USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=24 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 Set 1.1: A 892 TYR OH : rot 17:sc= 2.31 USER MOD Set 1.2: A 913 LYS NZ :NH3+ -164:sc= 2.29 (180deg=-0.151) USER MOD Set 2.1: A 853 MET CE :methyl 144:sc= -0.0425 (180deg=-0.231) USER MOD Set 2.2: A 857 TYR OH : rot 180:sc= -0.437 USER MOD Set 2.3: A 874 ASN :FLIP amide:sc=-0.00256 F(o=-1.2,f=-0.48) 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=-0.0073) USER MOD Single : A 855 MET CE :methyl -158:sc= -0.185 (180deg=-0.85) USER MOD Single : A 865 ASN :FLIP amide:sc= -0.915 F(o=-2!,f=-0.91) USER MOD Single : A 866 GLN :FLIP amide:sc= -0.0134 F(o=-1,f=-0.013) USER MOD Single : A 870 CYS SG : rot 169:sc= 2.03 USER MOD Single : A 875 LYS NZ :NH3+ 145:sc= 0.311 (180deg=-2.25!) USER MOD Single : A 880 SER OG : rot -172:sc= 0.288 USER MOD Single : A 882 MET CE :methyl -129:sc= -0.0915 (180deg=-0.447) USER MOD Single : A 900 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 907 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 908 GLN :FLIP amide:sc= -0.0814 F(o=-1.2,f=-0.081) USER MOD Single : A 916 ASN : amide:sc= -0.332 K(o=-0.33,f=-2.2!) USER MOD Single : A 917 LYS NZ :NH3+ -133:sc= 0.934 (180deg=-0.835!) USER MOD Single : A 919 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00761) USER MOD Single : A 920 LYS NZ :NH3+ 159:sc= 1.27 (180deg=0.976) USER MOD Single : A 922 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 923 LYS NZ :NH3+ 131:sc=-0.00344 (180deg=-0.192) USER MOD Single : A 924 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : P 1 ALA N :NH3+ -148:sc= 2.25 (180deg=-0.0258) USER MOD Single : P 3 THR OG1 : rot -138:sc= 0.366 USER MOD Single : P 5 GLN : amide:sc= 0.475 K(o=0.47,f=-1.4!) USER MOD Single : P 6 THR OG1 : rot -176:sc= -0.341 USER MOD Single : P 9 LYS NZ :NH3+ -112:sc= 1.9 (180deg=0.605) USER MOD Single : P 10 SER OG : rot 104:sc= 1.25 USER MOD Single : P 11 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 13.040 6.516 4.617 1.00 0.00 N ATOM 2 CA ALA P 1 12.409 6.139 3.354 1.00 0.00 C ATOM 3 C ALA P 1 11.076 5.548 3.642 1.00 0.00 C ATOM 4 O ALA P 1 10.909 4.333 3.620 1.00 0.00 O ATOM 5 CB ALA P 1 13.242 5.113 2.579 1.00 0.00 C ATOM 0 H1 ALA P 1 13.639 7.353 4.469 1.00 0.00 H new ATOM 0 H2 ALA P 1 12.306 6.735 5.320 1.00 0.00 H new ATOM 0 H3 ALA P 1 13.625 5.728 4.962 1.00 0.00 H new ATOM 0 HA ALA P 1 12.322 7.037 2.742 1.00 0.00 H new ATOM 0 HB1 ALA P 1 12.735 4.862 1.647 1.00 0.00 H new ATOM 0 HB2 ALA P 1 14.223 5.534 2.357 1.00 0.00 H new ATOM 0 HB3 ALA P 1 13.362 4.212 3.181 1.00 0.00 H new ATOM 13 N ARG P 2 10.143 6.394 3.979 1.00 0.00 N ATOM 14 CA ARG P 2 8.812 5.965 4.288 1.00 0.00 C ATOM 15 C ARG P 2 8.179 5.322 3.084 1.00 0.00 C ATOM 16 O ARG P 2 8.028 5.949 2.048 1.00 0.00 O ATOM 17 CB ARG P 2 8.006 7.139 4.759 1.00 0.00 C ATOM 18 CG ARG P 2 7.643 7.084 6.217 1.00 0.00 C ATOM 19 CD ARG P 2 6.980 8.362 6.649 1.00 0.00 C ATOM 20 NE ARG P 2 7.867 9.499 6.444 1.00 0.00 N ATOM 21 CZ ARG P 2 7.503 10.776 6.461 1.00 0.00 C ATOM 22 NH1 ARG P 2 6.229 11.115 6.589 1.00 0.00 N ATOM 23 NH2 ARG P 2 8.414 11.707 6.308 1.00 0.00 N ATOM 0 H ARG P 2 10.286 7.402 4.047 1.00 0.00 H new ATOM 0 HA ARG P 2 8.845 5.222 5.085 1.00 0.00 H new ATOM 0 HB2 ARG P 2 8.569 8.053 4.569 1.00 0.00 H new ATOM 0 HB3 ARG P 2 7.091 7.199 4.169 1.00 0.00 H new ATOM 0 HG2 ARG P 2 6.975 6.242 6.399 1.00 0.00 H new ATOM 0 HG3 ARG P 2 8.539 6.914 6.814 1.00 0.00 H new ATOM 0 HD2 ARG P 2 6.058 8.508 6.085 1.00 0.00 H new ATOM 0 HD3 ARG P 2 6.703 8.296 7.701 1.00 0.00 H new ATOM 0 HE ARG P 2 8.852 9.297 6.273 1.00 0.00 H new ATOM 0 HH11 ARG P 2 5.515 10.392 6.676 1.00 0.00 H new ATOM 0 HH12 ARG P 2 5.962 12.099 6.601 1.00 0.00 H new ATOM 0 HH21 ARG P 2 9.392 11.447 6.177 1.00 0.00 H new ATOM 0 HH22 ARG P 2 8.145 12.691 6.319 1.00 0.00 H new ATOM 37 N THR P 3 7.874 4.070 3.202 1.00 0.00 N ATOM 38 CA THR P 3 7.303 3.329 2.131 1.00 0.00 C ATOM 39 C THR P 3 5.999 2.688 2.540 1.00 0.00 C ATOM 40 O THR P 3 5.852 2.220 3.683 1.00 0.00 O ATOM 41 CB THR P 3 8.282 2.255 1.656 1.00 0.00 C ATOM 42 OG1 THR P 3 8.909 1.626 2.807 1.00 0.00 O ATOM 43 CG2 THR P 3 9.334 2.848 0.746 1.00 0.00 C ATOM 0 H THR P 3 8.017 3.530 4.055 1.00 0.00 H new ATOM 0 HA THR P 3 7.099 4.022 1.315 1.00 0.00 H new ATOM 0 HB THR P 3 7.731 1.505 1.089 1.00 0.00 H new ATOM 0 HG1 THR P 3 9.865 1.503 2.632 1.00 0.00 H new ATOM 0 HG21 THR P 3 10.018 2.064 0.422 1.00 0.00 H new ATOM 0 HG22 THR P 3 8.853 3.293 -0.125 1.00 0.00 H new ATOM 0 HG23 THR P 3 9.890 3.615 1.285 1.00 0.00 H new HETATM 51 N M3L P 4 5.043 2.723 1.641 1.00 0.00 N HETATM 52 CA M3L P 4 3.763 2.082 1.824 1.00 0.00 C HETATM 53 CB M3L P 4 2.881 2.776 2.927 1.00 0.00 C HETATM 54 CG M3L P 4 2.947 4.324 3.053 1.00 0.00 C HETATM 55 CD M3L P 4 2.689 5.093 1.741 1.00 0.00 C HETATM 56 CE M3L P 4 1.240 4.982 1.223 1.00 0.00 C HETATM 57 NZ M3L P 4 0.456 6.305 1.321 1.00 0.00 N HETATM 58 C M3L P 4 3.004 2.121 0.536 1.00 0.00 C HETATM 59 O M3L P 4 3.416 2.801 -0.411 1.00 0.00 O HETATM 60 CM1 M3L P 4 1.357 7.532 1.182 1.00 0.00 C HETATM 61 CM2 M3L P 4 -0.561 6.344 0.197 1.00 0.00 C HETATM 62 CM3 M3L P 4 -0.257 6.348 2.661 1.00 0.00 C HETATM 0 HM33 M3L P 4 -0.943 5.504 2.735 1.00 0.00 H new HETATM 0 HM32 M3L P 4 0.476 6.291 3.465 1.00 0.00 H new HETATM 0 HM31 M3L P 4 -0.817 7.279 2.746 1.00 0.00 H new HETATM 0 HM23 M3L P 4 -0.046 6.287 -0.762 1.00 0.00 H new HETATM 0 HM22 M3L P 4 -1.243 5.499 0.294 1.00 0.00 H new HETATM 0 HM21 M3L P 4 -1.126 7.274 0.250 1.00 0.00 H new HETATM 0 HM13 M3L P 4 2.105 7.526 1.975 1.00 0.00 H new HETATM 0 HM12 M3L P 4 1.856 7.509 0.213 1.00 0.00 H new HETATM 0 HM11 M3L P 4 0.754 8.437 1.258 1.00 0.00 H new HETATM 0 HG3 M3L P 4 2.216 4.645 3.795 1.00 0.00 H new HETATM 0 HG2 M3L P 4 3.930 4.602 3.433 1.00 0.00 H new HETATM 0 HE3 M3L P 4 1.257 4.654 0.184 1.00 0.00 H new HETATM 0 HE2 M3L P 4 0.716 4.214 1.792 1.00 0.00 H new HETATM 0 HD3 M3L P 4 2.929 6.145 1.895 1.00 0.00 H new HETATM 0 HD2 M3L P 4 3.368 4.720 0.974 1.00 0.00 H new HETATM 0 HB3 M3L P 4 1.842 2.501 2.745 1.00 0.00 H new HETATM 0 HB2 M3L P 4 3.159 2.351 3.892 1.00 0.00 H new HETATM 0 HA M3L P 4 3.966 1.061 2.146 1.00 0.00 H new ATOM 82 N GLN P 5 1.928 1.413 0.503 1.00 0.00 N ATOM 83 CA GLN P 5 0.956 1.558 -0.516 1.00 0.00 C ATOM 84 C GLN P 5 -0.378 1.572 0.163 1.00 0.00 C ATOM 85 O GLN P 5 -0.520 0.954 1.229 1.00 0.00 O ATOM 86 CB GLN P 5 1.111 0.541 -1.676 1.00 0.00 C ATOM 87 CG GLN P 5 1.046 -0.940 -1.393 1.00 0.00 C ATOM 88 CD GLN P 5 -0.353 -1.458 -1.402 1.00 0.00 C ATOM 89 OE1 GLN P 5 -1.033 -1.520 -0.384 1.00 0.00 O ATOM 90 NE2 GLN P 5 -0.802 -1.824 -2.573 1.00 0.00 N ATOM 0 H GLN P 5 1.698 0.704 1.199 1.00 0.00 H new ATOM 0 HA GLN P 5 1.087 2.499 -1.050 1.00 0.00 H new ATOM 0 HB2 GLN P 5 0.337 0.765 -2.410 1.00 0.00 H new ATOM 0 HB3 GLN P 5 2.070 0.738 -2.154 1.00 0.00 H new ATOM 0 HG2 GLN P 5 1.634 -1.476 -2.138 1.00 0.00 H new ATOM 0 HG3 GLN P 5 1.500 -1.142 -0.423 1.00 0.00 H new ATOM 0 HE21 GLN P 5 -0.201 -1.755 -3.394 1.00 0.00 H new ATOM 0 HE22 GLN P 5 -1.754 -2.179 -2.666 1.00 0.00 H new ATOM 99 N THR P 6 -1.295 2.359 -0.350 1.00 0.00 N ATOM 100 CA THR P 6 -2.583 2.561 0.275 1.00 0.00 C ATOM 101 C THR P 6 -3.312 1.223 0.477 1.00 0.00 C ATOM 102 O THR P 6 -3.474 0.772 1.617 1.00 0.00 O ATOM 103 CB THR P 6 -3.404 3.516 -0.587 1.00 0.00 C ATOM 104 OG1 THR P 6 -2.470 4.404 -1.249 1.00 0.00 O ATOM 105 CG2 THR P 6 -4.328 4.342 0.293 1.00 0.00 C ATOM 0 H THR P 6 -1.168 2.880 -1.218 1.00 0.00 H new ATOM 0 HA THR P 6 -2.444 3.000 1.263 1.00 0.00 H new ATOM 0 HB THR P 6 -4.006 2.960 -1.306 1.00 0.00 H new ATOM 0 HG1 THR P 6 -2.965 5.072 -1.768 1.00 0.00 H new ATOM 0 HG21 THR P 6 -4.911 5.022 -0.329 1.00 0.00 H new ATOM 0 HG22 THR P 6 -5.001 3.679 0.836 1.00 0.00 H new ATOM 0 HG23 THR P 6 -3.735 4.918 1.003 1.00 0.00 H new ATOM 113 N ALA P 7 -3.676 0.581 -0.628 1.00 0.00 N ATOM 114 CA ALA P 7 -4.323 -0.726 -0.634 1.00 0.00 C ATOM 115 C ALA P 7 -4.584 -1.136 -2.065 1.00 0.00 C ATOM 116 O ALA P 7 -3.738 -1.769 -2.703 1.00 0.00 O ATOM 117 CB ALA P 7 -5.618 -0.761 0.194 1.00 0.00 C ATOM 0 H ALA P 7 -3.527 0.962 -1.562 1.00 0.00 H new ATOM 0 HA ALA P 7 -3.648 -1.437 -0.157 1.00 0.00 H new ATOM 0 HB1 ALA P 7 -6.051 -1.760 0.150 1.00 0.00 H new ATOM 0 HB2 ALA P 7 -5.394 -0.508 1.230 1.00 0.00 H new ATOM 0 HB3 ALA P 7 -6.328 -0.039 -0.210 1.00 0.00 H new ATOM 123 N ARG P 8 -5.718 -0.728 -2.589 1.00 0.00 N ATOM 124 CA ARG P 8 -6.076 -1.022 -3.969 1.00 0.00 C ATOM 125 C ARG P 8 -6.713 0.196 -4.600 1.00 0.00 C ATOM 126 O ARG P 8 -6.308 0.629 -5.671 1.00 0.00 O ATOM 127 CB ARG P 8 -7.037 -2.221 -4.073 1.00 0.00 C ATOM 128 CG ARG P 8 -6.495 -3.530 -3.506 1.00 0.00 C ATOM 129 CD ARG P 8 -7.475 -4.671 -3.689 1.00 0.00 C ATOM 130 NE ARG P 8 -7.009 -5.896 -3.049 1.00 0.00 N ATOM 131 CZ ARG P 8 -7.264 -7.141 -3.464 1.00 0.00 C ATOM 132 NH1 ARG P 8 -8.033 -7.369 -4.528 1.00 0.00 N ATOM 133 NH2 ARG P 8 -6.760 -8.153 -2.794 1.00 0.00 N ATOM 0 H ARG P 8 -6.417 -0.187 -2.080 1.00 0.00 H new ATOM 0 HA ARG P 8 -5.161 -1.284 -4.500 1.00 0.00 H new ATOM 0 HB2 ARG P 8 -7.962 -1.972 -3.553 1.00 0.00 H new ATOM 0 HB3 ARG P 8 -7.292 -2.374 -5.122 1.00 0.00 H new ATOM 0 HG2 ARG P 8 -5.554 -3.777 -3.997 1.00 0.00 H new ATOM 0 HG3 ARG P 8 -6.277 -3.404 -2.445 1.00 0.00 H new ATOM 0 HD2 ARG P 8 -8.442 -4.389 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG P 8 -7.627 -4.852 -4.753 1.00 0.00 H new ATOM 0 HE ARG P 8 -6.438 -5.794 -2.210 1.00 0.00 H new ATOM 0 HH11 ARG P 8 -8.439 -6.586 -5.041 1.00 0.00 H new ATOM 0 HH12 ARG P 8 -8.216 -8.326 -4.829 1.00 0.00 H new ATOM 0 HH21 ARG P 8 -6.183 -7.983 -1.970 1.00 0.00 H new ATOM 0 HH22 ARG P 8 -6.945 -9.109 -3.098 1.00 0.00 H new ATOM 147 N LYS P 9 -7.730 0.744 -3.913 1.00 0.00 N ATOM 148 CA LYS P 9 -8.486 1.932 -4.355 1.00 0.00 C ATOM 149 C LYS P 9 -9.244 1.674 -5.650 1.00 0.00 C ATOM 150 O LYS P 9 -9.674 2.587 -6.356 1.00 0.00 O ATOM 151 CB LYS P 9 -7.591 3.182 -4.402 1.00 0.00 C ATOM 152 CG LYS P 9 -7.187 3.647 -3.005 1.00 0.00 C ATOM 153 CD LYS P 9 -6.197 4.803 -3.008 1.00 0.00 C ATOM 154 CE LYS P 9 -6.690 6.006 -3.777 1.00 0.00 C ATOM 155 NZ LYS P 9 -5.784 7.158 -3.604 1.00 0.00 N ATOM 0 H LYS P 9 -8.056 0.370 -3.022 1.00 0.00 H new ATOM 0 HA LYS P 9 -9.252 2.140 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS P 9 -6.696 2.966 -4.985 1.00 0.00 H new ATOM 0 HB3 LYS P 9 -8.118 3.987 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS P 9 -8.081 3.947 -2.459 1.00 0.00 H new ATOM 0 HG3 LYS P 9 -6.750 2.807 -2.464 1.00 0.00 H new ATOM 0 HD2 LYS P 9 -5.989 5.098 -1.979 1.00 0.00 H new ATOM 0 HD3 LYS P 9 -5.255 4.465 -3.439 1.00 0.00 H new ATOM 0 HE2 LYS P 9 -6.768 5.757 -4.835 1.00 0.00 H new ATOM 0 HE3 LYS P 9 -7.691 6.273 -3.437 1.00 0.00 H new ATOM 0 HZ1 LYS P 9 -6.265 7.899 -3.055 1.00 0.00 H new ATOM 0 HZ2 LYS P 9 -4.928 6.853 -3.098 1.00 0.00 H new ATOM 0 HZ3 LYS P 9 -5.519 7.535 -4.537 1.00 0.00 H new ATOM 169 N SER P 10 -9.443 0.420 -5.912 1.00 0.00 N ATOM 170 CA SER P 10 -10.197 -0.037 -7.014 1.00 0.00 C ATOM 171 C SER P 10 -11.270 -0.947 -6.458 1.00 0.00 C ATOM 172 O SER P 10 -11.000 -1.780 -5.590 1.00 0.00 O ATOM 173 CB SER P 10 -9.300 -0.773 -8.019 1.00 0.00 C ATOM 174 OG SER P 10 -10.056 -1.287 -9.106 1.00 0.00 O ATOM 0 H SER P 10 -9.066 -0.333 -5.337 1.00 0.00 H new ATOM 0 HA SER P 10 -10.647 0.795 -7.556 1.00 0.00 H new ATOM 0 HB2 SER P 10 -8.536 -0.092 -8.394 1.00 0.00 H new ATOM 0 HB3 SER P 10 -8.781 -1.589 -7.516 1.00 0.00 H new ATOM 0 HG SER P 10 -9.923 -0.720 -9.894 1.00 0.00 H new ATOM 180 N THR P 11 -12.475 -0.747 -6.896 1.00 0.00 N ATOM 181 CA THR P 11 -13.606 -1.505 -6.425 1.00 0.00 C ATOM 182 C THR P 11 -14.007 -2.547 -7.494 1.00 0.00 C ATOM 183 O THR P 11 -15.145 -3.005 -7.563 1.00 0.00 O ATOM 184 CB THR P 11 -14.755 -0.514 -6.160 1.00 0.00 C ATOM 185 OG1 THR P 11 -14.192 0.610 -5.473 1.00 0.00 O ATOM 186 CG2 THR P 11 -15.831 -1.126 -5.267 1.00 0.00 C ATOM 0 H THR P 11 -12.709 -0.046 -7.599 1.00 0.00 H new ATOM 0 HA THR P 11 -13.367 -2.042 -5.507 1.00 0.00 H new ATOM 0 HB THR P 11 -15.216 -0.238 -7.108 1.00 0.00 H new ATOM 0 HG1 THR P 11 -14.896 1.266 -5.288 1.00 0.00 H new ATOM 0 HG21 THR P 11 -16.625 -0.397 -5.102 1.00 0.00 H new ATOM 0 HG22 THR P 11 -16.245 -2.011 -5.750 1.00 0.00 H new ATOM 0 HG23 THR P 11 -15.392 -1.407 -4.310 1.00 0.00 H new ATOM 194 N GLY P 12 -13.048 -2.937 -8.300 1.00 0.00 N ATOM 195 CA GLY P 12 -13.320 -3.879 -9.351 1.00 0.00 C ATOM 196 C GLY P 12 -12.867 -3.345 -10.678 1.00 0.00 C ATOM 197 O GLY P 12 -12.727 -4.088 -11.649 1.00 0.00 O ATOM 0 H GLY P 12 -12.081 -2.618 -8.247 1.00 0.00 H new ATOM 0 HA2 GLY P 12 -12.813 -4.821 -9.141 1.00 0.00 H new ATOM 0 HA3 GLY P 12 -14.388 -4.093 -9.386 1.00 0.00 H new ATOM 201 N GLY P 13 -12.644 -2.062 -10.727 1.00 0.00 N ATOM 202 CA GLY P 13 -12.207 -1.422 -11.927 1.00 0.00 C ATOM 203 C GLY P 13 -11.672 -0.069 -11.614 1.00 0.00 C ATOM 204 O GLY P 13 -12.446 0.908 -11.616 1.00 0.00 O ATOM 205 OXT GLY P 13 -10.489 0.051 -11.305 1.00 0.00 O ATOM 0 H GLY P 13 -12.761 -1.433 -9.933 1.00 0.00 H new ATOM 0 HA2 GLY P 13 -11.438 -2.024 -12.411 1.00 0.00 H new ATOM 0 HA3 GLY P 13 -13.037 -1.341 -12.629 1.00 0.00 H new TER 209 GLY P 13 ATOM 210 N GLY A 850 0.224 28.043 -13.614 1.00 0.00 N ATOM 211 CA GLY A 850 0.972 28.028 -12.355 1.00 0.00 C ATOM 212 C GLY A 850 0.063 28.224 -11.177 1.00 0.00 C ATOM 213 O GLY A 850 -0.311 29.342 -10.861 1.00 0.00 O ATOM 0 HA2 GLY A 850 1.501 27.080 -12.255 1.00 0.00 H new ATOM 0 HA3 GLY A 850 1.727 28.814 -12.369 1.00 0.00 H new ATOM 219 N SER A 851 -0.309 27.150 -10.535 1.00 0.00 N ATOM 220 CA SER A 851 -1.177 27.209 -9.381 1.00 0.00 C ATOM 221 C SER A 851 -0.387 26.918 -8.111 1.00 0.00 C ATOM 222 O SER A 851 0.819 26.646 -8.175 1.00 0.00 O ATOM 223 CB SER A 851 -2.340 26.236 -9.554 1.00 0.00 C ATOM 224 OG SER A 851 -3.126 26.614 -10.674 1.00 0.00 O ATOM 0 H SER A 851 -0.021 26.207 -10.794 1.00 0.00 H new ATOM 0 HA SER A 851 -1.590 28.214 -9.290 1.00 0.00 H new ATOM 0 HB2 SER A 851 -1.961 25.223 -9.691 1.00 0.00 H new ATOM 0 HB3 SER A 851 -2.955 26.227 -8.654 1.00 0.00 H new ATOM 0 HG SER A 851 -3.869 25.984 -10.780 1.00 0.00 H new ATOM 230 N HIS A 852 -1.037 26.998 -6.970 1.00 0.00 N ATOM 231 CA HIS A 852 -0.376 26.742 -5.708 1.00 0.00 C ATOM 232 C HIS A 852 -0.221 25.250 -5.489 1.00 0.00 C ATOM 233 O HIS A 852 -1.156 24.555 -5.058 1.00 0.00 O ATOM 234 CB HIS A 852 -1.104 27.414 -4.534 1.00 0.00 C ATOM 235 CG HIS A 852 -1.142 28.913 -4.624 1.00 0.00 C ATOM 236 ND1 HIS A 852 -2.327 29.596 -4.780 1.00 0.00 N ATOM 237 CD2 HIS A 852 -0.127 29.802 -4.563 1.00 0.00 C ATOM 238 CE1 HIS A 852 -2.006 30.880 -4.810 1.00 0.00 C ATOM 239 NE2 HIS A 852 -0.685 31.053 -4.685 1.00 0.00 N ATOM 0 H HIS A 852 -2.025 27.239 -6.890 1.00 0.00 H new ATOM 0 HA HIS A 852 0.618 27.186 -5.752 1.00 0.00 H new ATOM 0 HB2 HIS A 852 -2.125 27.036 -4.487 1.00 0.00 H new ATOM 0 HB3 HIS A 852 -0.615 27.127 -3.603 1.00 0.00 H new ATOM 0 HD2 HIS A 852 0.922 29.574 -4.442 1.00 0.00 H new ATOM 0 HE1 HIS A 852 -2.718 31.684 -4.921 1.00 0.00 H new ATOM 0 HE2 HIS A 852 -0.187 31.943 -4.681 1.00 0.00 H new ATOM 247 N MET A 853 0.924 24.762 -5.879 1.00 0.00 N ATOM 248 CA MET A 853 1.281 23.366 -5.764 1.00 0.00 C ATOM 249 C MET A 853 2.276 23.218 -4.629 1.00 0.00 C ATOM 250 O MET A 853 1.979 22.606 -3.613 1.00 0.00 O ATOM 251 CB MET A 853 1.909 22.894 -7.084 1.00 0.00 C ATOM 252 CG MET A 853 0.985 23.011 -8.284 1.00 0.00 C ATOM 253 SD MET A 853 1.825 22.738 -9.865 1.00 0.00 S ATOM 254 CE MET A 853 2.493 21.093 -9.644 1.00 0.00 C ATOM 0 H MET A 853 1.657 25.335 -6.297 1.00 0.00 H new ATOM 0 HA MET A 853 0.398 22.761 -5.558 1.00 0.00 H new ATOM 0 HB2 MET A 853 2.811 23.476 -7.274 1.00 0.00 H new ATOM 0 HB3 MET A 853 2.218 21.854 -6.976 1.00 0.00 H new ATOM 0 HG2 MET A 853 0.175 22.289 -8.182 1.00 0.00 H new ATOM 0 HG3 MET A 853 0.530 24.002 -8.288 1.00 0.00 H new ATOM 0 HE1 MET A 853 2.451 20.553 -10.590 1.00 0.00 H new ATOM 0 HE2 MET A 853 3.529 21.163 -9.311 1.00 0.00 H new ATOM 0 HE3 MET A 853 1.907 20.560 -8.896 1.00 0.00 H new ATOM 264 N ALA A 854 3.441 23.838 -4.819 1.00 0.00 N ATOM 265 CA ALA A 854 4.532 23.903 -3.844 1.00 0.00 C ATOM 266 C ALA A 854 4.972 22.572 -3.298 1.00 0.00 C ATOM 267 O ALA A 854 5.769 21.848 -3.896 1.00 0.00 O ATOM 268 CB ALA A 854 4.191 24.833 -2.691 1.00 0.00 C ATOM 0 H ALA A 854 3.660 24.327 -5.687 1.00 0.00 H new ATOM 0 HA ALA A 854 5.375 24.298 -4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 854 5.022 24.858 -1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 854 4.010 25.837 -3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 854 3.296 24.472 -2.184 1.00 0.00 H new ATOM 274 N MET A 855 4.431 22.292 -2.176 1.00 0.00 N ATOM 275 CA MET A 855 4.707 21.183 -1.353 1.00 0.00 C ATOM 276 C MET A 855 3.411 20.896 -0.656 1.00 0.00 C ATOM 277 O MET A 855 2.542 21.792 -0.580 1.00 0.00 O ATOM 278 CB MET A 855 5.764 21.558 -0.290 1.00 0.00 C ATOM 279 CG MET A 855 7.113 22.022 -0.835 1.00 0.00 C ATOM 280 SD MET A 855 8.210 22.674 0.449 1.00 0.00 S ATOM 281 CE MET A 855 7.267 24.087 1.041 1.00 0.00 C ATOM 0 H MET A 855 3.713 22.894 -1.772 1.00 0.00 H new ATOM 0 HA MET A 855 5.087 20.337 -1.926 1.00 0.00 H new ATOM 0 HB2 MET A 855 5.355 22.349 0.339 1.00 0.00 H new ATOM 0 HB3 MET A 855 5.930 20.693 0.352 1.00 0.00 H new ATOM 0 HG2 MET A 855 7.604 21.186 -1.334 1.00 0.00 H new ATOM 0 HG3 MET A 855 6.948 22.791 -1.589 1.00 0.00 H new ATOM 0 HE1 MET A 855 7.939 24.796 1.525 1.00 0.00 H new ATOM 0 HE2 MET A 855 6.773 24.573 0.200 1.00 0.00 H new ATOM 0 HE3 MET A 855 6.517 23.750 1.757 1.00 0.00 H new ATOM 291 N ALA A 856 3.304 19.719 -0.149 1.00 0.00 N ATOM 292 CA ALA A 856 2.117 19.191 0.540 1.00 0.00 C ATOM 293 C ALA A 856 0.997 18.966 -0.454 1.00 0.00 C ATOM 294 O ALA A 856 0.200 19.854 -0.763 1.00 0.00 O ATOM 295 CB ALA A 856 1.678 20.038 1.739 1.00 0.00 C ATOM 0 H ALA A 856 4.066 19.042 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 856 2.393 18.229 0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 856 0.797 19.589 2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 856 2.486 20.081 2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 856 1.438 21.047 1.403 1.00 0.00 H new ATOM 301 N TYR A 857 0.980 17.784 -0.975 1.00 0.00 N ATOM 302 CA TYR A 857 0.099 17.392 -2.037 1.00 0.00 C ATOM 303 C TYR A 857 -0.999 16.458 -1.579 1.00 0.00 C ATOM 304 O TYR A 857 -1.698 15.861 -2.391 1.00 0.00 O ATOM 305 CB TYR A 857 0.921 16.730 -3.092 1.00 0.00 C ATOM 306 CG TYR A 857 1.730 17.691 -3.948 1.00 0.00 C ATOM 307 CD1 TYR A 857 1.179 18.260 -5.089 1.00 0.00 C ATOM 308 CD2 TYR A 857 3.033 18.037 -3.613 1.00 0.00 C ATOM 309 CE1 TYR A 857 1.896 19.139 -5.870 1.00 0.00 C ATOM 310 CE2 TYR A 857 3.760 18.920 -4.391 1.00 0.00 C ATOM 311 CZ TYR A 857 3.182 19.467 -5.520 1.00 0.00 C ATOM 312 OH TYR A 857 3.888 20.342 -6.304 1.00 0.00 O ATOM 0 H TYR A 857 1.599 17.035 -0.666 1.00 0.00 H new ATOM 0 HA TYR A 857 -0.398 18.284 -2.418 1.00 0.00 H new ATOM 0 HB2 TYR A 857 1.602 16.024 -2.616 1.00 0.00 H new ATOM 0 HB3 TYR A 857 0.263 16.151 -3.739 1.00 0.00 H new ATOM 0 HD1 TYR A 857 0.167 18.008 -5.370 1.00 0.00 H new ATOM 0 HD2 TYR A 857 3.486 17.610 -2.731 1.00 0.00 H new ATOM 0 HE1 TYR A 857 1.448 19.568 -6.754 1.00 0.00 H new ATOM 0 HE2 TYR A 857 4.772 19.180 -4.118 1.00 0.00 H new ATOM 0 HH TYR A 857 4.782 20.474 -5.924 1.00 0.00 H new ATOM 322 N VAL A 858 -1.141 16.322 -0.305 1.00 0.00 N ATOM 323 CA VAL A 858 -2.190 15.491 0.240 1.00 0.00 C ATOM 324 C VAL A 858 -3.521 16.254 0.346 1.00 0.00 C ATOM 325 O VAL A 858 -3.628 17.266 1.046 1.00 0.00 O ATOM 326 CB VAL A 858 -1.798 14.831 1.604 1.00 0.00 C ATOM 327 CG1 VAL A 858 -1.367 15.860 2.641 1.00 0.00 C ATOM 328 CG2 VAL A 858 -2.940 13.972 2.137 1.00 0.00 C ATOM 0 H VAL A 858 -0.547 16.773 0.391 1.00 0.00 H new ATOM 0 HA VAL A 858 -2.329 14.674 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 858 -0.938 14.190 1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 858 -1.105 15.353 3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 858 -0.501 16.409 2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 858 -2.186 16.555 2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 858 -2.646 13.523 3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 858 -3.823 14.593 2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 858 -3.169 13.185 1.419 1.00 0.00 H new ATOM 338 N ILE A 859 -4.497 15.793 -0.389 1.00 0.00 N ATOM 339 CA ILE A 859 -5.844 16.344 -0.357 1.00 0.00 C ATOM 340 C ILE A 859 -6.816 15.226 -0.005 1.00 0.00 C ATOM 341 O ILE A 859 -6.415 14.083 0.061 1.00 0.00 O ATOM 342 CB ILE A 859 -6.253 17.003 -1.711 1.00 0.00 C ATOM 343 CG1 ILE A 859 -6.140 15.993 -2.872 1.00 0.00 C ATOM 344 CG2 ILE A 859 -5.415 18.257 -1.976 1.00 0.00 C ATOM 345 CD1 ILE A 859 -6.546 16.546 -4.227 1.00 0.00 C ATOM 0 H ILE A 859 -4.387 15.014 -1.039 1.00 0.00 H new ATOM 0 HA ILE A 859 -5.872 17.132 0.395 1.00 0.00 H new ATOM 0 HB ILE A 859 -7.297 17.308 -1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 859 -5.111 15.640 -2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 859 -6.762 15.127 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 859 -5.716 18.702 -2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 859 -5.572 18.976 -1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 859 -4.360 17.987 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 859 -6.436 15.770 -4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 859 -7.585 16.872 -4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 859 -5.908 17.393 -4.480 1.00 0.00 H new ATOM 357 N ARG A 860 -8.049 15.541 0.264 1.00 0.00 N ATOM 358 CA ARG A 860 -9.032 14.514 0.568 1.00 0.00 C ATOM 359 C ARG A 860 -10.004 14.341 -0.574 1.00 0.00 C ATOM 360 O ARG A 860 -10.234 15.274 -1.346 1.00 0.00 O ATOM 361 CB ARG A 860 -9.816 14.836 1.831 1.00 0.00 C ATOM 362 CG ARG A 860 -9.022 14.800 3.109 1.00 0.00 C ATOM 363 CD ARG A 860 -9.914 15.139 4.290 1.00 0.00 C ATOM 364 NE ARG A 860 -9.185 15.213 5.565 1.00 0.00 N ATOM 365 CZ ARG A 860 -9.751 15.555 6.739 1.00 0.00 C ATOM 366 NH1 ARG A 860 -11.049 15.812 6.801 1.00 0.00 N ATOM 367 NH2 ARG A 860 -9.016 15.631 7.839 1.00 0.00 N ATOM 0 H ARG A 860 -8.408 16.495 0.282 1.00 0.00 H new ATOM 0 HA ARG A 860 -8.476 13.589 0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 860 -10.255 15.828 1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 860 -10.642 14.130 1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 860 -8.585 13.811 3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 860 -8.196 15.509 3.053 1.00 0.00 H new ATOM 0 HD2 ARG A 860 -10.405 16.094 4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 860 -10.699 14.388 4.371 1.00 0.00 H new ATOM 0 HE ARG A 860 -8.189 14.992 5.560 1.00 0.00 H new ATOM 0 HH11 ARG A 860 -11.622 15.751 5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 860 -11.476 16.071 7.691 1.00 0.00 H new ATOM 0 HH21 ARG A 860 -8.017 15.430 7.800 1.00 0.00 H new ATOM 0 HH22 ARG A 860 -9.450 15.890 8.725 1.00 0.00 H new ATOM 381 N ASP A 861 -10.549 13.155 -0.699 1.00 0.00 N ATOM 382 CA ASP A 861 -11.586 12.902 -1.676 1.00 0.00 C ATOM 383 C ASP A 861 -12.954 13.030 -1.010 1.00 0.00 C ATOM 384 O ASP A 861 -13.053 13.446 0.157 1.00 0.00 O ATOM 385 CB ASP A 861 -11.432 11.514 -2.399 1.00 0.00 C ATOM 386 CG ASP A 861 -11.673 10.252 -1.550 1.00 0.00 C ATOM 387 OD1 ASP A 861 -12.141 10.340 -0.401 1.00 0.00 O ATOM 388 OD2 ASP A 861 -11.407 9.137 -2.044 1.00 0.00 O ATOM 0 H ASP A 861 -10.292 12.345 -0.135 1.00 0.00 H new ATOM 0 HA ASP A 861 -11.488 13.653 -2.460 1.00 0.00 H new ATOM 0 HB2 ASP A 861 -12.123 11.492 -3.241 1.00 0.00 H new ATOM 0 HB3 ASP A 861 -10.425 11.457 -2.812 1.00 0.00 H new ATOM 393 N GLU A 862 -13.980 12.674 -1.743 1.00 0.00 N ATOM 394 CA GLU A 862 -15.373 12.728 -1.301 1.00 0.00 C ATOM 395 C GLU A 862 -15.649 11.877 -0.045 1.00 0.00 C ATOM 396 O GLU A 862 -16.565 12.171 0.727 1.00 0.00 O ATOM 397 CB GLU A 862 -16.267 12.286 -2.456 1.00 0.00 C ATOM 398 CG GLU A 862 -15.911 10.913 -3.004 1.00 0.00 C ATOM 399 CD GLU A 862 -16.689 10.557 -4.230 1.00 0.00 C ATOM 400 OE1 GLU A 862 -17.826 10.134 -4.115 1.00 0.00 O ATOM 401 OE2 GLU A 862 -16.150 10.707 -5.352 1.00 0.00 O ATOM 0 H GLU A 862 -13.877 12.326 -2.696 1.00 0.00 H new ATOM 0 HA GLU A 862 -15.593 13.756 -1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -17.304 12.277 -2.120 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -16.198 13.019 -3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -14.846 10.884 -3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -16.091 10.162 -2.235 1.00 0.00 H new ATOM 408 N TRP A 863 -14.872 10.839 0.157 1.00 0.00 N ATOM 409 CA TRP A 863 -15.053 9.972 1.286 1.00 0.00 C ATOM 410 C TRP A 863 -14.119 10.350 2.419 1.00 0.00 C ATOM 411 O TRP A 863 -14.223 9.813 3.530 1.00 0.00 O ATOM 412 CB TRP A 863 -14.846 8.522 0.879 1.00 0.00 C ATOM 413 CG TRP A 863 -15.736 8.112 -0.234 1.00 0.00 C ATOM 414 CD1 TRP A 863 -17.062 8.261 -0.272 1.00 0.00 C ATOM 415 CD2 TRP A 863 -15.362 7.489 -1.458 1.00 0.00 C ATOM 416 NE1 TRP A 863 -17.573 7.769 -1.446 1.00 0.00 N ATOM 417 CE2 TRP A 863 -16.541 7.285 -2.197 1.00 0.00 C ATOM 418 CE3 TRP A 863 -14.152 7.090 -1.997 1.00 0.00 C ATOM 419 CZ2 TRP A 863 -16.538 6.692 -3.449 1.00 0.00 C ATOM 420 CZ3 TRP A 863 -14.146 6.500 -3.244 1.00 0.00 C ATOM 421 CH2 TRP A 863 -15.333 6.307 -3.956 1.00 0.00 C ATOM 0 H TRP A 863 -14.101 10.577 -0.457 1.00 0.00 H new ATOM 0 HA TRP A 863 -16.076 10.089 1.644 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -13.807 8.376 0.582 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -15.025 7.877 1.739 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -17.652 8.708 0.514 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -18.558 7.765 -1.713 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -13.231 7.237 -1.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -17.454 6.541 -4.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -13.209 6.182 -3.677 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -15.294 5.842 -4.930 1.00 0.00 H new ATOM 432 N GLY A 864 -13.206 11.260 2.144 1.00 0.00 N ATOM 433 CA GLY A 864 -12.292 11.708 3.148 1.00 0.00 C ATOM 434 C GLY A 864 -10.981 10.967 3.089 1.00 0.00 C ATOM 435 O GLY A 864 -10.202 10.991 4.048 1.00 0.00 O ATOM 0 H GLY A 864 -13.086 11.697 1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 864 -12.111 12.776 3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 864 -12.740 11.574 4.132 1.00 0.00 H new ATOM 439 N ASN A 865 -10.722 10.304 1.973 1.00 0.00 N ATOM 440 CA ASN A 865 -9.471 9.571 1.819 1.00 0.00 C ATOM 441 C ASN A 865 -8.406 10.527 1.427 1.00 0.00 C ATOM 442 O ASN A 865 -8.672 11.487 0.706 1.00 0.00 O ATOM 443 CB ASN A 865 -9.539 8.469 0.751 1.00 0.00 C ATOM 444 CG ASN A 865 -10.564 7.405 1.023 1.00 0.00 C ATOM 445 OD1 ASN A 865 -11.719 7.550 0.441 1.00 0.00 O flip ATOM 446 ND2 ASN A 865 -10.295 6.419 1.725 1.00 0.00 N flip ATOM 0 H ASN A 865 -11.349 10.257 1.170 1.00 0.00 H new ATOM 0 HA ASN A 865 -9.264 9.090 2.775 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -9.756 8.928 -0.214 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -8.559 8.000 0.668 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -9.378 6.341 2.165 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -10.991 5.686 1.863 1.00 0.00 H new ATOM 453 N GLN A 866 -7.226 10.290 1.891 1.00 0.00 N ATOM 454 CA GLN A 866 -6.120 11.130 1.576 1.00 0.00 C ATOM 455 C GLN A 866 -5.554 10.756 0.235 1.00 0.00 C ATOM 456 O GLN A 866 -5.193 9.602 -0.022 1.00 0.00 O ATOM 457 CB GLN A 866 -5.063 11.061 2.648 1.00 0.00 C ATOM 458 CG GLN A 866 -5.504 11.634 3.966 1.00 0.00 C ATOM 459 CD GLN A 866 -4.452 11.482 5.031 1.00 0.00 C ATOM 460 OE1 GLN A 866 -3.611 12.463 5.171 1.00 0.00 O flip ATOM 461 NE2 GLN A 866 -4.410 10.484 5.733 1.00 0.00 N flip ATOM 0 H GLN A 866 -7.000 9.505 2.502 1.00 0.00 H new ATOM 0 HA GLN A 866 -6.471 12.161 1.529 1.00 0.00 H new ATOM 0 HB2 GLN A 866 -4.772 10.021 2.793 1.00 0.00 H new ATOM 0 HB3 GLN A 866 -4.176 11.596 2.307 1.00 0.00 H new ATOM 0 HG2 GLN A 866 -5.741 12.690 3.840 1.00 0.00 H new ATOM 0 HG3 GLN A 866 -6.419 11.138 4.288 1.00 0.00 H new ATOM 0 HE21 GLN A 866 -5.087 9.734 5.594 1.00 0.00 H new ATOM 0 HE22 GLN A 866 -3.698 10.400 6.458 1.00 0.00 H new ATOM 470 N ILE A 867 -5.531 11.708 -0.613 1.00 0.00 N ATOM 471 CA ILE A 867 -5.050 11.556 -1.933 1.00 0.00 C ATOM 472 C ILE A 867 -3.773 12.350 -2.035 1.00 0.00 C ATOM 473 O ILE A 867 -3.796 13.574 -1.967 1.00 0.00 O ATOM 474 CB ILE A 867 -6.062 12.114 -2.973 1.00 0.00 C ATOM 475 CG1 ILE A 867 -7.498 11.573 -2.733 1.00 0.00 C ATOM 476 CG2 ILE A 867 -5.595 11.817 -4.397 1.00 0.00 C ATOM 477 CD1 ILE A 867 -7.626 10.061 -2.712 1.00 0.00 C ATOM 0 H ILE A 867 -5.858 12.651 -0.402 1.00 0.00 H new ATOM 0 HA ILE A 867 -4.897 10.498 -2.143 1.00 0.00 H new ATOM 0 HB ILE A 867 -6.100 13.196 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 867 -7.862 11.965 -1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 867 -8.151 11.966 -3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 867 -6.318 12.216 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 867 -4.624 12.283 -4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 867 -5.509 10.739 -4.534 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -8.666 9.786 -2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -7.299 9.655 -3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -7.005 9.654 -1.914 1.00 0.00 H new ATOM 489 N TRP A 868 -2.682 11.666 -2.114 1.00 0.00 N ATOM 490 CA TRP A 868 -1.406 12.308 -2.279 1.00 0.00 C ATOM 491 C TRP A 868 -1.128 12.486 -3.747 1.00 0.00 C ATOM 492 O TRP A 868 -1.470 11.616 -4.555 1.00 0.00 O ATOM 493 CB TRP A 868 -0.281 11.488 -1.640 1.00 0.00 C ATOM 494 CG TRP A 868 -0.258 11.507 -0.141 1.00 0.00 C ATOM 495 CD1 TRP A 868 0.480 12.340 0.637 1.00 0.00 C ATOM 496 CD2 TRP A 868 -0.986 10.657 0.764 1.00 0.00 C ATOM 497 NE1 TRP A 868 0.266 12.062 1.964 1.00 0.00 N ATOM 498 CE2 TRP A 868 -0.627 11.038 2.071 1.00 0.00 C ATOM 499 CE3 TRP A 868 -1.902 9.617 0.599 1.00 0.00 C ATOM 500 CZ2 TRP A 868 -1.145 10.419 3.201 1.00 0.00 C ATOM 501 CZ3 TRP A 868 -2.419 9.002 1.726 1.00 0.00 C ATOM 502 CH2 TRP A 868 -2.038 9.406 3.010 1.00 0.00 C ATOM 0 H TRP A 868 -2.641 10.648 -2.067 1.00 0.00 H new ATOM 0 HA TRP A 868 -1.442 13.277 -1.781 1.00 0.00 H new ATOM 0 HB2 TRP A 868 -0.370 10.454 -1.974 1.00 0.00 H new ATOM 0 HB3 TRP A 868 0.675 11.861 -2.008 1.00 0.00 H new ATOM 0 HD1 TRP A 868 1.140 13.110 0.265 1.00 0.00 H new ATOM 0 HE1 TRP A 868 0.706 12.546 2.747 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -2.201 9.298 -0.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 -0.852 10.728 4.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -3.129 8.196 1.612 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -2.460 8.905 3.869 1.00 0.00 H new ATOM 513 N ILE A 869 -0.599 13.614 -4.099 1.00 0.00 N ATOM 514 CA ILE A 869 -0.186 13.869 -5.454 1.00 0.00 C ATOM 515 C ILE A 869 1.340 13.765 -5.477 1.00 0.00 C ATOM 516 O ILE A 869 2.005 14.332 -4.627 1.00 0.00 O ATOM 517 CB ILE A 869 -0.607 15.302 -5.939 1.00 0.00 C ATOM 518 CG1 ILE A 869 -2.080 15.634 -5.609 1.00 0.00 C ATOM 519 CG2 ILE A 869 -0.343 15.490 -7.418 1.00 0.00 C ATOM 520 CD1 ILE A 869 -3.108 14.700 -6.213 1.00 0.00 C ATOM 0 H ILE A 869 -0.438 14.391 -3.458 1.00 0.00 H new ATOM 0 HA ILE A 869 -0.663 13.150 -6.120 1.00 0.00 H new ATOM 0 HB ILE A 869 0.017 16.003 -5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 869 -2.202 15.629 -4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 869 -2.291 16.648 -5.949 1.00 0.00 H new ATOM 0 HG21 ILE A 869 -0.647 16.493 -7.717 1.00 0.00 H new ATOM 0 HG22 ILE A 869 0.720 15.358 -7.617 1.00 0.00 H new ATOM 0 HG23 ILE A 869 -0.912 14.754 -7.986 1.00 0.00 H new ATOM 0 HD11 ILE A 869 -4.108 15.021 -5.920 1.00 0.00 H new ATOM 0 HD12 ILE A 869 -3.024 14.720 -7.300 1.00 0.00 H new ATOM 0 HD13 ILE A 869 -2.933 13.686 -5.854 1.00 0.00 H new ATOM 532 N CYS A 870 1.867 13.012 -6.397 1.00 0.00 N ATOM 533 CA CYS A 870 3.292 12.856 -6.540 1.00 0.00 C ATOM 534 C CYS A 870 3.882 14.151 -7.076 1.00 0.00 C ATOM 535 O CYS A 870 3.417 14.655 -8.095 1.00 0.00 O ATOM 536 CB CYS A 870 3.566 11.715 -7.535 1.00 0.00 C ATOM 537 SG CYS A 870 5.311 11.356 -7.933 1.00 0.00 S ATOM 0 H CYS A 870 1.320 12.483 -7.076 1.00 0.00 H new ATOM 0 HA CYS A 870 3.745 12.622 -5.576 1.00 0.00 H new ATOM 0 HB2 CYS A 870 3.116 10.805 -7.138 1.00 0.00 H new ATOM 0 HB3 CYS A 870 3.048 11.947 -8.466 1.00 0.00 H new ATOM 0 HG CYS A 870 5.384 10.239 -8.593 1.00 0.00 H new ATOM 542 N PRO A 871 4.884 14.729 -6.415 1.00 0.00 N ATOM 543 CA PRO A 871 5.562 15.907 -6.923 1.00 0.00 C ATOM 544 C PRO A 871 6.499 15.554 -8.087 1.00 0.00 C ATOM 545 O PRO A 871 7.113 16.440 -8.702 1.00 0.00 O ATOM 546 CB PRO A 871 6.358 16.438 -5.717 1.00 0.00 C ATOM 547 CG PRO A 871 5.881 15.640 -4.545 1.00 0.00 C ATOM 548 CD PRO A 871 5.396 14.338 -5.101 1.00 0.00 C ATOM 0 HA PRO A 871 4.864 16.644 -7.320 1.00 0.00 H new ATOM 0 HB2 PRO A 871 7.430 16.313 -5.868 1.00 0.00 H new ATOM 0 HB3 PRO A 871 6.180 17.503 -5.566 1.00 0.00 H new ATOM 0 HG2 PRO A 871 6.686 15.482 -3.827 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.082 16.161 -4.018 1.00 0.00 H new ATOM 0 HD2 PRO A 871 6.199 13.605 -5.180 1.00 0.00 H new ATOM 0 HD3 PRO A 871 4.619 13.894 -4.478 1.00 0.00 H new ATOM 556 N GLY A 872 6.605 14.268 -8.384 1.00 0.00 N ATOM 557 CA GLY A 872 7.423 13.826 -9.467 1.00 0.00 C ATOM 558 C GLY A 872 6.763 14.103 -10.797 1.00 0.00 C ATOM 559 O GLY A 872 7.276 14.885 -11.603 1.00 0.00 O ATOM 0 H GLY A 872 6.127 13.521 -7.879 1.00 0.00 H new ATOM 0 HA2 GLY A 872 8.389 14.329 -9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 872 7.615 12.758 -9.369 1.00 0.00 H new ATOM 563 N CYS A 873 5.603 13.519 -10.998 1.00 0.00 N ATOM 564 CA CYS A 873 4.879 13.638 -12.255 1.00 0.00 C ATOM 565 C CYS A 873 3.688 14.592 -12.135 1.00 0.00 C ATOM 566 O CYS A 873 3.198 15.142 -13.142 1.00 0.00 O ATOM 567 CB CYS A 873 4.394 12.237 -12.648 1.00 0.00 C ATOM 568 SG CYS A 873 3.609 11.321 -11.284 1.00 0.00 S ATOM 0 H CYS A 873 5.130 12.947 -10.298 1.00 0.00 H new ATOM 0 HA CYS A 873 5.541 14.051 -13.016 1.00 0.00 H new ATOM 0 HB2 CYS A 873 3.683 12.326 -13.470 1.00 0.00 H new ATOM 0 HB3 CYS A 873 5.241 11.661 -13.020 1.00 0.00 H new ATOM 573 N ASN A 874 3.265 14.789 -10.902 1.00 0.00 N ATOM 574 CA ASN A 874 2.056 15.515 -10.537 1.00 0.00 C ATOM 575 C ASN A 874 0.852 14.718 -10.976 1.00 0.00 C ATOM 576 O ASN A 874 0.199 14.991 -11.984 1.00 0.00 O ATOM 577 CB ASN A 874 2.032 16.991 -10.982 1.00 0.00 C ATOM 578 CG ASN A 874 0.799 17.745 -10.485 1.00 0.00 C ATOM 579 OD1 ASN A 874 0.867 18.252 -9.277 1.00 0.00 O flip ATOM 580 ND2 ASN A 874 -0.209 17.858 -11.181 1.00 0.00 N flip ATOM 0 H ASN A 874 3.772 14.435 -10.091 1.00 0.00 H new ATOM 0 HA ASN A 874 2.034 15.606 -9.451 1.00 0.00 H new ATOM 0 HB2 ASN A 874 2.929 17.490 -10.615 1.00 0.00 H new ATOM 0 HB3 ASN A 874 2.065 17.037 -12.071 1.00 0.00 H new ATOM 0 HD21 ASN A 874 -0.231 17.452 -12.117 1.00 0.00 H new ATOM 0 HD22 ASN A 874 -1.023 18.357 -10.822 1.00 0.00 H new ATOM 587 N LYS A 875 0.669 13.643 -10.261 1.00 0.00 N ATOM 588 CA LYS A 875 -0.338 12.678 -10.483 1.00 0.00 C ATOM 589 C LYS A 875 -0.755 12.161 -9.122 1.00 0.00 C ATOM 590 O LYS A 875 0.085 12.073 -8.231 1.00 0.00 O ATOM 591 CB LYS A 875 0.305 11.570 -11.282 1.00 0.00 C ATOM 592 CG LYS A 875 -0.497 10.325 -11.466 1.00 0.00 C ATOM 593 CD LYS A 875 0.346 9.145 -11.947 1.00 0.00 C ATOM 594 CE LYS A 875 0.843 9.263 -13.390 1.00 0.00 C ATOM 595 NZ LYS A 875 1.809 10.373 -13.627 1.00 0.00 N ATOM 0 H LYS A 875 1.262 13.416 -9.463 1.00 0.00 H new ATOM 0 HA LYS A 875 -1.206 13.072 -11.012 1.00 0.00 H new ATOM 0 HB2 LYS A 875 0.556 11.962 -12.268 1.00 0.00 H new ATOM 0 HB3 LYS A 875 1.244 11.302 -10.798 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -0.975 10.063 -10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -1.294 10.514 -12.186 1.00 0.00 H new ATOM 0 HD2 LYS A 875 1.207 9.038 -11.288 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -0.243 8.233 -11.853 1.00 0.00 H new ATOM 0 HE2 LYS A 875 1.314 8.322 -13.676 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -0.017 9.401 -14.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 2.509 10.079 -14.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 1.298 11.211 -13.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 2.296 10.605 -12.738 1.00 0.00 H new ATOM 609 N PRO A 876 -2.016 11.832 -8.935 1.00 0.00 N ATOM 610 CA PRO A 876 -2.511 11.353 -7.661 1.00 0.00 C ATOM 611 C PRO A 876 -2.136 9.898 -7.382 1.00 0.00 C ATOM 612 O PRO A 876 -1.623 9.180 -8.251 1.00 0.00 O ATOM 613 CB PRO A 876 -4.027 11.509 -7.785 1.00 0.00 C ATOM 614 CG PRO A 876 -4.308 11.409 -9.241 1.00 0.00 C ATOM 615 CD PRO A 876 -3.068 11.884 -9.961 1.00 0.00 C ATOM 0 HA PRO A 876 -2.079 11.908 -6.829 1.00 0.00 H new ATOM 0 HB2 PRO A 876 -4.550 10.732 -7.228 1.00 0.00 H new ATOM 0 HB3 PRO A 876 -4.359 12.467 -7.384 1.00 0.00 H new ATOM 0 HG2 PRO A 876 -4.546 10.382 -9.519 1.00 0.00 H new ATOM 0 HG3 PRO A 876 -5.169 12.020 -9.511 1.00 0.00 H new ATOM 0 HD2 PRO A 876 -2.829 11.243 -10.810 1.00 0.00 H new ATOM 0 HD3 PRO A 876 -3.195 12.894 -10.351 1.00 0.00 H new ATOM 623 N ASP A 877 -2.356 9.499 -6.161 1.00 0.00 N ATOM 624 CA ASP A 877 -2.114 8.145 -5.707 1.00 0.00 C ATOM 625 C ASP A 877 -3.175 7.189 -6.219 1.00 0.00 C ATOM 626 O ASP A 877 -4.364 7.431 -6.062 1.00 0.00 O ATOM 627 CB ASP A 877 -2.056 8.086 -4.175 1.00 0.00 C ATOM 628 CG ASP A 877 -2.192 6.671 -3.665 1.00 0.00 C ATOM 629 OD1 ASP A 877 -1.331 5.833 -3.957 1.00 0.00 O ATOM 630 OD2 ASP A 877 -3.249 6.352 -3.051 1.00 0.00 O ATOM 0 H ASP A 877 -2.717 10.115 -5.432 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.150 7.835 -6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -1.112 8.508 -3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -2.852 8.702 -3.757 1.00 0.00 H new ATOM 635 N ASP A 878 -2.732 6.090 -6.771 1.00 0.00 N ATOM 636 CA ASP A 878 -3.624 5.052 -7.324 1.00 0.00 C ATOM 637 C ASP A 878 -3.747 3.903 -6.343 1.00 0.00 C ATOM 638 O ASP A 878 -4.154 2.796 -6.707 1.00 0.00 O ATOM 639 CB ASP A 878 -3.065 4.473 -8.641 1.00 0.00 C ATOM 640 CG ASP A 878 -3.049 5.425 -9.806 1.00 0.00 C ATOM 641 OD1 ASP A 878 -4.094 5.553 -10.503 1.00 0.00 O ATOM 642 OD2 ASP A 878 -1.986 6.019 -10.095 1.00 0.00 O ATOM 0 H ASP A 878 -1.740 5.869 -6.860 1.00 0.00 H new ATOM 0 HA ASP A 878 -4.590 5.521 -7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -2.047 4.126 -8.463 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -3.657 3.600 -8.915 1.00 0.00 H new ATOM 647 N GLY A 879 -3.422 4.157 -5.104 1.00 0.00 N ATOM 648 CA GLY A 879 -3.348 3.100 -4.131 1.00 0.00 C ATOM 649 C GLY A 879 -2.045 2.422 -4.334 1.00 0.00 C ATOM 650 O GLY A 879 -1.906 1.211 -4.174 1.00 0.00 O ATOM 0 H GLY A 879 -3.204 5.086 -4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -3.423 3.500 -3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -4.173 2.399 -4.258 1.00 0.00 H new ATOM 654 N SER A 880 -1.093 3.235 -4.645 1.00 0.00 N ATOM 655 CA SER A 880 0.163 2.822 -5.134 1.00 0.00 C ATOM 656 C SER A 880 1.279 3.019 -4.135 1.00 0.00 C ATOM 657 O SER A 880 1.185 3.867 -3.245 1.00 0.00 O ATOM 658 CB SER A 880 0.438 3.595 -6.426 1.00 0.00 C ATOM 659 OG SER A 880 0.092 4.997 -6.288 1.00 0.00 O ATOM 0 H SER A 880 -1.181 4.248 -4.559 1.00 0.00 H new ATOM 0 HA SER A 880 0.131 1.749 -5.324 1.00 0.00 H new ATOM 0 HB2 SER A 880 1.492 3.503 -6.690 1.00 0.00 H new ATOM 0 HB3 SER A 880 -0.134 3.156 -7.243 1.00 0.00 H new ATOM 0 HG SER A 880 0.158 5.438 -7.161 1.00 0.00 H new ATOM 665 N PRO A 881 2.279 2.127 -4.185 1.00 0.00 N ATOM 666 CA PRO A 881 3.530 2.285 -3.452 1.00 0.00 C ATOM 667 C PRO A 881 4.151 3.658 -3.678 1.00 0.00 C ATOM 668 O PRO A 881 4.423 4.072 -4.821 1.00 0.00 O ATOM 669 CB PRO A 881 4.408 1.201 -4.051 1.00 0.00 C ATOM 670 CG PRO A 881 3.466 0.125 -4.420 1.00 0.00 C ATOM 671 CD PRO A 881 2.213 0.814 -4.867 1.00 0.00 C ATOM 0 HA PRO A 881 3.398 2.204 -2.373 1.00 0.00 H new ATOM 0 HB2 PRO A 881 4.953 1.567 -4.921 1.00 0.00 H new ATOM 0 HB3 PRO A 881 5.150 0.850 -3.334 1.00 0.00 H new ATOM 0 HG2 PRO A 881 3.875 -0.497 -5.216 1.00 0.00 H new ATOM 0 HG3 PRO A 881 3.270 -0.531 -3.572 1.00 0.00 H new ATOM 0 HD2 PRO A 881 2.181 0.926 -5.951 1.00 0.00 H new ATOM 0 HD3 PRO A 881 1.323 0.256 -4.578 1.00 0.00 H new ATOM 679 N MET A 882 4.336 4.368 -2.600 1.00 0.00 N ATOM 680 CA MET A 882 4.898 5.688 -2.637 1.00 0.00 C ATOM 681 C MET A 882 6.016 5.728 -1.637 1.00 0.00 C ATOM 682 O MET A 882 6.059 4.889 -0.710 1.00 0.00 O ATOM 683 CB MET A 882 3.844 6.755 -2.276 1.00 0.00 C ATOM 684 CG MET A 882 2.563 6.673 -3.087 1.00 0.00 C ATOM 685 SD MET A 882 1.388 7.988 -2.717 1.00 0.00 S ATOM 686 CE MET A 882 2.179 9.358 -3.547 1.00 0.00 C ATOM 0 H MET A 882 4.099 4.043 -1.663 1.00 0.00 H new ATOM 0 HA MET A 882 5.256 5.907 -3.643 1.00 0.00 H new ATOM 0 HB2 MET A 882 3.597 6.660 -1.219 1.00 0.00 H new ATOM 0 HB3 MET A 882 4.284 7.743 -2.413 1.00 0.00 H new ATOM 0 HG2 MET A 882 2.812 6.708 -4.148 1.00 0.00 H new ATOM 0 HG3 MET A 882 2.087 5.710 -2.902 1.00 0.00 H new ATOM 0 HE1 MET A 882 2.264 10.200 -2.860 1.00 0.00 H new ATOM 0 HE2 MET A 882 3.173 9.058 -3.878 1.00 0.00 H new ATOM 0 HE3 MET A 882 1.583 9.653 -4.411 1.00 0.00 H new ATOM 696 N ILE A 883 6.916 6.643 -1.807 1.00 0.00 N ATOM 697 CA ILE A 883 8.013 6.782 -0.904 1.00 0.00 C ATOM 698 C ILE A 883 8.120 8.230 -0.455 1.00 0.00 C ATOM 699 O ILE A 883 7.955 9.167 -1.254 1.00 0.00 O ATOM 700 CB ILE A 883 9.351 6.251 -1.516 1.00 0.00 C ATOM 701 CG1 ILE A 883 10.492 6.293 -0.491 1.00 0.00 C ATOM 702 CG2 ILE A 883 9.734 7.040 -2.767 1.00 0.00 C ATOM 703 CD1 ILE A 883 11.719 5.531 -0.936 1.00 0.00 C ATOM 0 H ILE A 883 6.911 7.314 -2.575 1.00 0.00 H new ATOM 0 HA ILE A 883 7.824 6.162 -0.028 1.00 0.00 H new ATOM 0 HB ILE A 883 9.187 5.211 -1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 883 10.765 7.331 -0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 883 10.139 5.880 0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 883 10.668 6.650 -3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 883 8.946 6.943 -3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 883 9.862 8.091 -2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 883 12.489 5.600 -0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 883 11.459 4.485 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 883 12.095 5.958 -1.865 1.00 0.00 H new ATOM 715 N GLY A 884 8.284 8.402 0.817 1.00 0.00 N ATOM 716 CA GLY A 884 8.424 9.698 1.374 1.00 0.00 C ATOM 717 C GLY A 884 9.869 10.089 1.433 1.00 0.00 C ATOM 718 O GLY A 884 10.689 9.341 1.991 1.00 0.00 O ATOM 0 H GLY A 884 8.324 7.642 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 884 7.870 10.420 0.774 1.00 0.00 H new ATOM 0 HA3 GLY A 884 7.994 9.719 2.375 1.00 0.00 H new ATOM 722 N CYS A 885 10.199 11.215 0.843 1.00 0.00 N ATOM 723 CA CYS A 885 11.542 11.746 0.905 1.00 0.00 C ATOM 724 C CYS A 885 11.797 12.140 2.337 1.00 0.00 C ATOM 725 O CYS A 885 10.935 12.753 2.970 1.00 0.00 O ATOM 726 CB CYS A 885 11.651 12.976 -0.021 1.00 0.00 C ATOM 727 SG CYS A 885 13.269 13.863 -0.047 1.00 0.00 S ATOM 0 H CYS A 885 9.546 11.788 0.308 1.00 0.00 H new ATOM 0 HA CYS A 885 12.276 11.010 0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 885 11.424 12.656 -1.038 1.00 0.00 H new ATOM 0 HB3 CYS A 885 10.879 13.688 0.269 1.00 0.00 H new ATOM 732 N ASP A 886 12.934 11.777 2.859 1.00 0.00 N ATOM 733 CA ASP A 886 13.249 12.090 4.230 1.00 0.00 C ATOM 734 C ASP A 886 13.643 13.533 4.405 1.00 0.00 C ATOM 735 O ASP A 886 13.840 14.002 5.527 1.00 0.00 O ATOM 736 CB ASP A 886 14.300 11.149 4.808 1.00 0.00 C ATOM 737 CG ASP A 886 13.773 9.758 5.043 1.00 0.00 C ATOM 738 OD1 ASP A 886 12.706 9.610 5.680 1.00 0.00 O ATOM 739 OD2 ASP A 886 14.406 8.775 4.591 1.00 0.00 O ATOM 0 H ASP A 886 13.660 11.264 2.359 1.00 0.00 H new ATOM 0 HA ASP A 886 12.333 11.935 4.800 1.00 0.00 H new ATOM 0 HB2 ASP A 886 15.150 11.100 4.128 1.00 0.00 H new ATOM 0 HB3 ASP A 886 14.668 11.557 5.749 1.00 0.00 H new ATOM 744 N ASP A 887 13.773 14.245 3.307 1.00 0.00 N ATOM 745 CA ASP A 887 14.049 15.656 3.386 1.00 0.00 C ATOM 746 C ASP A 887 12.788 16.421 3.104 1.00 0.00 C ATOM 747 O ASP A 887 12.323 17.179 3.955 1.00 0.00 O ATOM 748 CB ASP A 887 15.145 16.095 2.431 1.00 0.00 C ATOM 749 CG ASP A 887 15.521 17.546 2.619 1.00 0.00 C ATOM 750 OD1 ASP A 887 14.891 18.446 2.011 1.00 0.00 O ATOM 751 OD2 ASP A 887 16.478 17.822 3.363 1.00 0.00 O ATOM 0 H ASP A 887 13.693 13.872 2.361 1.00 0.00 H new ATOM 0 HA ASP A 887 14.407 15.866 4.394 1.00 0.00 H new ATOM 0 HB2 ASP A 887 16.026 15.471 2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 887 14.814 15.938 1.404 1.00 0.00 H new ATOM 756 N CYS A 888 12.208 16.195 1.916 1.00 0.00 N ATOM 757 CA CYS A 888 10.953 16.879 1.527 1.00 0.00 C ATOM 758 C CYS A 888 9.812 16.572 2.481 1.00 0.00 C ATOM 759 O CYS A 888 8.950 17.424 2.708 1.00 0.00 O ATOM 760 CB CYS A 888 10.495 16.489 0.111 1.00 0.00 C ATOM 761 SG CYS A 888 11.570 16.985 -1.249 1.00 0.00 S ATOM 0 H CYS A 888 12.577 15.555 1.213 1.00 0.00 H new ATOM 0 HA CYS A 888 11.187 17.943 1.561 1.00 0.00 H new ATOM 0 HB2 CYS A 888 10.379 15.406 0.076 1.00 0.00 H new ATOM 0 HB3 CYS A 888 9.509 16.921 -0.059 1.00 0.00 H new ATOM 766 N ASP A 889 9.798 15.324 2.987 1.00 0.00 N ATOM 767 CA ASP A 889 8.734 14.799 3.871 1.00 0.00 C ATOM 768 C ASP A 889 7.443 14.649 3.055 1.00 0.00 C ATOM 769 O ASP A 889 6.341 14.488 3.582 1.00 0.00 O ATOM 770 CB ASP A 889 8.542 15.707 5.118 1.00 0.00 C ATOM 771 CG ASP A 889 7.591 15.140 6.149 1.00 0.00 C ATOM 772 OD1 ASP A 889 7.976 14.213 6.870 1.00 0.00 O ATOM 773 OD2 ASP A 889 6.452 15.604 6.259 1.00 0.00 O ATOM 0 H ASP A 889 10.532 14.643 2.793 1.00 0.00 H new ATOM 0 HA ASP A 889 9.020 13.819 4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 889 9.512 15.874 5.586 1.00 0.00 H new ATOM 0 HB3 ASP A 889 8.173 16.680 4.793 1.00 0.00 H new ATOM 778 N ASP A 890 7.612 14.623 1.745 1.00 0.00 N ATOM 779 CA ASP A 890 6.490 14.570 0.844 1.00 0.00 C ATOM 780 C ASP A 890 6.486 13.222 0.163 1.00 0.00 C ATOM 781 O ASP A 890 7.503 12.499 0.210 1.00 0.00 O ATOM 782 CB ASP A 890 6.573 15.689 -0.183 1.00 0.00 C ATOM 783 CG ASP A 890 5.212 16.244 -0.535 1.00 0.00 C ATOM 784 OD1 ASP A 890 4.323 15.474 -0.911 1.00 0.00 O ATOM 785 OD2 ASP A 890 5.024 17.497 -0.422 1.00 0.00 O ATOM 0 H ASP A 890 8.523 14.638 1.286 1.00 0.00 H new ATOM 0 HA ASP A 890 5.563 14.704 1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 890 7.201 16.491 0.206 1.00 0.00 H new ATOM 0 HB3 ASP A 890 7.056 15.316 -1.086 1.00 0.00 H new ATOM 790 N TRP A 891 5.414 12.899 -0.507 1.00 0.00 N ATOM 791 CA TRP A 891 5.229 11.568 -1.043 1.00 0.00 C ATOM 792 C TRP A 891 5.320 11.505 -2.546 1.00 0.00 C ATOM 793 O TRP A 891 4.465 12.001 -3.255 1.00 0.00 O ATOM 794 CB TRP A 891 3.927 10.972 -0.550 1.00 0.00 C ATOM 795 CG TRP A 891 3.954 10.648 0.905 1.00 0.00 C ATOM 796 CD1 TRP A 891 3.597 11.448 1.946 1.00 0.00 C ATOM 797 CD2 TRP A 891 4.375 9.423 1.472 1.00 0.00 C ATOM 798 NE1 TRP A 891 3.768 10.776 3.129 1.00 0.00 N ATOM 799 CE2 TRP A 891 4.239 9.533 2.862 1.00 0.00 C ATOM 800 CE3 TRP A 891 4.847 8.243 0.934 1.00 0.00 C ATOM 801 CZ2 TRP A 891 4.559 8.498 3.719 1.00 0.00 C ATOM 802 CZ3 TRP A 891 5.166 7.218 1.777 1.00 0.00 C ATOM 803 CH2 TRP A 891 5.019 7.347 3.160 1.00 0.00 C ATOM 0 H TRP A 891 4.646 13.542 -0.699 1.00 0.00 H new ATOM 0 HA TRP A 891 6.060 10.969 -0.670 1.00 0.00 H new ATOM 0 HB2 TRP A 891 3.115 11.672 -0.747 1.00 0.00 H new ATOM 0 HB3 TRP A 891 3.711 10.066 -1.115 1.00 0.00 H new ATOM 0 HD1 TRP A 891 3.233 12.461 1.854 1.00 0.00 H new ATOM 0 HE1 TRP A 891 3.573 11.150 4.058 1.00 0.00 H new ATOM 0 HE3 TRP A 891 4.962 8.133 -0.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 4.448 8.599 4.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 5.539 6.291 1.367 1.00 0.00 H new ATOM 0 HH2 TRP A 891 5.276 6.515 3.799 1.00 0.00 H new ATOM 814 N TYR A 892 6.355 10.855 -3.009 1.00 0.00 N ATOM 815 CA TYR A 892 6.625 10.690 -4.419 1.00 0.00 C ATOM 816 C TYR A 892 6.320 9.243 -4.796 1.00 0.00 C ATOM 817 O TYR A 892 6.373 8.353 -3.930 1.00 0.00 O ATOM 818 CB TYR A 892 8.121 10.968 -4.684 1.00 0.00 C ATOM 819 CG TYR A 892 8.622 12.386 -4.371 1.00 0.00 C ATOM 820 CD1 TYR A 892 8.708 12.864 -3.060 1.00 0.00 C ATOM 821 CD2 TYR A 892 9.017 13.235 -5.393 1.00 0.00 C ATOM 822 CE1 TYR A 892 9.167 14.141 -2.790 1.00 0.00 C ATOM 823 CE2 TYR A 892 9.479 14.509 -5.126 1.00 0.00 C ATOM 824 CZ TYR A 892 9.552 14.956 -3.826 1.00 0.00 C ATOM 825 OH TYR A 892 9.994 16.239 -3.574 1.00 0.00 O ATOM 0 H TYR A 892 7.050 10.415 -2.406 1.00 0.00 H new ATOM 0 HA TYR A 892 6.014 11.377 -5.004 1.00 0.00 H new ATOM 0 HB2 TYR A 892 8.708 10.262 -4.097 1.00 0.00 H new ATOM 0 HB3 TYR A 892 8.326 10.758 -5.734 1.00 0.00 H new ATOM 0 HD1 TYR A 892 8.410 12.224 -2.242 1.00 0.00 H new ATOM 0 HD2 TYR A 892 8.963 12.894 -6.416 1.00 0.00 H new ATOM 0 HE1 TYR A 892 9.222 14.495 -1.771 1.00 0.00 H new ATOM 0 HE2 TYR A 892 9.783 15.154 -5.937 1.00 0.00 H new ATOM 0 HH TYR A 892 10.229 16.324 -2.626 1.00 0.00 H new ATOM 835 N HIS A 893 5.980 8.986 -6.045 1.00 0.00 N ATOM 836 CA HIS A 893 5.782 7.598 -6.481 1.00 0.00 C ATOM 837 C HIS A 893 7.130 6.944 -6.739 1.00 0.00 C ATOM 838 O HIS A 893 8.142 7.623 -6.913 1.00 0.00 O ATOM 839 CB HIS A 893 4.938 7.461 -7.760 1.00 0.00 C ATOM 840 CG HIS A 893 3.510 7.868 -7.675 1.00 0.00 C ATOM 841 ND1 HIS A 893 2.988 8.794 -8.550 1.00 0.00 N ATOM 842 CD2 HIS A 893 2.525 7.406 -6.875 1.00 0.00 C ATOM 843 CE1 HIS A 893 1.682 8.868 -8.250 1.00 0.00 C ATOM 844 NE2 HIS A 893 1.372 8.051 -7.251 1.00 0.00 N ATOM 0 H HIS A 893 5.836 9.693 -6.766 1.00 0.00 H new ATOM 0 HA HIS A 893 5.239 7.109 -5.672 1.00 0.00 H new ATOM 0 HB2 HIS A 893 5.412 8.052 -8.543 1.00 0.00 H new ATOM 0 HB3 HIS A 893 4.975 6.420 -8.080 1.00 0.00 H new ATOM 0 HD2 HIS A 893 2.625 6.671 -6.090 1.00 0.00 H new ATOM 0 HE1 HIS A 893 0.975 9.509 -8.756 1.00 0.00 H new ATOM 0 HE2 HIS A 893 0.448 7.925 -6.838 1.00 0.00 H new ATOM 852 N TRP A 894 7.126 5.641 -6.810 1.00 0.00 N ATOM 853 CA TRP A 894 8.334 4.859 -7.027 1.00 0.00 C ATOM 854 C TRP A 894 8.959 5.045 -8.427 1.00 0.00 C ATOM 855 O TRP A 894 10.128 5.439 -8.517 1.00 0.00 O ATOM 856 CB TRP A 894 8.110 3.378 -6.724 1.00 0.00 C ATOM 857 CG TRP A 894 7.976 3.051 -5.277 1.00 0.00 C ATOM 858 CD1 TRP A 894 7.956 3.918 -4.223 1.00 0.00 C ATOM 859 CD2 TRP A 894 7.869 1.747 -4.725 1.00 0.00 C ATOM 860 NE1 TRP A 894 7.837 3.224 -3.049 1.00 0.00 N ATOM 861 CE2 TRP A 894 7.777 1.888 -3.332 1.00 0.00 C ATOM 862 CE3 TRP A 894 7.836 0.466 -5.282 1.00 0.00 C ATOM 863 CZ2 TRP A 894 7.652 0.798 -2.490 1.00 0.00 C ATOM 864 CZ3 TRP A 894 7.712 -0.618 -4.445 1.00 0.00 C ATOM 865 CH2 TRP A 894 7.620 -0.449 -3.066 1.00 0.00 C ATOM 0 H TRP A 894 6.281 5.077 -6.719 1.00 0.00 H new ATOM 0 HA TRP A 894 9.060 5.254 -6.317 1.00 0.00 H new ATOM 0 HB2 TRP A 894 7.210 3.048 -7.242 1.00 0.00 H new ATOM 0 HB3 TRP A 894 8.942 2.807 -7.136 1.00 0.00 H new ATOM 0 HD1 TRP A 894 8.024 4.993 -4.303 1.00 0.00 H new ATOM 0 HE1 TRP A 894 7.799 3.636 -2.117 1.00 0.00 H new ATOM 0 HE3 TRP A 894 7.907 0.330 -6.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 7.582 0.922 -1.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 7.686 -1.614 -4.863 1.00 0.00 H new ATOM 0 HH2 TRP A 894 7.521 -1.319 -2.434 1.00 0.00 H new ATOM 876 N PRO A 895 8.208 4.801 -9.551 1.00 0.00 N ATOM 877 CA PRO A 895 8.776 4.901 -10.915 1.00 0.00 C ATOM 878 C PRO A 895 9.262 6.315 -11.251 1.00 0.00 C ATOM 879 O PRO A 895 10.102 6.512 -12.132 1.00 0.00 O ATOM 880 CB PRO A 895 7.600 4.509 -11.830 1.00 0.00 C ATOM 881 CG PRO A 895 6.383 4.753 -11.006 1.00 0.00 C ATOM 882 CD PRO A 895 6.777 4.405 -9.606 1.00 0.00 C ATOM 0 HA PRO A 895 9.654 4.265 -11.029 1.00 0.00 H new ATOM 0 HB2 PRO A 895 7.589 5.109 -12.740 1.00 0.00 H new ATOM 0 HB3 PRO A 895 7.668 3.465 -12.137 1.00 0.00 H new ATOM 0 HG2 PRO A 895 6.062 5.792 -11.077 1.00 0.00 H new ATOM 0 HG3 PRO A 895 5.549 4.138 -11.344 1.00 0.00 H new ATOM 0 HD2 PRO A 895 6.180 4.947 -8.873 1.00 0.00 H new ATOM 0 HD3 PRO A 895 6.645 3.342 -9.402 1.00 0.00 H new ATOM 890 N CYS A 896 8.741 7.269 -10.536 1.00 0.00 N ATOM 891 CA CYS A 896 9.052 8.645 -10.715 1.00 0.00 C ATOM 892 C CYS A 896 10.426 8.985 -10.139 1.00 0.00 C ATOM 893 O CYS A 896 11.199 9.727 -10.741 1.00 0.00 O ATOM 894 CB CYS A 896 7.960 9.397 -10.008 1.00 0.00 C ATOM 895 SG CYS A 896 6.334 8.726 -10.414 1.00 0.00 S ATOM 0 H CYS A 896 8.067 7.098 -9.790 1.00 0.00 H new ATOM 0 HA CYS A 896 9.102 8.910 -11.771 1.00 0.00 H new ATOM 0 HB2 CYS A 896 8.119 9.346 -8.931 1.00 0.00 H new ATOM 0 HB3 CYS A 896 8.001 10.450 -10.286 1.00 0.00 H new ATOM 900 N VAL A 897 10.734 8.422 -8.999 1.00 0.00 N ATOM 901 CA VAL A 897 11.993 8.721 -8.342 1.00 0.00 C ATOM 902 C VAL A 897 13.066 7.675 -8.596 1.00 0.00 C ATOM 903 O VAL A 897 14.239 7.900 -8.285 1.00 0.00 O ATOM 904 CB VAL A 897 11.824 8.935 -6.837 1.00 0.00 C ATOM 905 CG1 VAL A 897 10.993 10.176 -6.573 1.00 0.00 C ATOM 906 CG2 VAL A 897 11.195 7.718 -6.183 1.00 0.00 C ATOM 0 H VAL A 897 10.139 7.758 -8.504 1.00 0.00 H new ATOM 0 HA VAL A 897 12.330 9.655 -8.793 1.00 0.00 H new ATOM 0 HB VAL A 897 12.811 9.078 -6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 897 10.880 10.317 -5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 897 11.491 11.045 -7.003 1.00 0.00 H new ATOM 0 HG13 VAL A 897 10.010 10.059 -7.029 1.00 0.00 H new ATOM 0 HG21 VAL A 897 11.086 7.896 -5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 897 10.214 7.535 -6.622 1.00 0.00 H new ATOM 0 HG23 VAL A 897 11.833 6.849 -6.343 1.00 0.00 H new ATOM 916 N GLY A 898 12.677 6.545 -9.125 1.00 0.00 N ATOM 917 CA GLY A 898 13.637 5.517 -9.432 1.00 0.00 C ATOM 918 C GLY A 898 13.674 4.444 -8.381 1.00 0.00 C ATOM 919 O GLY A 898 14.727 3.882 -8.090 1.00 0.00 O ATOM 0 H GLY A 898 11.710 6.314 -9.351 1.00 0.00 H new ATOM 0 HA2 GLY A 898 13.393 5.071 -10.396 1.00 0.00 H new ATOM 0 HA3 GLY A 898 14.627 5.963 -9.528 1.00 0.00 H new ATOM 923 N ILE A 899 12.547 4.196 -7.775 1.00 0.00 N ATOM 924 CA ILE A 899 12.422 3.133 -6.801 1.00 0.00 C ATOM 925 C ILE A 899 11.652 1.970 -7.434 1.00 0.00 C ATOM 926 O ILE A 899 10.655 2.184 -8.126 1.00 0.00 O ATOM 927 CB ILE A 899 11.685 3.622 -5.509 1.00 0.00 C ATOM 928 CG1 ILE A 899 12.487 4.711 -4.781 1.00 0.00 C ATOM 929 CG2 ILE A 899 11.398 2.464 -4.555 1.00 0.00 C ATOM 930 CD1 ILE A 899 13.759 4.227 -4.131 1.00 0.00 C ATOM 0 H ILE A 899 11.687 4.720 -7.937 1.00 0.00 H new ATOM 0 HA ILE A 899 13.420 2.809 -6.507 1.00 0.00 H new ATOM 0 HB ILE A 899 10.735 4.048 -5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 899 12.735 5.498 -5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 899 11.853 5.161 -4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 899 10.886 2.840 -3.669 1.00 0.00 H new ATOM 0 HG22 ILE A 899 10.767 1.729 -5.054 1.00 0.00 H new ATOM 0 HG23 ILE A 899 12.336 1.995 -4.259 1.00 0.00 H new ATOM 0 HD11 ILE A 899 14.258 5.063 -3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 899 13.521 3.463 -3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 899 14.418 3.805 -4.890 1.00 0.00 H new ATOM 942 N MET A 900 12.147 0.767 -7.267 1.00 0.00 N ATOM 943 CA MET A 900 11.435 -0.414 -7.752 1.00 0.00 C ATOM 944 C MET A 900 11.055 -1.327 -6.595 1.00 0.00 C ATOM 945 O MET A 900 10.096 -2.111 -6.683 1.00 0.00 O ATOM 946 CB MET A 900 12.233 -1.175 -8.827 1.00 0.00 C ATOM 947 CG MET A 900 13.601 -1.679 -8.396 1.00 0.00 C ATOM 948 SD MET A 900 14.464 -2.537 -9.723 1.00 0.00 S ATOM 949 CE MET A 900 16.035 -2.882 -8.931 1.00 0.00 C ATOM 0 H MET A 900 13.034 0.570 -6.803 1.00 0.00 H new ATOM 0 HA MET A 900 10.519 -0.067 -8.230 1.00 0.00 H new ATOM 0 HB2 MET A 900 11.640 -2.027 -9.159 1.00 0.00 H new ATOM 0 HB3 MET A 900 12.362 -0.521 -9.689 1.00 0.00 H new ATOM 0 HG2 MET A 900 14.205 -0.837 -8.057 1.00 0.00 H new ATOM 0 HG3 MET A 900 13.486 -2.352 -7.546 1.00 0.00 H new ATOM 0 HE1 MET A 900 16.685 -3.413 -9.627 1.00 0.00 H new ATOM 0 HE2 MET A 900 16.508 -1.945 -8.636 1.00 0.00 H new ATOM 0 HE3 MET A 900 15.869 -3.498 -8.047 1.00 0.00 H new ATOM 959 N ALA A 901 11.775 -1.195 -5.505 1.00 0.00 N ATOM 960 CA ALA A 901 11.538 -1.979 -4.323 1.00 0.00 C ATOM 961 C ALA A 901 11.648 -1.088 -3.117 1.00 0.00 C ATOM 962 O ALA A 901 12.472 -0.175 -3.095 1.00 0.00 O ATOM 963 CB ALA A 901 12.523 -3.126 -4.230 1.00 0.00 C ATOM 0 H ALA A 901 12.547 -0.534 -5.417 1.00 0.00 H new ATOM 0 HA ALA A 901 10.537 -2.408 -4.370 1.00 0.00 H new ATOM 0 HB1 ALA A 901 12.324 -3.704 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 901 12.417 -3.769 -5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 901 13.538 -2.731 -4.191 1.00 0.00 H new ATOM 969 N ALA A 902 10.828 -1.348 -2.139 1.00 0.00 N ATOM 970 CA ALA A 902 10.755 -0.549 -0.941 1.00 0.00 C ATOM 971 C ALA A 902 11.963 -0.742 -0.061 1.00 0.00 C ATOM 972 O ALA A 902 12.299 -1.881 0.302 1.00 0.00 O ATOM 973 CB ALA A 902 9.513 -0.921 -0.144 1.00 0.00 C ATOM 0 H ALA A 902 10.178 -2.134 -2.148 1.00 0.00 H new ATOM 0 HA ALA A 902 10.714 0.495 -1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 902 9.465 -0.313 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 902 8.625 -0.742 -0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 902 9.559 -1.975 0.130 1.00 0.00 H new ATOM 979 N PRO A 903 12.681 0.331 0.263 1.00 0.00 N ATOM 980 CA PRO A 903 13.686 0.268 1.262 1.00 0.00 C ATOM 981 C PRO A 903 13.017 0.491 2.623 1.00 0.00 C ATOM 982 O PRO A 903 11.879 1.014 2.685 1.00 0.00 O ATOM 983 CB PRO A 903 14.643 1.422 0.925 1.00 0.00 C ATOM 984 CG PRO A 903 13.966 2.245 -0.121 1.00 0.00 C ATOM 985 CD PRO A 903 12.586 1.681 -0.318 1.00 0.00 C ATOM 0 HA PRO A 903 14.215 -0.685 1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 903 14.856 2.020 1.811 1.00 0.00 H new ATOM 0 HB3 PRO A 903 15.597 1.041 0.561 1.00 0.00 H new ATOM 0 HG2 PRO A 903 13.913 3.289 0.188 1.00 0.00 H new ATOM 0 HG3 PRO A 903 14.528 2.217 -1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 903 11.830 2.283 0.187 1.00 0.00 H new ATOM 0 HD3 PRO A 903 12.313 1.646 -1.373 1.00 0.00 H new ATOM 993 N PRO A 904 13.662 0.086 3.707 1.00 0.00 N ATOM 994 CA PRO A 904 13.117 0.264 5.040 1.00 0.00 C ATOM 995 C PRO A 904 12.929 1.747 5.369 1.00 0.00 C ATOM 996 O PRO A 904 13.766 2.586 5.013 1.00 0.00 O ATOM 997 CB PRO A 904 14.159 -0.373 5.966 1.00 0.00 C ATOM 998 CG PRO A 904 15.387 -0.560 5.148 1.00 0.00 C ATOM 999 CD PRO A 904 14.967 -0.574 3.711 1.00 0.00 C ATOM 0 HA PRO A 904 12.132 -0.191 5.145 1.00 0.00 H new ATOM 0 HB2 PRO A 904 14.358 0.267 6.825 1.00 0.00 H new ATOM 0 HB3 PRO A 904 13.802 -1.327 6.355 1.00 0.00 H new ATOM 0 HG2 PRO A 904 16.098 0.245 5.333 1.00 0.00 H new ATOM 0 HG3 PRO A 904 15.886 -1.493 5.412 1.00 0.00 H new ATOM 0 HD2 PRO A 904 15.682 -0.043 3.083 1.00 0.00 H new ATOM 0 HD3 PRO A 904 14.899 -1.592 3.327 1.00 0.00 H new ATOM 1007 N GLU A 905 11.850 2.061 6.059 1.00 0.00 N ATOM 1008 CA GLU A 905 11.511 3.434 6.396 1.00 0.00 C ATOM 1009 C GLU A 905 12.423 3.996 7.466 1.00 0.00 C ATOM 1010 O GLU A 905 12.549 5.214 7.626 1.00 0.00 O ATOM 1011 CB GLU A 905 10.032 3.556 6.775 1.00 0.00 C ATOM 1012 CG GLU A 905 9.573 2.625 7.879 1.00 0.00 C ATOM 1013 CD GLU A 905 8.101 2.754 8.135 1.00 0.00 C ATOM 1014 OE1 GLU A 905 7.292 2.290 7.292 1.00 0.00 O ATOM 1015 OE2 GLU A 905 7.711 3.361 9.157 1.00 0.00 O ATOM 0 H GLU A 905 11.181 1.372 6.403 1.00 0.00 H new ATOM 0 HA GLU A 905 11.671 4.042 5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 905 9.835 4.583 7.082 1.00 0.00 H new ATOM 0 HB3 GLU A 905 9.429 3.367 5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 905 9.807 1.595 7.608 1.00 0.00 H new ATOM 0 HG3 GLU A 905 10.123 2.846 8.794 1.00 0.00 H new ATOM 1022 N GLU A 906 13.078 3.110 8.165 1.00 0.00 N ATOM 1023 CA GLU A 906 14.013 3.487 9.193 1.00 0.00 C ATOM 1024 C GLU A 906 15.385 3.767 8.577 1.00 0.00 C ATOM 1025 O GLU A 906 16.282 4.295 9.230 1.00 0.00 O ATOM 1026 CB GLU A 906 14.073 2.402 10.242 1.00 0.00 C ATOM 1027 CG GLU A 906 12.698 2.060 10.779 1.00 0.00 C ATOM 1028 CD GLU A 906 12.719 0.986 11.805 1.00 0.00 C ATOM 1029 OE1 GLU A 906 13.256 -0.107 11.544 1.00 0.00 O ATOM 1030 OE2 GLU A 906 12.222 1.227 12.921 1.00 0.00 O ATOM 0 H GLU A 906 12.979 2.103 8.038 1.00 0.00 H new ATOM 0 HA GLU A 906 13.682 4.405 9.679 1.00 0.00 H new ATOM 0 HB2 GLU A 906 14.529 1.509 9.815 1.00 0.00 H new ATOM 0 HB3 GLU A 906 14.713 2.725 11.063 1.00 0.00 H new ATOM 0 HG2 GLU A 906 12.250 2.956 11.210 1.00 0.00 H new ATOM 0 HG3 GLU A 906 12.059 1.751 9.952 1.00 0.00 H new ATOM 1037 N MET A 907 15.530 3.410 7.321 1.00 0.00 N ATOM 1038 CA MET A 907 16.711 3.734 6.567 1.00 0.00 C ATOM 1039 C MET A 907 16.376 4.980 5.794 1.00 0.00 C ATOM 1040 O MET A 907 15.214 5.180 5.430 1.00 0.00 O ATOM 1041 CB MET A 907 17.110 2.594 5.626 1.00 0.00 C ATOM 1042 CG MET A 907 18.377 2.860 4.823 1.00 0.00 C ATOM 1043 SD MET A 907 19.800 3.239 5.874 1.00 0.00 S ATOM 1044 CE MET A 907 21.054 3.540 4.634 1.00 0.00 C ATOM 0 H MET A 907 14.829 2.886 6.796 1.00 0.00 H new ATOM 0 HA MET A 907 17.565 3.888 7.226 1.00 0.00 H new ATOM 0 HB2 MET A 907 17.249 1.686 6.213 1.00 0.00 H new ATOM 0 HB3 MET A 907 16.289 2.404 4.935 1.00 0.00 H new ATOM 0 HG2 MET A 907 18.604 1.987 4.211 1.00 0.00 H new ATOM 0 HG3 MET A 907 18.202 3.692 4.140 1.00 0.00 H new ATOM 0 HE1 MET A 907 21.996 3.788 5.122 1.00 0.00 H new ATOM 0 HE2 MET A 907 21.185 2.646 4.025 1.00 0.00 H new ATOM 0 HE3 MET A 907 20.745 4.370 3.998 1.00 0.00 H new ATOM 1054 N GLN A 908 17.333 5.818 5.549 1.00 0.00 N ATOM 1055 CA GLN A 908 17.019 7.096 4.963 1.00 0.00 C ATOM 1056 C GLN A 908 17.139 7.087 3.450 1.00 0.00 C ATOM 1057 O GLN A 908 17.969 6.366 2.876 1.00 0.00 O ATOM 1058 CB GLN A 908 17.870 8.210 5.564 1.00 0.00 C ATOM 1059 CG GLN A 908 17.997 8.165 7.089 1.00 0.00 C ATOM 1060 CD GLN A 908 16.682 7.990 7.869 1.00 0.00 C ATOM 1061 OE1 GLN A 908 15.587 8.466 7.349 1.00 0.00 O flip ATOM 1062 NE2 GLN A 908 16.679 7.405 8.956 1.00 0.00 N flip ATOM 0 H GLN A 908 18.321 5.652 5.738 1.00 0.00 H new ATOM 0 HA GLN A 908 15.974 7.295 5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 908 18.868 8.162 5.128 1.00 0.00 H new ATOM 0 HB3 GLN A 908 17.443 9.171 5.277 1.00 0.00 H new ATOM 0 HG2 GLN A 908 18.666 7.346 7.354 1.00 0.00 H new ATOM 0 HG3 GLN A 908 18.474 9.087 7.422 1.00 0.00 H new ATOM 0 HE21 GLN A 908 17.550 7.041 9.342 1.00 0.00 H new ATOM 0 HE22 GLN A 908 15.805 7.285 9.468 1.00 0.00 H new ATOM 1071 N TRP A 909 16.309 7.885 2.825 1.00 0.00 N ATOM 1072 CA TRP A 909 16.263 8.051 1.386 1.00 0.00 C ATOM 1073 C TRP A 909 15.768 9.447 1.081 1.00 0.00 C ATOM 1074 O TRP A 909 14.899 9.980 1.781 1.00 0.00 O ATOM 1075 CB TRP A 909 15.335 7.007 0.735 1.00 0.00 C ATOM 1076 CG TRP A 909 15.136 7.174 -0.749 1.00 0.00 C ATOM 1077 CD1 TRP A 909 15.847 6.585 -1.753 1.00 0.00 C ATOM 1078 CD2 TRP A 909 14.150 7.997 -1.387 1.00 0.00 C ATOM 1079 NE1 TRP A 909 15.356 6.995 -2.973 1.00 0.00 N ATOM 1080 CE2 TRP A 909 14.320 7.864 -2.766 1.00 0.00 C ATOM 1081 CE3 TRP A 909 13.138 8.841 -0.909 1.00 0.00 C ATOM 1082 CZ2 TRP A 909 13.525 8.535 -3.673 1.00 0.00 C ATOM 1083 CZ3 TRP A 909 12.349 9.507 -1.815 1.00 0.00 C ATOM 1084 CH2 TRP A 909 12.546 9.351 -3.179 1.00 0.00 C ATOM 0 H TRP A 909 15.623 8.457 3.317 1.00 0.00 H new ATOM 0 HA TRP A 909 17.262 7.905 0.976 1.00 0.00 H new ATOM 0 HB2 TRP A 909 15.742 6.013 0.923 1.00 0.00 H new ATOM 0 HB3 TRP A 909 14.362 7.051 1.225 1.00 0.00 H new ATOM 0 HD1 TRP A 909 16.671 5.901 -1.613 1.00 0.00 H new ATOM 0 HE1 TRP A 909 15.708 6.699 -3.883 1.00 0.00 H new ATOM 0 HE3 TRP A 909 12.981 8.965 0.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 13.671 8.419 -4.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 11.565 10.160 -1.461 1.00 0.00 H new ATOM 0 HH2 TRP A 909 11.910 9.887 -3.868 1.00 0.00 H new ATOM 1095 N PHE A 910 16.297 10.027 0.052 1.00 0.00 N ATOM 1096 CA PHE A 910 15.966 11.359 -0.335 1.00 0.00 C ATOM 1097 C PHE A 910 15.752 11.351 -1.829 1.00 0.00 C ATOM 1098 O PHE A 910 16.412 10.563 -2.532 1.00 0.00 O ATOM 1099 CB PHE A 910 17.125 12.295 0.043 1.00 0.00 C ATOM 1100 CG PHE A 910 17.502 12.219 1.503 1.00 0.00 C ATOM 1101 CD1 PHE A 910 16.866 13.004 2.429 1.00 0.00 C ATOM 1102 CD2 PHE A 910 18.485 11.341 1.941 1.00 0.00 C ATOM 1103 CE1 PHE A 910 17.188 12.928 3.766 1.00 0.00 C ATOM 1104 CE2 PHE A 910 18.814 11.260 3.275 1.00 0.00 C ATOM 1105 CZ PHE A 910 18.163 12.056 4.190 1.00 0.00 C ATOM 0 H PHE A 910 16.984 9.579 -0.554 1.00 0.00 H new ATOM 0 HA PHE A 910 15.066 11.711 0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 910 17.996 12.047 -0.563 1.00 0.00 H new ATOM 0 HB3 PHE A 910 16.849 13.321 -0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 910 16.100 13.693 2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 910 18.997 10.714 1.226 1.00 0.00 H new ATOM 0 HE1 PHE A 910 16.675 13.553 4.481 1.00 0.00 H new ATOM 0 HE2 PHE A 910 19.581 10.574 3.603 1.00 0.00 H new ATOM 0 HZ PHE A 910 18.417 11.996 5.238 1.00 0.00 H new ATOM 1115 N CYS A 911 14.820 12.170 -2.320 1.00 0.00 N ATOM 1116 CA CYS A 911 14.550 12.245 -3.755 1.00 0.00 C ATOM 1117 C CYS A 911 15.827 12.680 -4.504 1.00 0.00 C ATOM 1118 O CYS A 911 16.737 13.227 -3.878 1.00 0.00 O ATOM 1119 CB CYS A 911 13.385 13.240 -4.030 1.00 0.00 C ATOM 1120 SG CYS A 911 13.726 14.975 -3.614 1.00 0.00 S ATOM 0 H CYS A 911 14.243 12.787 -1.748 1.00 0.00 H new ATOM 0 HA CYS A 911 14.252 11.261 -4.116 1.00 0.00 H new ATOM 0 HB2 CYS A 911 13.123 13.182 -5.086 1.00 0.00 H new ATOM 0 HB3 CYS A 911 12.511 12.914 -3.466 1.00 0.00 H new ATOM 1125 N PRO A 912 15.925 12.444 -5.839 1.00 0.00 N ATOM 1126 CA PRO A 912 17.093 12.851 -6.644 1.00 0.00 C ATOM 1127 C PRO A 912 17.518 14.319 -6.402 1.00 0.00 C ATOM 1128 O PRO A 912 18.698 14.645 -6.473 1.00 0.00 O ATOM 1129 CB PRO A 912 16.626 12.657 -8.103 1.00 0.00 C ATOM 1130 CG PRO A 912 15.168 12.315 -8.019 1.00 0.00 C ATOM 1131 CD PRO A 912 14.952 11.719 -6.661 1.00 0.00 C ATOM 0 HA PRO A 912 17.973 12.263 -6.383 1.00 0.00 H new ATOM 0 HB2 PRO A 912 16.783 13.563 -8.688 1.00 0.00 H new ATOM 0 HB3 PRO A 912 17.188 11.861 -8.592 1.00 0.00 H new ATOM 0 HG2 PRO A 912 14.552 13.204 -8.156 1.00 0.00 H new ATOM 0 HG3 PRO A 912 14.889 11.610 -8.802 1.00 0.00 H new ATOM 0 HD2 PRO A 912 13.931 11.869 -6.309 1.00 0.00 H new ATOM 0 HD3 PRO A 912 15.136 10.645 -6.655 1.00 0.00 H new ATOM 1139 N LYS A 913 16.547 15.173 -6.069 1.00 0.00 N ATOM 1140 CA LYS A 913 16.818 16.574 -5.785 1.00 0.00 C ATOM 1141 C LYS A 913 17.560 16.687 -4.457 1.00 0.00 C ATOM 1142 O LYS A 913 18.659 17.260 -4.375 1.00 0.00 O ATOM 1143 CB LYS A 913 15.510 17.372 -5.693 1.00 0.00 C ATOM 1144 CG LYS A 913 14.617 17.290 -6.917 1.00 0.00 C ATOM 1145 CD LYS A 913 13.397 18.206 -6.789 1.00 0.00 C ATOM 1146 CE LYS A 913 12.546 17.911 -5.542 1.00 0.00 C ATOM 1147 NZ LYS A 913 12.059 16.518 -5.498 1.00 0.00 N ATOM 0 H LYS A 913 15.564 14.912 -5.991 1.00 0.00 H new ATOM 0 HA LYS A 913 17.425 16.980 -6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 913 14.948 17.019 -4.828 1.00 0.00 H new ATOM 0 HB3 LYS A 913 15.753 18.419 -5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 913 15.188 17.566 -7.803 1.00 0.00 H new ATOM 0 HG3 LYS A 913 14.286 16.261 -7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 913 13.731 19.243 -6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 913 12.776 18.100 -7.678 1.00 0.00 H new ATOM 0 HE2 LYS A 913 13.137 18.113 -4.649 1.00 0.00 H new ATOM 0 HE3 LYS A 913 11.694 18.590 -5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 11.287 16.442 -4.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 11.709 16.243 -6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 12.837 15.887 -5.220 1.00 0.00 H new ATOM 1161 N CYS A 914 16.979 16.097 -3.437 1.00 0.00 N ATOM 1162 CA CYS A 914 17.514 16.151 -2.105 1.00 0.00 C ATOM 1163 C CYS A 914 18.785 15.341 -1.930 1.00 0.00 C ATOM 1164 O CYS A 914 19.681 15.755 -1.239 1.00 0.00 O ATOM 1165 CB CYS A 914 16.435 15.780 -1.096 1.00 0.00 C ATOM 1166 SG CYS A 914 15.184 17.055 -0.941 1.00 0.00 S ATOM 0 H CYS A 914 16.114 15.562 -3.515 1.00 0.00 H new ATOM 0 HA CYS A 914 17.821 17.180 -1.916 1.00 0.00 H new ATOM 0 HB2 CYS A 914 15.963 14.845 -1.399 1.00 0.00 H new ATOM 0 HB3 CYS A 914 16.895 15.604 -0.123 1.00 0.00 H new ATOM 1171 N ALA A 915 18.879 14.230 -2.588 1.00 0.00 N ATOM 1172 CA ALA A 915 20.059 13.399 -2.477 1.00 0.00 C ATOM 1173 C ALA A 915 21.261 14.051 -3.176 1.00 0.00 C ATOM 1174 O ALA A 915 22.419 13.791 -2.836 1.00 0.00 O ATOM 1175 CB ALA A 915 19.780 12.016 -3.018 1.00 0.00 C ATOM 0 H ALA A 915 18.158 13.867 -3.211 1.00 0.00 H new ATOM 0 HA ALA A 915 20.316 13.300 -1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 915 20.676 11.402 -2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 915 18.969 11.560 -2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 915 19.493 12.087 -4.067 1.00 0.00 H new ATOM 1181 N ASN A 916 20.973 14.955 -4.097 1.00 0.00 N ATOM 1182 CA ASN A 916 22.011 15.663 -4.856 1.00 0.00 C ATOM 1183 C ASN A 916 22.722 16.623 -3.933 1.00 0.00 C ATOM 1184 O ASN A 916 23.948 16.649 -3.876 1.00 0.00 O ATOM 1185 CB ASN A 916 21.398 16.419 -6.080 1.00 0.00 C ATOM 1186 CG ASN A 916 22.406 17.206 -6.965 1.00 0.00 C ATOM 1187 OD1 ASN A 916 23.424 17.739 -6.506 1.00 0.00 O ATOM 1188 ND2 ASN A 916 22.134 17.268 -8.245 1.00 0.00 N ATOM 0 H ASN A 916 20.021 15.224 -4.345 1.00 0.00 H new ATOM 0 HA ASN A 916 22.725 14.939 -5.249 1.00 0.00 H new ATOM 0 HB2 ASN A 916 20.881 15.694 -6.709 1.00 0.00 H new ATOM 0 HB3 ASN A 916 20.645 17.116 -5.712 1.00 0.00 H new ATOM 0 HD21 ASN A 916 22.765 17.760 -8.877 1.00 0.00 H new ATOM 0 HD22 ASN A 916 21.291 16.824 -8.609 1.00 0.00 H new ATOM 1195 N LYS A 917 21.947 17.332 -3.136 1.00 0.00 N ATOM 1196 CA LYS A 917 22.483 18.358 -2.246 1.00 0.00 C ATOM 1197 C LYS A 917 23.233 17.744 -1.066 1.00 0.00 C ATOM 1198 O LYS A 917 23.908 18.441 -0.318 1.00 0.00 O ATOM 1199 CB LYS A 917 21.363 19.292 -1.766 1.00 0.00 C ATOM 1200 CG LYS A 917 20.366 18.620 -0.852 1.00 0.00 C ATOM 1201 CD LYS A 917 19.137 19.464 -0.597 1.00 0.00 C ATOM 1202 CE LYS A 917 18.157 18.732 0.312 1.00 0.00 C ATOM 1203 NZ LYS A 917 16.860 19.437 0.416 1.00 0.00 N ATOM 0 H LYS A 917 20.935 17.219 -3.083 1.00 0.00 H new ATOM 0 HA LYS A 917 23.203 18.949 -2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 917 21.807 20.140 -1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 917 20.837 19.691 -2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 917 20.063 17.669 -1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 917 20.848 18.393 0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 917 19.428 20.409 -0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 917 18.652 19.704 -1.543 1.00 0.00 H new ATOM 0 HE2 LYS A 917 17.992 17.725 -0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 917 18.593 18.628 1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 16.576 19.496 1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 16.954 20.396 0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 16.137 18.915 -0.119 1.00 0.00 H new ATOM 1217 N ILE A 918 23.114 16.452 -0.903 1.00 0.00 N ATOM 1218 CA ILE A 918 23.803 15.776 0.162 1.00 0.00 C ATOM 1219 C ILE A 918 25.154 15.293 -0.333 1.00 0.00 C ATOM 1220 O ILE A 918 26.169 15.474 0.331 1.00 0.00 O ATOM 1221 CB ILE A 918 22.993 14.581 0.694 1.00 0.00 C ATOM 1222 CG1 ILE A 918 21.571 15.037 1.022 1.00 0.00 C ATOM 1223 CG2 ILE A 918 23.671 13.991 1.933 1.00 0.00 C ATOM 1224 CD1 ILE A 918 20.695 13.966 1.611 1.00 0.00 C ATOM 0 H ILE A 918 22.545 15.847 -1.496 1.00 0.00 H new ATOM 0 HA ILE A 918 23.934 16.484 0.980 1.00 0.00 H new ATOM 0 HB ILE A 918 22.949 13.805 -0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 918 21.622 15.872 1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 918 21.104 15.412 0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 918 23.088 13.146 2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 918 24.674 13.654 1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 918 23.735 14.752 2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 918 19.705 14.376 1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 918 20.608 13.139 0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 918 21.135 13.606 2.541 1.00 0.00 H new ATOM 1236 N LYS A 919 25.178 14.750 -1.534 1.00 0.00 N ATOM 1237 CA LYS A 919 26.409 14.196 -2.051 1.00 0.00 C ATOM 1238 C LYS A 919 27.280 15.279 -2.650 1.00 0.00 C ATOM 1239 O LYS A 919 28.510 15.185 -2.599 1.00 0.00 O ATOM 1240 CB LYS A 919 26.176 12.993 -3.006 1.00 0.00 C ATOM 1241 CG LYS A 919 25.319 13.253 -4.242 1.00 0.00 C ATOM 1242 CD LYS A 919 25.066 11.942 -4.997 1.00 0.00 C ATOM 1243 CE LYS A 919 24.185 12.126 -6.237 1.00 0.00 C ATOM 1244 NZ LYS A 919 24.829 12.957 -7.272 1.00 0.00 N ATOM 0 H LYS A 919 24.375 14.682 -2.159 1.00 0.00 H new ATOM 0 HA LYS A 919 26.959 13.777 -1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 919 27.148 12.629 -3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 919 25.712 12.189 -2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 919 24.370 13.701 -3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 919 25.819 13.967 -4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 919 26.021 11.512 -5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 919 24.592 11.227 -4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 919 23.947 11.149 -6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 919 23.241 12.585 -5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 919 24.206 13.022 -8.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 919 25.002 13.910 -6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 919 25.733 12.525 -7.551 1.00 0.00 H new ATOM 1258 N LYS A 920 26.625 16.318 -3.218 1.00 0.00 N ATOM 1259 CA LYS A 920 27.293 17.534 -3.735 1.00 0.00 C ATOM 1260 C LYS A 920 28.382 17.193 -4.750 1.00 0.00 C ATOM 1261 O LYS A 920 29.328 17.971 -4.938 1.00 0.00 O ATOM 1262 CB LYS A 920 27.917 18.314 -2.569 1.00 0.00 C ATOM 1263 CG LYS A 920 26.943 18.838 -1.528 1.00 0.00 C ATOM 1264 CD LYS A 920 27.694 19.575 -0.424 1.00 0.00 C ATOM 1265 CE LYS A 920 26.767 20.078 0.672 1.00 0.00 C ATOM 1266 NZ LYS A 920 25.986 18.990 1.301 1.00 0.00 N ATOM 0 H LYS A 920 25.611 16.336 -3.331 1.00 0.00 H new ATOM 0 HA LYS A 920 26.538 18.140 -4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 920 28.640 17.668 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 920 28.472 19.158 -2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 920 26.224 19.509 -1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 920 26.376 18.011 -1.102 1.00 0.00 H new ATOM 0 HD2 LYS A 920 28.439 18.909 0.011 1.00 0.00 H new ATOM 0 HD3 LYS A 920 28.233 20.418 -0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 920 27.356 20.586 1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 920 26.083 20.816 0.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 920 25.655 19.297 2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 920 25.167 18.760 0.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 920 26.586 18.147 1.405 1.00 0.00 H new ATOM 1280 N ASP A 921 28.197 16.069 -5.440 1.00 0.00 N ATOM 1281 CA ASP A 921 29.183 15.491 -6.334 1.00 0.00 C ATOM 1282 C ASP A 921 30.464 15.151 -5.602 1.00 0.00 C ATOM 1283 O ASP A 921 31.244 16.036 -5.217 1.00 0.00 O ATOM 1284 CB ASP A 921 29.458 16.343 -7.587 1.00 0.00 C ATOM 1285 CG ASP A 921 28.550 16.020 -8.766 1.00 0.00 C ATOM 1286 OD1 ASP A 921 27.306 16.079 -8.629 1.00 0.00 O ATOM 1287 OD2 ASP A 921 29.080 15.666 -9.862 1.00 0.00 O ATOM 0 H ASP A 921 27.335 15.527 -5.388 1.00 0.00 H new ATOM 0 HA ASP A 921 28.743 14.563 -6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 921 29.343 17.396 -7.330 1.00 0.00 H new ATOM 0 HB3 ASP A 921 30.495 16.201 -7.890 1.00 0.00 H new ATOM 1292 N LYS A 922 30.684 13.860 -5.414 1.00 0.00 N ATOM 1293 CA LYS A 922 31.878 13.339 -4.740 1.00 0.00 C ATOM 1294 C LYS A 922 33.114 13.693 -5.553 1.00 0.00 C ATOM 1295 O LYS A 922 34.214 13.781 -5.015 1.00 0.00 O ATOM 1296 CB LYS A 922 31.768 11.823 -4.574 1.00 0.00 C ATOM 1297 CG LYS A 922 30.618 11.369 -3.675 1.00 0.00 C ATOM 1298 CD LYS A 922 30.397 9.858 -3.757 1.00 0.00 C ATOM 1299 CE LYS A 922 29.835 9.451 -5.119 1.00 0.00 C ATOM 1300 NZ LYS A 922 29.672 7.990 -5.265 1.00 0.00 N ATOM 0 H LYS A 922 30.039 13.133 -5.724 1.00 0.00 H new ATOM 0 HA LYS A 922 31.960 13.790 -3.751 1.00 0.00 H new ATOM 0 HB2 LYS A 922 31.645 11.370 -5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 922 32.705 11.445 -4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 922 30.830 11.650 -2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 922 29.704 11.887 -3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 922 31.340 9.341 -3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 922 29.711 9.546 -2.970 1.00 0.00 H new ATOM 0 HE2 LYS A 922 28.869 9.935 -5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 922 30.498 9.817 -5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 29.288 7.776 -6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 30.595 7.525 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 29.018 7.639 -4.537 1.00 0.00 H new ATOM 1314 N LYS A 923 32.883 13.904 -6.856 1.00 0.00 N ATOM 1315 CA LYS A 923 33.867 14.377 -7.820 1.00 0.00 C ATOM 1316 C LYS A 923 34.856 13.324 -8.223 1.00 0.00 C ATOM 1317 O LYS A 923 35.589 12.767 -7.398 1.00 0.00 O ATOM 1318 CB LYS A 923 34.556 15.668 -7.359 1.00 0.00 C ATOM 1319 CG LYS A 923 33.606 16.839 -7.243 1.00 0.00 C ATOM 1320 CD LYS A 923 34.283 18.056 -6.663 1.00 0.00 C ATOM 1321 CE LYS A 923 33.318 19.225 -6.576 1.00 0.00 C ATOM 1322 NZ LYS A 923 32.147 18.951 -5.707 1.00 0.00 N ATOM 0 H LYS A 923 31.968 13.741 -7.276 1.00 0.00 H new ATOM 0 HA LYS A 923 33.304 14.618 -8.722 1.00 0.00 H new ATOM 0 HB2 LYS A 923 35.029 15.495 -6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 923 35.350 15.920 -8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 923 33.206 17.081 -8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 923 32.760 16.560 -6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 923 34.669 17.824 -5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 923 35.138 18.330 -7.281 1.00 0.00 H new ATOM 0 HE2 LYS A 923 33.848 20.098 -6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 923 32.969 19.475 -7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 923 32.017 19.739 -5.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 923 31.295 18.850 -6.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 923 32.307 18.072 -5.175 1.00 0.00 H new ATOM 1336 N HIS A 924 34.860 13.045 -9.482 1.00 0.00 N ATOM 1337 CA HIS A 924 35.754 12.109 -10.061 1.00 0.00 C ATOM 1338 C HIS A 924 36.244 12.721 -11.358 1.00 0.00 C ATOM 1339 O HIS A 924 35.686 12.424 -12.428 1.00 0.00 O ATOM 1340 CB HIS A 924 35.034 10.778 -10.310 1.00 0.00 C ATOM 1341 CG HIS A 924 35.919 9.676 -10.786 1.00 0.00 C ATOM 1342 ND1 HIS A 924 35.965 9.259 -12.093 1.00 0.00 N ATOM 1343 CD2 HIS A 924 36.778 8.881 -10.110 1.00 0.00 C ATOM 1344 CE1 HIS A 924 36.808 8.262 -12.204 1.00 0.00 C ATOM 1345 NE2 HIS A 924 37.319 8.009 -11.017 1.00 0.00 N ATOM 1346 OXT HIS A 924 37.151 13.577 -11.302 1.00 0.00 O ATOM 0 H HIS A 924 34.223 13.475 -10.153 1.00 0.00 H new ATOM 0 HA HIS A 924 36.595 11.897 -9.401 1.00 0.00 H new ATOM 0 HB2 HIS A 924 34.548 10.464 -9.386 1.00 0.00 H new ATOM 0 HB3 HIS A 924 34.246 10.938 -11.046 1.00 0.00 H new ATOM 0 HD2 HIS A 924 36.997 8.925 -9.053 1.00 0.00 H new ATOM 0 HE1 HIS A 924 37.044 7.735 -13.117 1.00 0.00 H new ATOM 0 HE2 HIS A 924 38.005 7.283 -10.808 1.00 0.00 H new TER 1355 HIS A 924 HETATM 1356 ZN ZN A 940 13.524 15.698 -1.481 1.00 0.00 ZN HETATM 1357 ZN ZN A 941 4.413 9.663 -9.892 1.00 0.00 ZN