 N ATOM 917 CA GLY A 898 13.283 5.050 -9.898 1.00 0.00 C ATOM 918 C GLY A 898 13.322 3.868 -8.963 1.00 0.00 C ATOM 919 O GLY A 898 14.100 2.929 -9.159 1.00 0.00 O ATOM 0 H GLY A 898 11.379 5.806 -9.489 1.00 0.00 H new ATOM 0 HA2 GLY A 898 12.996 4.713 -10.894 1.00 0.00 H new ATOM 0 HA3 GLY A 898 14.282 5.477 -9.982 1.00 0.00 H new ATOM 923 N ILE A 899 12.463 3.890 -7.970 1.00 0.00 N ATOM 924 CA ILE A 899 12.391 2.808 -7.015 1.00 0.00 C ATOM 925 C ILE A 899 11.598 1.680 -7.651 1.00 0.00 C ATOM 926 O ILE A 899 10.543 1.903 -8.215 1.00 0.00 O ATOM 927 CB ILE A 899 11.721 3.260 -5.674 1.00 0.00 C ATOM 928 CG1 ILE A 899 12.581 4.307 -4.946 1.00 0.00 C ATOM 929 CG2 ILE A 899 11.454 2.067 -4.751 1.00 0.00 C ATOM 930 CD1 ILE A 899 13.875 3.784 -4.381 1.00 0.00 C ATOM 0 H ILE A 899 11.802 4.648 -7.802 1.00 0.00 H new ATOM 0 HA ILE A 899 13.399 2.478 -6.765 1.00 0.00 H new ATOM 0 HB ILE A 899 10.765 3.715 -5.932 1.00 0.00 H new ATOM 0 HG12 ILE A 899 12.806 5.117 -5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 899 11.994 4.736 -4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 899 10.989 2.417 -3.830 1.00 0.00 H new ATOM 0 HG22 ILE A 899 10.788 1.363 -5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 899 12.396 1.571 -4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 899 14.411 4.595 -3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 899 13.664 2.996 -3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 899 14.488 3.382 -5.188 1.00 0.00 H new ATOM 942 N MET A 900 12.141 0.507 -7.649 1.00 0.00 N ATOM 943 CA MET A 900 11.455 -0.626 -8.225 1.00 0.00 C ATOM 944 C MET A 900 11.262 -1.708 -7.184 1.00 0.00 C ATOM 945 O MET A 900 10.439 -2.605 -7.341 1.00 0.00 O ATOM 946 CB MET A 900 12.206 -1.139 -9.454 1.00 0.00 C ATOM 947 CG MET A 900 12.323 -0.086 -10.554 1.00 0.00 C ATOM 948 SD MET A 900 13.225 -0.640 -12.013 1.00 0.00 S ATOM 949 CE MET A 900 12.155 -1.955 -12.582 1.00 0.00 C ATOM 0 H MET A 900 13.059 0.298 -7.257 1.00 0.00 H new ATOM 0 HA MET A 900 10.466 -0.312 -8.558 1.00 0.00 H new ATOM 0 HB2 MET A 900 13.204 -1.461 -9.157 1.00 0.00 H new ATOM 0 HB3 MET A 900 11.693 -2.016 -9.849 1.00 0.00 H new ATOM 0 HG2 MET A 900 11.322 0.222 -10.855 1.00 0.00 H new ATOM 0 HG3 MET A 900 12.819 0.795 -10.147 1.00 0.00 H new ATOM 0 HE1 MET A 900 12.396 -2.198 -13.617 1.00 0.00 H new ATOM 0 HE2 MET A 900 12.300 -2.838 -11.959 1.00 0.00 H new ATOM 0 HE3 MET A 900 11.116 -1.632 -12.517 1.00 0.00 H new ATOM 959 N ALA A 901 12.030 -1.618 -6.132 1.00 0.00 N ATOM 960 CA ALA A 901 11.933 -2.504 -5.011 1.00 0.00 C ATOM 961 C ALA A 901 12.100 -1.682 -3.761 1.00 0.00 C ATOM 962 O ALA A 901 12.867 -0.707 -3.765 1.00 0.00 O ATOM 963 CB ALA A 901 12.995 -3.578 -5.080 1.00 0.00 C ATOM 0 H ALA A 901 12.756 -0.909 -6.031 1.00 0.00 H new ATOM 0 HA ALA A 901 10.964 -3.004 -5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 901 12.901 -4.239 -4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 901 12.869 -4.156 -5.996 1.00 0.00 H new ATOM 0 HB3 ALA A 901 13.982 -3.115 -5.076 1.00 0.00 H new ATOM 969 N ALA A 902 11.402 -2.043 -2.717 1.00 0.00 N ATOM 970 CA ALA A 902 11.458 -1.303 -1.482 1.00 0.00 C ATOM 971 C ALA A 902 12.822 -1.453 -0.827 1.00 0.00 C ATOM 972 O ALA A 902 13.305 -2.587 -0.644 1.00 0.00 O ATOM 973 CB ALA A 902 10.364 -1.762 -0.527 1.00 0.00 C ATOM 0 H ALA A 902 10.782 -2.853 -2.697 1.00 0.00 H new ATOM 0 HA ALA A 902 11.297 -0.250 -1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 902 10.425 -1.190 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 902 9.389 -1.603 -0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 902 10.494 -2.822 -0.308 1.00 0.00 H new ATOM 979 N PRO A 903 13.489 -0.333 -0.500 1.00 0.00 N ATOM 980 CA PRO A 903 14.749 -0.373 0.220 1.00 0.00 C ATOM 981 C PRO A 903 14.474 -0.732 1.681 1.00 0.00 C ATOM 982 O PRO A 903 13.303 -0.747 2.102 1.00 0.00 O ATOM 983 CB PRO A 903 15.288 1.073 0.116 1.00 0.00 C ATOM 984 CG PRO A 903 14.372 1.797 -0.796 1.00 0.00 C ATOM 985 CD PRO A 903 13.072 1.053 -0.779 1.00 0.00 C ATOM 0 HA PRO A 903 15.453 -1.106 -0.175 1.00 0.00 H new ATOM 0 HB2 PRO A 903 15.316 1.548 1.096 1.00 0.00 H new ATOM 0 HB3 PRO A 903 16.307 1.081 -0.271 1.00 0.00 H new ATOM 0 HG2 PRO A 903 14.233 2.827 -0.468 1.00 0.00 H new ATOM 0 HG3 PRO A 903 14.782 1.837 -1.805 1.00 0.00 H new ATOM 0 HD2 PRO A 903 12.398 1.434 -0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 903 12.548 1.133 -1.732 1.00 0.00 H new ATOM 993 N PRO A 904 15.507 -1.031 2.473 1.00 0.00 N ATOM 994 CA PRO A 904 15.324 -1.357 3.875 1.00 0.00 C ATOM 995 C PRO A 904 14.680 -0.188 4.616 1.00 0.00 C ATOM 996 O PRO A 904 14.924 0.981 4.286 1.00 0.00 O ATOM 997 CB PRO A 904 16.739 -1.587 4.416 1.00 0.00 C ATOM 998 CG PRO A 904 17.643 -1.637 3.240 1.00 0.00 C ATOM 999 CD PRO A 904 16.912 -1.055 2.064 1.00 0.00 C ATOM 0 HA PRO A 904 14.676 -2.224 4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 904 17.029 -0.784 5.093 1.00 0.00 H new ATOM 0 HB3 PRO A 904 16.790 -2.516 4.983 1.00 0.00 H new ATOM 0 HG2 PRO A 904 18.555 -1.074 3.437 1.00 0.00 H new ATOM 0 HG3 PRO A 904 17.941 -2.665 3.032 1.00 0.00 H new ATOM 0 HD2 PRO A 904 17.273 -0.054 1.830 1.00 0.00 H new ATOM 0 HD3 PRO A 904 17.054 -1.662 1.170 1.00 0.00 H new ATOM 1007 N GLU A 905 13.890 -0.489 5.615 1.00 0.00 N ATOM 1008 CA GLU A 905 13.216 0.542 6.372 1.00 0.00 C ATOM 1009 C GLU A 905 14.191 1.219 7.333 1.00 0.00 C ATOM 1010 O GLU A 905 13.900 2.267 7.900 1.00 0.00 O ATOM 1011 CB GLU A 905 11.976 -0.012 7.099 1.00 0.00 C ATOM 1012 CG GLU A 905 12.245 -1.170 8.049 1.00 0.00 C ATOM 1013 CD GLU A 905 10.986 -1.650 8.730 1.00 0.00 C ATOM 1014 OE1 GLU A 905 10.541 -1.004 9.702 1.00 0.00 O ATOM 1015 OE2 GLU A 905 10.410 -2.674 8.303 1.00 0.00 O ATOM 0 H GLU A 905 13.696 -1.441 5.926 1.00 0.00 H new ATOM 0 HA GLU A 905 12.855 1.300 5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 905 11.512 0.798 7.662 1.00 0.00 H new ATOM 0 HB3 GLU A 905 11.252 -0.337 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 905 12.695 -1.995 7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 905 12.969 -0.859 8.803 1.00 0.00 H new ATOM 1022 N GLU A 906 15.362 0.621 7.486 1.00 0.00 N ATOM 1023 CA GLU A 906 16.409 1.191 8.319 1.00 0.00 C ATOM 1024 C GLU A 906 17.331 2.046 7.472 1.00 0.00 C ATOM 1025 O GLU A 906 18.252 2.695 7.979 1.00 0.00 O ATOM 1026 CB GLU A 906 17.198 0.089 9.000 1.00 0.00 C ATOM 1027 CG GLU A 906 16.350 -0.779 9.891 1.00 0.00 C ATOM 1028 CD GLU A 906 15.744 -0.022 11.045 1.00 0.00 C ATOM 1029 OE1 GLU A 906 16.430 0.190 12.049 1.00 0.00 O ATOM 1030 OE2 GLU A 906 14.551 0.353 10.984 1.00 0.00 O ATOM 0 H GLU A 906 15.612 -0.263 7.042 1.00 0.00 H new ATOM 0 HA GLU A 906 15.950 1.814 9.086 1.00 0.00 H new ATOM 0 HB2 GLU A 906 17.672 -0.533 8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 906 17.998 0.535 9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 906 15.552 -1.228 9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 906 16.958 -1.596 10.279 1.00 0.00 H new ATOM 1037 N MET A 907 17.076 2.030 6.194 1.00 0.00 N ATOM 1038 CA MET A 907 17.832 2.797 5.229 1.00 0.00 C ATOM 1039 C MET A 907 17.128 4.095 4.975 1.00 0.00 C ATOM 1040 O MET A 907 15.897 4.134 4.863 1.00 0.00 O ATOM 1041 CB MET A 907 17.946 2.043 3.903 1.00 0.00 C ATOM 1042 CG MET A 907 18.635 2.818 2.780 1.00 0.00 C ATOM 1043 SD MET A 907 18.585 1.957 1.200 1.00 0.00 S ATOM 1044 CE MET A 907 19.370 3.163 0.134 1.00 0.00 C ATOM 0 H MET A 907 16.326 1.476 5.781 1.00 0.00 H new ATOM 0 HA MET A 907 18.831 2.968 5.631 1.00 0.00 H new ATOM 0 HB2 MET A 907 18.494 1.116 4.074 1.00 0.00 H new ATOM 0 HB3 MET A 907 16.945 1.765 3.572 1.00 0.00 H new ATOM 0 HG2 MET A 907 18.158 3.792 2.672 1.00 0.00 H new ATOM 0 HG3 MET A 907 19.674 3.000 3.056 1.00 0.00 H new ATOM 0 HE1 MET A 907 19.414 2.775 -0.884 1.00 0.00 H new ATOM 0 HE2 MET A 907 18.794 4.088 0.145 1.00 0.00 H new ATOM 0 HE3 MET A 907 20.381 3.361 0.491 1.00 0.00 H new ATOM 1054 N GLN A 908 17.885 5.140 4.871 1.00 0.00 N ATOM 1055 CA GLN A 908 17.334 6.420 4.560 1.00 0.00 C ATOM 1056 C GLN A 908 17.425 6.645 3.069 1.00 0.00 C ATOM 1057 O GLN A 908 18.323 6.117 2.401 1.00 0.00 O ATOM 1058 CB GLN A 908 18.018 7.550 5.322 1.00 0.00 C ATOM 1059 CG GLN A 908 17.914 7.417 6.836 1.00 0.00 C ATOM 1060 CD GLN A 908 18.471 8.617 7.582 1.00 0.00 C ATOM 1061 OE1 GLN A 908 18.333 9.793 7.018 1.00 0.00 O flip ATOM 1062 NE2 GLN A 908 18.996 8.484 8.690 1.00 0.00 N flip ATOM 0 H GLN A 908 18.897 5.131 4.998 1.00 0.00 H new ATOM 0 HA GLN A 908 16.290 6.428 4.874 1.00 0.00 H new ATOM 0 HB2 GLN A 908 19.070 7.582 5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 908 17.578 8.500 5.018 1.00 0.00 H new ATOM 0 HG2 GLN A 908 16.868 7.280 7.111 1.00 0.00 H new ATOM 0 HG3 GLN A 908 18.447 6.521 7.153 1.00 0.00 H new ATOM 0 HE21 GLN A 908 19.089 7.556 9.102 1.00 0.00 H new ATOM 0 HE22 GLN A 908 19.337 9.302 9.194 1.00 0.00 H new ATOM 1071 N TRP A 909 16.524 7.401 2.563 1.00 0.00 N ATOM 1072 CA TRP A 909 16.427 7.672 1.156 1.00 0.00 C ATOM 1073 C TRP A 909 16.004 9.103 0.993 1.00 0.00 C ATOM 1074 O TRP A 909 15.236 9.620 1.809 1.00 0.00 O ATOM 1075 CB TRP A 909 15.405 6.715 0.511 1.00 0.00 C ATOM 1076 CG TRP A 909 15.170 6.919 -0.959 1.00 0.00 C ATOM 1077 CD1 TRP A 909 15.847 6.346 -1.989 1.00 0.00 C ATOM 1078 CD2 TRP A 909 14.170 7.751 -1.550 1.00 0.00 C ATOM 1079 NE1 TRP A 909 15.326 6.779 -3.188 1.00 0.00 N ATOM 1080 CE2 TRP A 909 14.298 7.644 -2.940 1.00 0.00 C ATOM 1081 CE3 TRP A 909 13.183 8.576 -1.026 1.00 0.00 C ATOM 1082 CZ2 TRP A 909 13.467 8.338 -3.818 1.00 0.00 C ATOM 1083 CZ3 TRP A 909 12.364 9.262 -1.885 1.00 0.00 C ATOM 1084 CH2 TRP A 909 12.507 9.141 -3.266 1.00 0.00 C ATOM 0 H TRP A 909 15.808 7.867 3.121 1.00 0.00 H new ATOM 0 HA TRP A 909 17.386 7.515 0.661 1.00 0.00 H new ATOM 0 HB2 TRP A 909 15.742 5.691 0.669 1.00 0.00 H new ATOM 0 HB3 TRP A 909 14.454 6.822 1.032 1.00 0.00 H new ATOM 0 HD1 TRP A 909 16.670 5.655 -1.883 1.00 0.00 H new ATOM 0 HE1 TRP A 909 15.655 6.499 -4.112 1.00 0.00 H new ATOM 0 HE3 TRP A 909 13.063 8.676 0.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 13.576 8.246 -4.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 11.595 9.907 -1.485 1.00 0.00 H new ATOM 0 HH2 TRP A 909 11.845 9.694 -3.915 1.00 0.00 H new ATOM 1095 N PHE A 910 16.496 9.742 -0.024 1.00 0.00 N ATOM 1096 CA PHE A 910 16.222 11.128 -0.242 1.00 0.00 C ATOM 1097 C PHE A 910 15.825 11.314 -1.680 1.00 0.00 C ATOM 1098 O PHE A 910 16.452 10.735 -2.596 1.00 0.00 O ATOM 1099 CB PHE A 910 17.454 11.976 0.104 1.00 0.00 C ATOM 1100 CG PHE A 910 17.970 11.715 1.489 1.00 0.00 C ATOM 1101 CD1 PHE A 910 17.296 12.194 2.591 1.00 0.00 C ATOM 1102 CD2 PHE A 910 19.104 10.942 1.686 1.00 0.00 C ATOM 1103 CE1 PHE A 910 17.742 11.918 3.863 1.00 0.00 C ATOM 1104 CE2 PHE A 910 19.551 10.655 2.955 1.00 0.00 C ATOM 1105 CZ PHE A 910 18.869 11.144 4.043 1.00 0.00 C ATOM 0 H PHE A 910 17.100 9.316 -0.727 1.00 0.00 H new ATOM 0 HA PHE A 910 15.407 11.455 0.404 1.00 0.00 H new ATOM 0 HB2 PHE A 910 18.245 11.771 -0.618 1.00 0.00 H new ATOM 0 HB3 PHE A 910 17.201 13.032 0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 910 16.408 12.793 2.455 1.00 0.00 H new ATOM 0 HD2 PHE A 910 19.644 10.560 0.832 1.00 0.00 H new ATOM 0 HE1 PHE A 910 17.210 12.307 4.719 1.00 0.00 H new ATOM 0 HE2 PHE A 910 20.433 10.048 3.095 1.00 0.00 H new ATOM 0 HZ PHE A 910 19.216 10.922 5.041 1.00 0.00 H new ATOM 1115 N CYS A 911 14.780 12.065 -1.879 1.00 0.00 N ATOM 1116 CA CYS A 911 14.239 12.298 -3.186 1.00 0.00 C ATOM 1117 C CYS A 911 15.136 13.244 -4.010 1.00 0.00 C ATOM 1118 O CYS A 911 16.074 13.864 -3.466 1.00 0.00 O ATOM 1119 CB CYS A 911 12.829 12.892 -3.034 1.00 0.00 C ATOM 1120 SG CYS A 911 12.764 14.558 -2.342 1.00 0.00 S ATOM 0 H CYS A 911 14.275 12.538 -1.130 1.00 0.00 H new ATOM 0 HA CYS A 911 14.192 11.351 -3.724 1.00 0.00 H new ATOM 0 HB2 CYS A 911 12.350 12.904 -4.013 1.00 0.00 H new ATOM 0 HB3 CYS A 911 12.240 12.230 -2.400 1.00 0.00 H new ATOM 1125 N PRO A 912 14.876 13.349 -5.340 1.00 0.00 N ATOM 1126 CA PRO A 912 15.556 14.294 -6.235 1.00 0.00 C ATOM 1127 C PRO A 912 15.479 15.775 -5.769 1.00 0.00 C ATOM 1128 O PRO A 912 16.169 16.624 -6.314 1.00 0.00 O ATOM 1129 CB PRO A 912 14.836 14.115 -7.591 1.00 0.00 C ATOM 1130 CG PRO A 912 13.629 13.286 -7.291 1.00 0.00 C ATOM 1131 CD PRO A 912 13.981 12.467 -6.100 1.00 0.00 C ATOM 0 HA PRO A 912 16.625 14.083 -6.270 1.00 0.00 H new ATOM 0 HB2 PRO A 912 14.555 15.078 -8.017 1.00 0.00 H new ATOM 0 HB3 PRO A 912 15.482 13.621 -8.317 1.00 0.00 H new ATOM 0 HG2 PRO A 912 12.763 13.916 -7.089 1.00 0.00 H new ATOM 0 HG3 PRO A 912 13.371 12.651 -8.139 1.00 0.00 H new ATOM 0 HD2 PRO A 912 13.097 12.195 -5.522 1.00 0.00 H new ATOM 0 HD3 PRO A 912 14.476 11.538 -6.382 1.00 0.00 H new ATOM 1139 N LYS A 913 14.619 16.093 -4.802 1.00 0.00 N ATOM 1140 CA LYS A 913 14.617 17.441 -4.226 1.00 0.00 C ATOM 1141 C LYS A 913 15.811 17.544 -3.313 1.00 0.00 C ATOM 1142 O LYS A 913 16.694 18.393 -3.478 1.00 0.00 O ATOM 1143 CB LYS A 913 13.388 17.691 -3.335 1.00 0.00 C ATOM 1144 CG LYS A 913 12.033 17.767 -4.003 1.00 0.00 C ATOM 1145 CD LYS A 913 10.908 17.627 -2.951 1.00 0.00 C ATOM 1146 CE LYS A 913 10.958 18.696 -1.865 1.00 0.00 C ATOM 1147 NZ LYS A 913 10.072 18.368 -0.718 1.00 0.00 N ATOM 0 H LYS A 913 13.929 15.454 -4.407 1.00 0.00 H new ATOM 0 HA LYS A 913 14.622 18.156 -5.049 1.00 0.00 H new ATOM 0 HB2 LYS A 913 13.349 16.897 -2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 913 13.549 18.626 -2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 913 11.932 18.716 -4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 913 11.943 16.978 -4.749 1.00 0.00 H new ATOM 0 HD2 LYS A 913 9.942 17.676 -3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 913 10.976 16.644 -2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 913 11.983 18.805 -1.511 1.00 0.00 H new ATOM 0 HE3 LYS A 913 10.663 19.656 -2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 10.123 19.129 -0.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 9.092 18.272 -1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 10.380 17.473 -0.287 1.00 0.00 H new ATOM 1161 N CYS A 914 15.856 16.600 -2.408 1.00 0.00 N ATOM 1162 CA CYS A 914 16.766 16.608 -1.318 1.00 0.00 C ATOM 1163 C CYS A 914 18.168 16.213 -1.674 1.00 0.00 C ATOM 1164 O CYS A 914 19.102 16.912 -1.327 1.00 0.00 O ATOM 1165 CB CYS A 914 16.199 15.769 -0.201 1.00 0.00 C ATOM 1166 SG CYS A 914 14.600 16.390 0.355 1.00 0.00 S ATOM 0 H CYS A 914 15.239 15.788 -2.420 1.00 0.00 H new ATOM 0 HA CYS A 914 16.869 17.642 -0.987 1.00 0.00 H new ATOM 0 HB2 CYS A 914 16.091 14.738 -0.539 1.00 0.00 H new ATOM 0 HB3 CYS A 914 16.897 15.759 0.637 1.00 0.00 H new ATOM 1171 N ALA A 915 18.321 15.147 -2.399 1.00 0.00 N ATOM 1172 CA ALA A 915 19.649 14.669 -2.717 1.00 0.00 C ATOM 1173 C ALA A 915 20.374 15.634 -3.663 1.00 0.00 C ATOM 1174 O ALA A 915 21.600 15.694 -3.690 1.00 0.00 O ATOM 1175 CB ALA A 915 19.598 13.262 -3.284 1.00 0.00 C ATOM 0 H ALA A 915 17.557 14.590 -2.782 1.00 0.00 H new ATOM 0 HA ALA A 915 20.224 14.630 -1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 915 20.609 12.926 -3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 915 19.151 12.590 -2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 915 18.998 13.258 -4.194 1.00 0.00 H new ATOM 1181 N ASN A 916 19.599 16.412 -4.384 1.00 0.00 N ATOM 1182 CA ASN A 916 20.125 17.383 -5.332 1.00 0.00 C ATOM 1183 C ASN A 916 20.439 18.702 -4.611 1.00 0.00 C ATOM 1184 O ASN A 916 21.439 19.359 -4.905 1.00 0.00 O ATOM 1185 CB ASN A 916 19.090 17.591 -6.450 1.00 0.00 C ATOM 1186 CG ASN A 916 19.544 18.453 -7.629 1.00 0.00 C ATOM 1187 OD1 ASN A 916 20.318 19.394 -7.500 1.00 0.00 O ATOM 1188 ND2 ASN A 916 19.071 18.113 -8.794 1.00 0.00 N ATOM 0 H ASN A 916 18.580 16.393 -4.333 1.00 0.00 H new ATOM 0 HA ASN A 916 21.053 17.017 -5.772 1.00 0.00 H new ATOM 0 HB2 ASN A 916 18.795 16.614 -6.832 1.00 0.00 H new ATOM 0 HB3 ASN A 916 18.200 18.045 -6.015 1.00 0.00 H new ATOM 0 HD21 ASN A 916 19.344 18.635 -9.627 1.00 0.00 H new ATOM 0 HD22 ASN A 916 18.428 17.325 -8.873 1.00 0.00 H new ATOM 1195 N LYS A 917 19.619 19.054 -3.616 1.00 0.00 N ATOM 1196 CA LYS A 917 19.786 20.323 -2.892 1.00 0.00 C ATOM 1197 C LYS A 917 21.009 20.271 -1.987 1.00 0.00 C ATOM 1198 O LYS A 917 21.468 21.306 -1.504 1.00 0.00 O ATOM 1199 CB LYS A 917 18.534 20.668 -2.066 1.00 0.00 C ATOM 1200 CG LYS A 917 18.401 19.837 -0.812 1.00 0.00 C ATOM 1201 CD LYS A 917 17.041 19.941 -0.180 1.00 0.00 C ATOM 1202 CE LYS A 917 16.990 19.077 1.066 1.00 0.00 C ATOM 1203 NZ LYS A 917 15.615 18.884 1.543 1.00 0.00 N ATOM 0 H LYS A 917 18.837 18.484 -3.293 1.00 0.00 H new ATOM 0 HA LYS A 917 19.930 21.107 -3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 917 18.566 21.723 -1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 917 17.648 20.525 -2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 917 18.606 18.793 -1.051 1.00 0.00 H new ATOM 0 HG3 LYS A 917 19.155 20.153 -0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 917 16.826 20.979 0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 917 16.275 19.622 -0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 917 17.440 18.107 0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 917 17.586 19.539 1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 15.631 18.596 2.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 15.086 19.775 1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 15.152 18.145 0.977 1.00 0.00 H new ATOM 1217 N ILE A 918 21.501 19.056 -1.720 1.00 0.00 N ATOM 1218 CA ILE A 918 22.714 18.865 -0.941 1.00 0.00 C ATOM 1219 C ILE A 918 23.849 19.571 -1.655 1.00 0.00 C ATOM 1220 O ILE A 918 24.453 20.510 -1.123 1.00 0.00 O ATOM 1221 CB ILE A 918 23.086 17.353 -0.826 1.00 0.00 C ATOM 1222 CG1 ILE A 918 21.955 16.533 -0.188 1.00 0.00 C ATOM 1223 CG2 ILE A 918 24.386 17.164 -0.055 1.00 0.00 C ATOM 1224 CD1 ILE A 918 21.581 16.943 1.221 1.00 0.00 C ATOM 0 H ILE A 918 21.069 18.189 -2.038 1.00 0.00 H new ATOM 0 HA ILE A 918 22.550 19.263 0.060 1.00 0.00 H new ATOM 0 HB ILE A 918 23.231 16.982 -1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 918 21.070 16.611 -0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 918 22.249 15.483 -0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 918 24.620 16.101 0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 918 25.194 17.683 -0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 918 24.276 17.573 0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 918 20.774 16.306 1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 918 22.448 16.837 1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 918 21.251 17.982 1.222 1.00 0.00 H new ATOM 1236 N LYS A 919 24.046 19.140 -2.897 1.00 0.00 N ATOM 1237 CA LYS A 919 25.089 19.595 -3.794 1.00 0.00 C ATOM 1238 C LYS A 919 26.422 19.736 -3.082 1.00 0.00 C ATOM 1239 O LYS A 919 26.877 20.849 -2.755 1.00 0.00 O ATOM 1240 CB LYS A 919 24.684 20.850 -4.561 1.00 0.00 C ATOM 1241 CG LYS A 919 25.675 21.252 -5.633 1.00 0.00 C ATOM 1242 CD LYS A 919 25.156 22.387 -6.485 1.00 0.00 C ATOM 1243 CE LYS A 919 26.099 22.668 -7.645 1.00 0.00 C ATOM 1244 NZ LYS A 919 26.358 21.445 -8.441 1.00 0.00 N ATOM 0 H LYS A 919 23.450 18.429 -3.321 1.00 0.00 H new ATOM 0 HA LYS A 919 25.227 18.820 -4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 919 23.710 20.685 -5.022 1.00 0.00 H new ATOM 0 HB3 LYS A 919 24.569 21.674 -3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 919 26.614 21.549 -5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 919 25.892 20.392 -6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 919 24.166 22.137 -6.868 1.00 0.00 H new ATOM 0 HD3 LYS A 919 25.045 23.284 -5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 919 25.669 23.437 -8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 919 27.041 23.061 -7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 919 26.674 21.712 -9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 919 27.097 20.879 -7.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 919 25.485 20.884 -8.510 1.00 0.00 H new ATOM 1258 N LYS A 920 26.999 18.613 -2.786 1.00 0.00 N ATOM 1259 CA LYS A 920 28.239 18.532 -2.059 1.00 0.00 C ATOM 1260 C LYS A 920 29.081 17.427 -2.619 1.00 0.00 C ATOM 1261 O LYS A 920 28.879 16.241 -2.304 1.00 0.00 O ATOM 1262 CB LYS A 920 28.017 18.307 -0.553 1.00 0.00 C ATOM 1263 CG LYS A 920 27.346 19.461 0.171 1.00 0.00 C ATOM 1264 CD LYS A 920 27.123 19.142 1.631 1.00 0.00 C ATOM 1265 CE LYS A 920 26.413 20.277 2.336 1.00 0.00 C ATOM 1266 NZ LYS A 920 26.206 19.992 3.772 1.00 0.00 N ATOM 0 H LYS A 920 26.617 17.704 -3.046 1.00 0.00 H new ATOM 0 HA LYS A 920 28.751 19.487 -2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 920 27.411 17.411 -0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 920 28.981 18.113 -0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 920 27.963 20.355 0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 920 26.391 19.684 -0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 920 26.534 18.229 1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 920 28.081 18.952 2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 920 26.995 21.192 2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 920 25.449 20.454 1.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 920 25.717 20.794 4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 920 25.629 19.133 3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 920 27.127 19.848 4.234 1.00 0.00 H new ATOM 1280 N ASP A 921 29.985 17.805 -3.476 1.00 0.00 N ATOM 1281 CA ASP A 921 30.917 16.876 -4.073 1.00 0.00 C ATOM 1282 C ASP A 921 32.000 16.600 -3.063 1.00 0.00 C ATOM 1283 O ASP A 921 32.184 17.377 -2.110 1.00 0.00 O ATOM 1284 CB ASP A 921 31.568 17.464 -5.348 1.00 0.00 C ATOM 1285 CG ASP A 921 32.605 18.550 -5.052 1.00 0.00 C ATOM 1286 OD1 ASP A 921 32.221 19.708 -4.764 1.00 0.00 O ATOM 1287 OD2 ASP A 921 33.828 18.258 -5.084 1.00 0.00 O ATOM 0 H ASP A 921 30.102 18.770 -3.786 1.00 0.00 H new ATOM 0 HA ASP A 921 30.382 15.969 -4.354 1.00 0.00 H new ATOM 0 HB2 ASP A 921 32.044 16.660 -5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 921 30.789 17.880 -5.987 1.00 0.00 H new ATOM 1292 N LYS A 922 32.703 15.537 -3.243 1.00 0.00 N ATOM 1293 CA LYS A 922 33.784 15.203 -2.374 1.00 0.00 C ATOM 1294 C LYS A 922 34.940 14.640 -3.166 1.00 0.00 C ATOM 1295 O LYS A 922 34.789 14.321 -4.359 1.00 0.00 O ATOM 1296 CB LYS A 922 33.323 14.282 -1.204 1.00 0.00 C ATOM 1297 CG LYS A 922 32.511 13.029 -1.578 1.00 0.00 C ATOM 1298 CD LYS A 922 33.320 11.989 -2.336 1.00 0.00 C ATOM 1299 CE LYS A 922 32.502 10.740 -2.610 1.00 0.00 C ATOM 1300 NZ LYS A 922 32.100 10.059 -1.366 1.00 0.00 N ATOM 0 H LYS A 922 32.547 14.870 -3.999 1.00 0.00 H new ATOM 0 HA LYS A 922 34.144 16.114 -1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 922 34.209 13.960 -0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 922 32.725 14.881 -0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 922 32.114 12.578 -0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 922 31.656 13.327 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 922 33.667 12.412 -3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 922 34.207 11.725 -1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 922 31.613 11.007 -3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 922 33.083 10.054 -3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 31.788 9.091 -1.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 32.909 10.023 -0.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 31.319 10.582 -0.921 1.00 0.00 H new ATOM 1314 N LYS A 923 36.068 14.537 -2.538 1.00 0.00 N ATOM 1315 CA LYS A 923 37.237 14.009 -3.172 1.00 0.00 C ATOM 1316 C LYS A 923 37.799 12.884 -2.331 1.00 0.00 C ATOM 1317 O LYS A 923 37.307 12.621 -1.223 1.00 0.00 O ATOM 1318 CB LYS A 923 38.299 15.104 -3.356 1.00 0.00 C ATOM 1319 CG LYS A 923 38.858 15.670 -2.055 1.00 0.00 C ATOM 1320 CD LYS A 923 39.983 16.695 -2.271 1.00 0.00 C ATOM 1321 CE LYS A 923 41.322 16.093 -2.778 1.00 0.00 C ATOM 1322 NZ LYS A 923 41.293 15.608 -4.188 1.00 0.00 N ATOM 0 H LYS A 923 36.206 14.817 -1.567 1.00 0.00 H new ATOM 0 HA LYS A 923 36.962 13.630 -4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 923 39.122 14.698 -3.944 1.00 0.00 H new ATOM 0 HB3 LYS A 923 37.865 15.919 -3.935 1.00 0.00 H new ATOM 0 HG2 LYS A 923 38.050 16.141 -1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 923 39.235 14.851 -1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 923 39.642 17.442 -2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 923 40.167 17.215 -1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 923 42.103 16.848 -2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 923 41.601 15.263 -2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 923 42.193 15.842 -4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 923 41.156 14.577 -4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 923 40.510 16.066 -4.697 1.00 0.00 H new ATOM 1336 N HIS A 924 38.802 12.228 -2.839 1.00 0.00 N ATOM 1337 CA HIS A 924 39.465 11.184 -2.116 1.00 0.00 C ATOM 1338 C HIS A 924 40.719 11.764 -1.495 1.00 0.00 C ATOM 1339 O HIS A 924 40.720 12.056 -0.285 1.00 0.00 O ATOM 1340 CB HIS A 924 39.801 10.003 -3.045 1.00 0.00 C ATOM 1341 CG HIS A 924 40.504 8.868 -2.357 1.00 0.00 C ATOM 1342 ND1 HIS A 924 41.848 8.599 -2.513 1.00 0.00 N ATOM 1343 CD2 HIS A 924 40.036 7.932 -1.503 1.00 0.00 C ATOM 1344 CE1 HIS A 924 42.170 7.554 -1.784 1.00 0.00 C ATOM 1345 NE2 HIS A 924 41.090 7.126 -1.156 1.00 0.00 N ATOM 1346 OXT HIS A 924 41.690 11.992 -2.229 1.00 0.00 O ATOM 0 H HIS A 924 39.183 12.403 -3.769 1.00 0.00 H new ATOM 0 HA HIS A 924 38.811 10.798 -1.334 1.00 0.00 H new ATOM 0 HB2 HIS A 924 38.879 9.630 -3.490 1.00 0.00 H new ATOM 0 HB3 HIS A 924 40.426 10.363 -3.862 1.00 0.00 H new ATOM 0 HD2 HIS A 924 39.018 7.836 -1.157 1.00 0.00 H new ATOM 0 HE1 HIS A 924 43.155 7.117 -1.711 1.00 0.00 H new ATOM 0 HE2 HIS A 924 41.047 6.330 -0.520 1.00 0.00 H new TER 1355 HIS A 924 HETATM 1356 ZN ZN A 940 12.887 14.876 -0.131 1.00 0.00 ZN HETATM 1357 ZN ZN A 941 4.155 9.258 -9.493 1.00 0.00 ZN