USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=20 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 1:sc= 2.19 USER MOD Set 1.2: A 913 LYS NZ :NH3+ -151:sc= 2.78 (180deg=0.29) USER MOD Set 2.1: A 853 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 874 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.32) USER MOD Single : A 851 SER OG : rot 180:sc= 0 USER MOD Single : A 852 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.36) USER MOD Single : A 855 MET CE :methyl 161:sc= -0.168 (180deg=-0.767) USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 866 GLN : amide:sc= -1.41! K(o=-1.4!,f=0) USER MOD Single : A 875 LYS NZ :NH3+ -175:sc=-0.000165 (180deg=-0.049) USER MOD Single : A 880 SER OG : rot 180:sc= 0 USER MOD Single : A 882 MET CE :methyl -120:sc= -0.183 (180deg=-0.959) USER MOD Single : A 900 MET CE :methyl 166:sc= -0.0376 (180deg=-0.287) USER MOD Single : A 907 MET CE :methyl -179:sc= -0.839 (180deg=-0.856) USER MOD Single : A 908 GLN : amide:sc= -1.37! K(o=-1.4!,f=-0.1) USER MOD Single : A 916 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.4!) USER MOD Single : A 917 LYS NZ :NH3+ -153:sc= 2.18 (180deg=1.38) USER MOD Single : A 919 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00532) USER MOD Single : A 920 LYS NZ :NH3+ -159:sc= 1.08 (180deg=0.614) USER MOD Single : A 922 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 923 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0677) USER MOD Single : A 924 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : P 1 ALA N :NH3+ -149:sc= 2.44 (180deg=0.213) USER MOD Single : P 3 THR OG1 : rot 46:sc= -0.14 USER MOD Single : P 5 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.68) USER MOD Single : P 6 THR OG1 : rot 180:sc= 0.42 USER MOD Single : P 9 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0251) USER MOD Single : P 10 SER OG : rot 180:sc= 0.0772 USER MOD Single : P 11 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 13.540 6.126 4.412 1.00 0.00 N ATOM 2 CA ALA P 1 12.789 5.647 3.267 1.00 0.00 C ATOM 3 C ALA P 1 11.589 4.955 3.777 1.00 0.00 C ATOM 4 O ALA P 1 11.648 3.803 4.175 1.00 0.00 O ATOM 5 CB ALA P 1 13.598 4.668 2.414 1.00 0.00 C ATOM 0 H1 ALA P 1 14.042 7.001 4.157 1.00 0.00 H new ATOM 0 H2 ALA P 1 12.888 6.318 5.199 1.00 0.00 H new ATOM 0 H3 ALA P 1 14.229 5.403 4.702 1.00 0.00 H new ATOM 0 HA ALA P 1 12.534 6.498 2.636 1.00 0.00 H new ATOM 0 HB1 ALA P 1 12.994 4.337 1.569 1.00 0.00 H new ATOM 0 HB2 ALA P 1 14.497 5.163 2.046 1.00 0.00 H new ATOM 0 HB3 ALA P 1 13.880 3.806 3.018 1.00 0.00 H new ATOM 13 N ARG P 2 10.516 5.661 3.842 1.00 0.00 N ATOM 14 CA ARG P 2 9.320 5.077 4.334 1.00 0.00 C ATOM 15 C ARG P 2 8.539 4.585 3.153 1.00 0.00 C ATOM 16 O ARG P 2 8.027 5.374 2.384 1.00 0.00 O ATOM 17 CB ARG P 2 8.530 6.094 5.140 1.00 0.00 C ATOM 18 CG ARG P 2 7.517 5.486 6.053 1.00 0.00 C ATOM 19 CD ARG P 2 7.075 6.478 7.122 1.00 0.00 C ATOM 20 NE ARG P 2 6.767 7.827 6.593 1.00 0.00 N ATOM 21 CZ ARG P 2 6.323 8.852 7.350 1.00 0.00 C ATOM 22 NH1 ARG P 2 5.975 8.636 8.627 1.00 0.00 N ATOM 23 NH2 ARG P 2 6.220 10.077 6.825 1.00 0.00 N ATOM 0 H ARG P 2 10.442 6.639 3.562 1.00 0.00 H new ATOM 0 HA ARG P 2 9.539 4.244 5.002 1.00 0.00 H new ATOM 0 HB2 ARG P 2 9.223 6.693 5.730 1.00 0.00 H new ATOM 0 HB3 ARG P 2 8.025 6.774 4.454 1.00 0.00 H new ATOM 0 HG2 ARG P 2 6.652 5.160 5.476 1.00 0.00 H new ATOM 0 HG3 ARG P 2 7.937 4.599 6.527 1.00 0.00 H new ATOM 0 HD2 ARG P 2 6.192 6.085 7.627 1.00 0.00 H new ATOM 0 HD3 ARG P 2 7.860 6.563 7.873 1.00 0.00 H new ATOM 0 HE ARG P 2 6.899 7.991 5.595 1.00 0.00 H new ATOM 0 HH11 ARG P 2 6.046 7.699 9.024 1.00 0.00 H new ATOM 0 HH12 ARG P 2 5.639 9.409 9.202 1.00 0.00 H new ATOM 0 HH21 ARG P 2 6.477 10.238 5.851 1.00 0.00 H new ATOM 0 HH22 ARG P 2 5.884 10.851 7.398 1.00 0.00 H new ATOM 37 N THR P 3 8.547 3.316 2.950 1.00 0.00 N ATOM 38 CA THR P 3 7.843 2.733 1.856 1.00 0.00 C ATOM 39 C THR P 3 6.570 2.072 2.294 1.00 0.00 C ATOM 40 O THR P 3 6.577 1.150 3.106 1.00 0.00 O ATOM 41 CB THR P 3 8.733 1.758 1.118 1.00 0.00 C ATOM 42 OG1 THR P 3 9.564 1.067 2.069 1.00 0.00 O ATOM 43 CG2 THR P 3 9.587 2.493 0.118 1.00 0.00 C ATOM 0 H THR P 3 9.043 2.647 3.539 1.00 0.00 H new ATOM 0 HA THR P 3 7.565 3.538 1.176 1.00 0.00 H new ATOM 0 HB THR P 3 8.118 1.036 0.581 1.00 0.00 H new ATOM 0 HG1 THR P 3 9.019 0.776 2.830 1.00 0.00 H new ATOM 0 HG21 THR P 3 10.224 1.782 -0.408 1.00 0.00 H new ATOM 0 HG22 THR P 3 8.947 3.007 -0.599 1.00 0.00 H new ATOM 0 HG23 THR P 3 10.209 3.223 0.637 1.00 0.00 H new HETATM 51 N M3L P 4 5.490 2.545 1.763 1.00 0.00 N HETATM 52 CA M3L P 4 4.197 2.035 2.079 1.00 0.00 C HETATM 53 CB M3L P 4 3.396 3.101 2.844 1.00 0.00 C HETATM 54 CG M3L P 4 2.943 4.265 1.963 1.00 0.00 C HETATM 55 CD M3L P 4 1.541 4.743 2.309 1.00 0.00 C HETATM 56 CE M3L P 4 1.579 6.129 2.943 1.00 0.00 C HETATM 57 NZ M3L P 4 0.608 7.097 2.251 1.00 0.00 N HETATM 58 C M3L P 4 3.482 1.708 0.795 1.00 0.00 C HETATM 59 O M3L P 4 4.002 1.964 -0.293 1.00 0.00 O HETATM 60 CM1 M3L P 4 -0.817 6.564 2.356 1.00 0.00 C HETATM 61 CM2 M3L P 4 0.693 8.432 2.957 1.00 0.00 C HETATM 62 CM3 M3L P 4 0.968 7.274 0.768 1.00 0.00 C HETATM 0 HM33 M3L P 4 1.978 7.674 0.684 1.00 0.00 H new HETATM 0 HM32 M3L P 4 0.917 6.309 0.264 1.00 0.00 H new HETATM 0 HM31 M3L P 4 0.264 7.964 0.303 1.00 0.00 H new HETATM 0 HM23 M3L P 4 0.417 8.308 4.004 1.00 0.00 H new HETATM 0 HM22 M3L P 4 1.712 8.813 2.893 1.00 0.00 H new HETATM 0 HM21 M3L P 4 0.011 9.138 2.483 1.00 0.00 H new HETATM 0 HM13 M3L P 4 -0.877 5.588 1.874 1.00 0.00 H new HETATM 0 HM12 M3L P 4 -1.093 6.467 3.406 1.00 0.00 H new HETATM 0 HM11 M3L P 4 -1.501 7.255 1.863 1.00 0.00 H new HETATM 0 HG3 M3L P 4 3.643 5.093 2.072 1.00 0.00 H new HETATM 0 HG2 M3L P 4 2.972 3.958 0.917 1.00 0.00 H new HETATM 0 HE3 M3L P 4 1.325 6.053 4.000 1.00 0.00 H new HETATM 0 HE2 M3L P 4 2.592 6.527 2.887 1.00 0.00 H new HETATM 0 HD3 M3L P 4 0.928 4.768 1.408 1.00 0.00 H new HETATM 0 HD2 M3L P 4 1.071 4.038 2.995 1.00 0.00 H new HETATM 0 HB3 M3L P 4 2.521 2.634 3.295 1.00 0.00 H new HETATM 0 HB2 M3L P 4 4.006 3.488 3.660 1.00 0.00 H new HETATM 0 HA M3L P 4 4.292 1.142 2.697 1.00 0.00 H new ATOM 82 N GLN P 5 2.319 1.180 0.920 1.00 0.00 N ATOM 83 CA GLN P 5 1.471 0.921 -0.182 1.00 0.00 C ATOM 84 C GLN P 5 0.070 1.154 0.287 1.00 0.00 C ATOM 85 O GLN P 5 -0.441 0.413 1.137 1.00 0.00 O ATOM 86 CB GLN P 5 1.638 -0.498 -0.714 1.00 0.00 C ATOM 87 CG GLN P 5 0.843 -0.743 -1.985 1.00 0.00 C ATOM 88 CD GLN P 5 1.002 -2.133 -2.525 1.00 0.00 C ATOM 89 OE1 GLN P 5 1.243 -3.077 -1.786 1.00 0.00 O ATOM 90 NE2 GLN P 5 0.839 -2.279 -3.801 1.00 0.00 N ATOM 0 H GLN P 5 1.921 0.909 1.819 1.00 0.00 H new ATOM 0 HA GLN P 5 1.725 1.581 -1.011 1.00 0.00 H new ATOM 0 HB2 GLN P 5 2.694 -0.687 -0.908 1.00 0.00 H new ATOM 0 HB3 GLN P 5 1.322 -1.208 0.050 1.00 0.00 H new ATOM 0 HG2 GLN P 5 -0.212 -0.556 -1.787 1.00 0.00 H new ATOM 0 HG3 GLN P 5 1.156 -0.027 -2.745 1.00 0.00 H new ATOM 0 HE21 GLN P 5 0.639 -1.468 -4.386 1.00 0.00 H new ATOM 0 HE22 GLN P 5 0.910 -3.206 -4.222 1.00 0.00 H new ATOM 99 N THR P 6 -0.508 2.224 -0.181 1.00 0.00 N ATOM 100 CA THR P 6 -1.853 2.587 0.171 1.00 0.00 C ATOM 101 C THR P 6 -2.801 1.483 -0.294 1.00 0.00 C ATOM 102 O THR P 6 -3.632 0.978 0.477 1.00 0.00 O ATOM 103 CB THR P 6 -2.198 3.906 -0.523 1.00 0.00 C ATOM 104 OG1 THR P 6 -1.156 4.852 -0.250 1.00 0.00 O ATOM 105 CG2 THR P 6 -3.535 4.456 -0.049 1.00 0.00 C ATOM 0 H THR P 6 -0.056 2.875 -0.823 1.00 0.00 H new ATOM 0 HA THR P 6 -1.950 2.709 1.250 1.00 0.00 H new ATOM 0 HB THR P 6 -2.281 3.727 -1.595 1.00 0.00 H new ATOM 0 HG1 THR P 6 -1.361 5.702 -0.693 1.00 0.00 H new ATOM 0 HG21 THR P 6 -3.746 5.393 -0.564 1.00 0.00 H new ATOM 0 HG22 THR P 6 -4.323 3.736 -0.269 1.00 0.00 H new ATOM 0 HG23 THR P 6 -3.495 4.634 1.026 1.00 0.00 H new ATOM 113 N ALA P 7 -2.609 1.101 -1.554 1.00 0.00 N ATOM 114 CA ALA P 7 -3.332 0.037 -2.224 1.00 0.00 C ATOM 115 C ALA P 7 -4.828 0.288 -2.348 1.00 0.00 C ATOM 116 O ALA P 7 -5.405 1.187 -1.723 1.00 0.00 O ATOM 117 CB ALA P 7 -3.061 -1.320 -1.580 1.00 0.00 C ATOM 0 H ALA P 7 -1.916 1.546 -2.156 1.00 0.00 H new ATOM 0 HA ALA P 7 -2.943 0.025 -3.242 1.00 0.00 H new ATOM 0 HB1 ALA P 7 -3.620 -2.092 -2.109 1.00 0.00 H new ATOM 0 HB2 ALA P 7 -1.995 -1.542 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA P 7 -3.374 -1.296 -0.536 1.00 0.00 H new ATOM 123 N ARG P 8 -5.424 -0.454 -3.218 1.00 0.00 N ATOM 124 CA ARG P 8 -6.860 -0.512 -3.327 1.00 0.00 C ATOM 125 C ARG P 8 -7.233 -1.973 -3.494 1.00 0.00 C ATOM 126 O ARG P 8 -8.328 -2.332 -3.915 1.00 0.00 O ATOM 127 CB ARG P 8 -7.386 0.373 -4.472 1.00 0.00 C ATOM 128 CG ARG P 8 -6.930 -0.016 -5.858 1.00 0.00 C ATOM 129 CD ARG P 8 -7.492 0.939 -6.889 1.00 0.00 C ATOM 130 NE ARG P 8 -7.180 0.534 -8.261 1.00 0.00 N ATOM 131 CZ ARG P 8 -7.546 1.216 -9.357 1.00 0.00 C ATOM 132 NH1 ARG P 8 -8.059 2.447 -9.243 1.00 0.00 N ATOM 133 NH2 ARG P 8 -7.338 0.694 -10.563 1.00 0.00 N ATOM 0 H ARG P 8 -4.932 -1.048 -3.885 1.00 0.00 H new ATOM 0 HA ARG P 8 -7.331 -0.111 -2.430 1.00 0.00 H new ATOM 0 HB2 ARG P 8 -8.476 0.356 -4.449 1.00 0.00 H new ATOM 0 HB3 ARG P 8 -7.079 1.402 -4.283 1.00 0.00 H new ATOM 0 HG2 ARG P 8 -5.841 -0.010 -5.904 1.00 0.00 H new ATOM 0 HG3 ARG P 8 -7.253 -1.033 -6.081 1.00 0.00 H new ATOM 0 HD2 ARG P 8 -8.574 1.001 -6.770 1.00 0.00 H new ATOM 0 HD3 ARG P 8 -7.093 1.937 -6.709 1.00 0.00 H new ATOM 0 HE ARG P 8 -6.648 -0.326 -8.393 1.00 0.00 H new ATOM 0 HH11 ARG P 8 -8.173 2.869 -8.321 1.00 0.00 H new ATOM 0 HH12 ARG P 8 -8.336 2.963 -10.078 1.00 0.00 H new ATOM 0 HH21 ARG P 8 -6.901 -0.223 -10.653 1.00 0.00 H new ATOM 0 HH22 ARG P 8 -7.616 1.211 -11.397 1.00 0.00 H new ATOM 147 N LYS P 9 -6.292 -2.808 -3.082 1.00 0.00 N ATOM 148 CA LYS P 9 -6.399 -4.240 -3.145 1.00 0.00 C ATOM 149 C LYS P 9 -6.363 -4.810 -1.726 1.00 0.00 C ATOM 150 O LYS P 9 -5.288 -5.150 -1.216 1.00 0.00 O ATOM 151 CB LYS P 9 -5.213 -4.862 -3.930 1.00 0.00 C ATOM 152 CG LYS P 9 -5.094 -4.548 -5.425 1.00 0.00 C ATOM 153 CD LYS P 9 -6.211 -5.183 -6.242 1.00 0.00 C ATOM 154 CE LYS P 9 -5.890 -5.178 -7.741 1.00 0.00 C ATOM 155 NZ LYS P 9 -5.637 -3.821 -8.278 1.00 0.00 N ATOM 0 H LYS P 9 -5.409 -2.488 -2.684 1.00 0.00 H new ATOM 0 HA LYS P 9 -7.334 -4.482 -3.650 1.00 0.00 H new ATOM 0 HB2 LYS P 9 -4.289 -4.542 -3.447 1.00 0.00 H new ATOM 0 HB3 LYS P 9 -5.272 -5.945 -3.820 1.00 0.00 H new ATOM 0 HG2 LYS P 9 -5.111 -3.468 -5.569 1.00 0.00 H new ATOM 0 HG3 LYS P 9 -4.131 -4.903 -5.793 1.00 0.00 H new ATOM 0 HD2 LYS P 9 -6.369 -6.208 -5.907 1.00 0.00 H new ATOM 0 HD3 LYS P 9 -7.142 -4.643 -6.067 1.00 0.00 H new ATOM 0 HE2 LYS P 9 -5.015 -5.802 -7.921 1.00 0.00 H new ATOM 0 HE3 LYS P 9 -6.720 -5.628 -8.285 1.00 0.00 H new ATOM 0 HZ1 LYS P 9 -5.510 -3.874 -9.309 1.00 0.00 H new ATOM 0 HZ2 LYS P 9 -6.446 -3.205 -8.060 1.00 0.00 H new ATOM 0 HZ3 LYS P 9 -4.777 -3.430 -7.843 1.00 0.00 H new ATOM 169 N SER P 10 -7.482 -4.826 -1.051 1.00 0.00 N ATOM 170 CA SER P 10 -7.531 -5.469 0.239 1.00 0.00 C ATOM 171 C SER P 10 -7.784 -6.945 -0.008 1.00 0.00 C ATOM 172 O SER P 10 -6.974 -7.797 0.334 1.00 0.00 O ATOM 173 CB SER P 10 -8.589 -4.812 1.124 1.00 0.00 C ATOM 174 OG SER P 10 -9.793 -4.638 0.411 1.00 0.00 O ATOM 0 H SER P 10 -8.359 -4.409 -1.364 1.00 0.00 H new ATOM 0 HA SER P 10 -6.593 -5.359 0.783 1.00 0.00 H new ATOM 0 HB2 SER P 10 -8.768 -5.428 2.005 1.00 0.00 H new ATOM 0 HB3 SER P 10 -8.227 -3.847 1.478 1.00 0.00 H new ATOM 0 HG SER P 10 -10.460 -4.218 0.993 1.00 0.00 H new ATOM 180 N THR P 11 -8.896 -7.231 -0.620 1.00 0.00 N ATOM 181 CA THR P 11 -9.133 -8.532 -1.162 1.00 0.00 C ATOM 182 C THR P 11 -8.893 -8.402 -2.675 1.00 0.00 C ATOM 183 O THR P 11 -8.293 -9.262 -3.327 1.00 0.00 O ATOM 184 CB THR P 11 -10.580 -8.977 -0.894 1.00 0.00 C ATOM 185 OG1 THR P 11 -10.887 -8.767 0.500 1.00 0.00 O ATOM 186 CG2 THR P 11 -10.764 -10.448 -1.226 1.00 0.00 C ATOM 0 H THR P 11 -9.660 -6.570 -0.756 1.00 0.00 H new ATOM 0 HA THR P 11 -8.479 -9.277 -0.708 1.00 0.00 H new ATOM 0 HB THR P 11 -11.248 -8.390 -1.525 1.00 0.00 H new ATOM 0 HG1 THR P 11 -11.809 -9.047 0.678 1.00 0.00 H new ATOM 0 HG21 THR P 11 -11.796 -10.739 -1.028 1.00 0.00 H new ATOM 0 HG22 THR P 11 -10.535 -10.615 -2.279 1.00 0.00 H new ATOM 0 HG23 THR P 11 -10.093 -11.047 -0.610 1.00 0.00 H new ATOM 194 N GLY P 12 -9.331 -7.271 -3.194 1.00 0.00 N ATOM 195 CA GLY P 12 -9.164 -6.934 -4.573 1.00 0.00 C ATOM 196 C GLY P 12 -10.051 -5.776 -4.919 1.00 0.00 C ATOM 197 O GLY P 12 -9.627 -4.803 -5.549 1.00 0.00 O ATOM 0 H GLY P 12 -9.819 -6.558 -2.652 1.00 0.00 H new ATOM 0 HA2 GLY P 12 -8.123 -6.680 -4.772 1.00 0.00 H new ATOM 0 HA3 GLY P 12 -9.408 -7.792 -5.200 1.00 0.00 H new ATOM 201 N GLY P 13 -11.254 -5.859 -4.454 1.00 0.00 N ATOM 202 CA GLY P 13 -12.221 -4.854 -4.690 1.00 0.00 C ATOM 203 C GLY P 13 -13.445 -5.491 -5.220 1.00 0.00 C ATOM 204 O GLY P 13 -13.698 -6.661 -4.862 1.00 0.00 O ATOM 205 OXT GLY P 13 -14.147 -4.882 -6.040 1.00 0.00 O ATOM 0 H GLY P 13 -11.591 -6.641 -3.892 1.00 0.00 H new ATOM 0 HA2 GLY P 13 -12.443 -4.318 -3.767 1.00 0.00 H new ATOM 0 HA3 GLY P 13 -11.839 -4.121 -5.400 1.00 0.00 H new TER 209 GLY P 13 ATOM 210 N GLY A 850 1.620 32.331 -8.255 1.00 0.00 N ATOM 211 CA GLY A 850 1.999 31.997 -6.890 1.00 0.00 C ATOM 212 C GLY A 850 3.190 31.091 -6.890 1.00 0.00 C ATOM 213 O GLY A 850 3.452 30.424 -7.894 1.00 0.00 O ATOM 0 HA2 GLY A 850 2.226 32.907 -6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 850 1.165 31.513 -6.382 1.00 0.00 H new ATOM 219 N SER A 851 3.922 31.059 -5.795 1.00 0.00 N ATOM 220 CA SER A 851 5.091 30.205 -5.678 1.00 0.00 C ATOM 221 C SER A 851 4.656 28.750 -5.607 1.00 0.00 C ATOM 222 O SER A 851 5.298 27.862 -6.177 1.00 0.00 O ATOM 223 CB SER A 851 5.858 30.566 -4.417 1.00 0.00 C ATOM 224 OG SER A 851 6.098 31.961 -4.361 1.00 0.00 O ATOM 0 H SER A 851 3.727 31.619 -4.965 1.00 0.00 H new ATOM 0 HA SER A 851 5.732 30.349 -6.548 1.00 0.00 H new ATOM 0 HB2 SER A 851 5.293 30.253 -3.539 1.00 0.00 H new ATOM 0 HB3 SER A 851 6.805 30.027 -4.394 1.00 0.00 H new ATOM 0 HG SER A 851 6.591 32.175 -3.542 1.00 0.00 H new ATOM 230 N HIS A 852 3.557 28.522 -4.925 1.00 0.00 N ATOM 231 CA HIS A 852 3.039 27.202 -4.771 1.00 0.00 C ATOM 232 C HIS A 852 2.170 26.805 -5.961 1.00 0.00 C ATOM 233 O HIS A 852 1.200 27.494 -6.316 1.00 0.00 O ATOM 234 CB HIS A 852 2.299 27.007 -3.401 1.00 0.00 C ATOM 235 CG HIS A 852 1.114 27.926 -3.109 1.00 0.00 C ATOM 236 ND1 HIS A 852 1.169 28.875 -2.108 1.00 0.00 N ATOM 237 CD2 HIS A 852 -0.123 27.961 -3.670 1.00 0.00 C ATOM 238 CE1 HIS A 852 -0.030 29.455 -2.092 1.00 0.00 C ATOM 239 NE2 HIS A 852 -0.832 28.935 -3.011 1.00 0.00 N ATOM 0 H HIS A 852 3.007 29.249 -4.467 1.00 0.00 H new ATOM 0 HA HIS A 852 3.891 26.522 -4.753 1.00 0.00 H new ATOM 0 HB2 HIS A 852 1.947 25.977 -3.351 1.00 0.00 H new ATOM 0 HB3 HIS A 852 3.029 27.134 -2.602 1.00 0.00 H new ATOM 0 HD2 HIS A 852 -0.480 27.341 -4.479 1.00 0.00 H new ATOM 0 HE1 HIS A 852 -0.313 30.248 -1.416 1.00 0.00 H new ATOM 0 HE2 HIS A 852 -1.797 29.208 -3.195 1.00 0.00 H new ATOM 247 N MET A 853 2.553 25.734 -6.606 1.00 0.00 N ATOM 248 CA MET A 853 1.756 25.158 -7.675 1.00 0.00 C ATOM 249 C MET A 853 0.638 24.390 -6.998 1.00 0.00 C ATOM 250 O MET A 853 -0.488 24.286 -7.487 1.00 0.00 O ATOM 251 CB MET A 853 2.612 24.214 -8.519 1.00 0.00 C ATOM 252 CG MET A 853 1.898 23.619 -9.721 1.00 0.00 C ATOM 253 SD MET A 853 2.936 22.442 -10.604 1.00 0.00 S ATOM 254 CE MET A 853 1.869 22.017 -11.983 1.00 0.00 C ATOM 0 H MET A 853 3.420 25.233 -6.412 1.00 0.00 H new ATOM 0 HA MET A 853 1.364 25.927 -8.341 1.00 0.00 H new ATOM 0 HB2 MET A 853 3.492 24.755 -8.867 1.00 0.00 H new ATOM 0 HB3 MET A 853 2.967 23.402 -7.885 1.00 0.00 H new ATOM 0 HG2 MET A 853 0.985 23.122 -9.392 1.00 0.00 H new ATOM 0 HG3 MET A 853 1.599 24.419 -10.398 1.00 0.00 H new ATOM 0 HE1 MET A 853 2.373 21.294 -12.624 1.00 0.00 H new ATOM 0 HE2 MET A 853 0.942 21.584 -11.606 1.00 0.00 H new ATOM 0 HE3 MET A 853 1.642 22.915 -12.558 1.00 0.00 H new ATOM 264 N ALA A 854 0.984 23.876 -5.855 1.00 0.00 N ATOM 265 CA ALA A 854 0.100 23.221 -4.958 1.00 0.00 C ATOM 266 C ALA A 854 0.532 23.670 -3.589 1.00 0.00 C ATOM 267 O ALA A 854 1.727 23.813 -3.356 1.00 0.00 O ATOM 268 CB ALA A 854 0.214 21.706 -5.093 1.00 0.00 C ATOM 0 H ALA A 854 1.944 23.908 -5.512 1.00 0.00 H new ATOM 0 HA ALA A 854 -0.942 23.468 -5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.473 21.226 -4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -0.038 21.411 -6.112 1.00 0.00 H new ATOM 0 HB3 ALA A 854 1.235 21.396 -4.868 1.00 0.00 H new ATOM 274 N MET A 855 -0.407 23.936 -2.705 1.00 0.00 N ATOM 275 CA MET A 855 -0.068 24.409 -1.350 1.00 0.00 C ATOM 276 C MET A 855 0.593 23.316 -0.582 1.00 0.00 C ATOM 277 O MET A 855 1.430 23.536 0.302 1.00 0.00 O ATOM 278 CB MET A 855 -1.300 24.903 -0.609 1.00 0.00 C ATOM 279 CG MET A 855 -1.970 26.100 -1.247 1.00 0.00 C ATOM 280 SD MET A 855 -3.448 26.620 -0.364 1.00 0.00 S ATOM 281 CE MET A 855 -2.769 26.991 1.249 1.00 0.00 C ATOM 0 H MET A 855 -1.407 23.839 -2.884 1.00 0.00 H new ATOM 0 HA MET A 855 0.620 25.249 -1.447 1.00 0.00 H new ATOM 0 HB2 MET A 855 -2.022 24.089 -0.544 1.00 0.00 H new ATOM 0 HB3 MET A 855 -1.017 25.160 0.412 1.00 0.00 H new ATOM 0 HG2 MET A 855 -1.264 26.929 -1.285 1.00 0.00 H new ATOM 0 HG3 MET A 855 -2.233 25.858 -2.277 1.00 0.00 H new ATOM 0 HE1 MET A 855 -3.462 27.629 1.797 1.00 0.00 H new ATOM 0 HE2 MET A 855 -2.615 26.064 1.801 1.00 0.00 H new ATOM 0 HE3 MET A 855 -1.815 27.506 1.133 1.00 0.00 H new ATOM 291 N ALA A 856 0.214 22.176 -0.960 1.00 0.00 N ATOM 292 CA ALA A 856 0.665 20.934 -0.460 1.00 0.00 C ATOM 293 C ALA A 856 0.242 19.916 -1.461 1.00 0.00 C ATOM 294 O ALA A 856 -0.834 20.053 -2.056 1.00 0.00 O ATOM 295 CB ALA A 856 0.022 20.633 0.879 1.00 0.00 C ATOM 0 H ALA A 856 -0.484 22.064 -1.695 1.00 0.00 H new ATOM 0 HA ALA A 856 1.745 20.937 -0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 856 0.382 19.672 1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 856 0.282 21.416 1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 856 -1.061 20.594 0.762 1.00 0.00 H new ATOM 301 N TYR A 857 1.045 18.932 -1.691 1.00 0.00 N ATOM 302 CA TYR A 857 0.686 17.892 -2.620 1.00 0.00 C ATOM 303 C TYR A 857 -0.145 16.817 -1.939 1.00 0.00 C ATOM 304 O TYR A 857 0.262 15.663 -1.784 1.00 0.00 O ATOM 305 CB TYR A 857 1.894 17.319 -3.322 1.00 0.00 C ATOM 306 CG TYR A 857 2.526 18.253 -4.345 1.00 0.00 C ATOM 307 CD1 TYR A 857 3.429 19.233 -3.963 1.00 0.00 C ATOM 308 CD2 TYR A 857 2.211 18.151 -5.693 1.00 0.00 C ATOM 309 CE1 TYR A 857 4.000 20.077 -4.886 1.00 0.00 C ATOM 310 CE2 TYR A 857 2.782 18.995 -6.628 1.00 0.00 C ATOM 311 CZ TYR A 857 3.678 19.959 -6.215 1.00 0.00 C ATOM 312 OH TYR A 857 4.257 20.806 -7.133 1.00 0.00 O ATOM 0 H TYR A 857 1.958 18.818 -1.252 1.00 0.00 H new ATOM 0 HA TYR A 857 0.066 18.342 -3.395 1.00 0.00 H new ATOM 0 HB2 TYR A 857 2.643 17.057 -2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 857 1.605 16.394 -3.821 1.00 0.00 H new ATOM 0 HD1 TYR A 857 3.689 19.336 -2.920 1.00 0.00 H new ATOM 0 HD2 TYR A 857 1.507 17.399 -6.018 1.00 0.00 H new ATOM 0 HE1 TYR A 857 4.702 20.833 -4.565 1.00 0.00 H new ATOM 0 HE2 TYR A 857 2.528 18.900 -7.673 1.00 0.00 H new ATOM 0 HH TYR A 857 3.925 20.592 -8.030 1.00 0.00 H new ATOM 322 N VAL A 858 -1.270 17.254 -1.470 1.00 0.00 N ATOM 323 CA VAL A 858 -2.266 16.451 -0.785 1.00 0.00 C ATOM 324 C VAL A 858 -3.612 17.036 -1.115 1.00 0.00 C ATOM 325 O VAL A 858 -3.819 18.239 -0.949 1.00 0.00 O ATOM 326 CB VAL A 858 -2.149 16.487 0.789 1.00 0.00 C ATOM 327 CG1 VAL A 858 -3.207 15.599 1.440 1.00 0.00 C ATOM 328 CG2 VAL A 858 -0.778 16.089 1.289 1.00 0.00 C ATOM 0 H VAL A 858 -1.546 18.233 -1.553 1.00 0.00 H new ATOM 0 HA VAL A 858 -2.123 15.421 -1.111 1.00 0.00 H new ATOM 0 HB VAL A 858 -2.316 17.525 1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 858 -3.102 15.643 2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 858 -4.200 15.948 1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 858 -3.075 14.570 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 858 -0.761 16.133 2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 858 -0.553 15.073 0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 858 -0.031 16.773 0.886 1.00 0.00 H new ATOM 338 N ILE A 859 -4.493 16.233 -1.598 1.00 0.00 N ATOM 339 CA ILE A 859 -5.847 16.648 -1.816 1.00 0.00 C ATOM 340 C ILE A 859 -6.723 15.648 -1.115 1.00 0.00 C ATOM 341 O ILE A 859 -6.237 14.623 -0.662 1.00 0.00 O ATOM 342 CB ILE A 859 -6.245 16.716 -3.329 1.00 0.00 C ATOM 343 CG1 ILE A 859 -6.135 15.330 -3.998 1.00 0.00 C ATOM 344 CG2 ILE A 859 -5.401 17.756 -4.071 1.00 0.00 C ATOM 345 CD1 ILE A 859 -6.589 15.291 -5.448 1.00 0.00 C ATOM 0 H ILE A 859 -4.301 15.265 -1.856 1.00 0.00 H new ATOM 0 HA ILE A 859 -5.967 17.660 -1.430 1.00 0.00 H new ATOM 0 HB ILE A 859 -7.288 17.028 -3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 859 -5.098 14.997 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 859 -6.728 14.617 -3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 859 -5.697 17.784 -5.120 1.00 0.00 H new ATOM 0 HG22 ILE A 859 -5.557 18.738 -3.624 1.00 0.00 H new ATOM 0 HG23 ILE A 859 -4.347 17.488 -3.998 1.00 0.00 H new ATOM 0 HD11 ILE A 859 -6.477 14.279 -5.837 1.00 0.00 H new ATOM 0 HD12 ILE A 859 -7.635 15.590 -5.510 1.00 0.00 H new ATOM 0 HD13 ILE A 859 -5.981 15.976 -6.038 1.00 0.00 H new ATOM 357 N ARG A 860 -7.960 15.934 -0.976 1.00 0.00 N ATOM 358 CA ARG A 860 -8.868 14.988 -0.420 1.00 0.00 C ATOM 359 C ARG A 860 -9.811 14.558 -1.478 1.00 0.00 C ATOM 360 O ARG A 860 -10.201 15.359 -2.332 1.00 0.00 O ATOM 361 CB ARG A 860 -9.614 15.572 0.763 1.00 0.00 C ATOM 362 CG ARG A 860 -8.728 15.795 1.957 1.00 0.00 C ATOM 363 CD ARG A 860 -9.472 16.488 3.071 1.00 0.00 C ATOM 364 NE ARG A 860 -8.630 16.746 4.238 1.00 0.00 N ATOM 365 CZ ARG A 860 -8.636 17.886 4.946 1.00 0.00 C ATOM 366 NH1 ARG A 860 -9.449 18.887 4.603 1.00 0.00 N ATOM 367 NH2 ARG A 860 -7.843 18.015 5.998 1.00 0.00 N ATOM 0 H ARG A 860 -8.379 16.825 -1.241 1.00 0.00 H new ATOM 0 HA ARG A 860 -8.310 14.127 -0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 860 -10.066 16.519 0.470 1.00 0.00 H new ATOM 0 HB3 ARG A 860 -10.428 14.902 1.040 1.00 0.00 H new ATOM 0 HG2 ARG A 860 -8.346 14.838 2.313 1.00 0.00 H new ATOM 0 HG3 ARG A 860 -7.865 16.394 1.665 1.00 0.00 H new ATOM 0 HD2 ARG A 860 -9.873 17.432 2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 860 -10.322 15.875 3.370 1.00 0.00 H new ATOM 0 HE ARG A 860 -7.993 16.007 4.535 1.00 0.00 H new ATOM 0 HH11 ARG A 860 -10.070 18.788 3.800 1.00 0.00 H new ATOM 0 HH12 ARG A 860 -9.450 19.752 5.144 1.00 0.00 H new ATOM 0 HH21 ARG A 860 -7.228 17.248 6.270 1.00 0.00 H new ATOM 0 HH22 ARG A 860 -7.847 18.881 6.537 1.00 0.00 H new ATOM 381 N ASP A 861 -10.139 13.311 -1.484 1.00 0.00 N ATOM 382 CA ASP A 861 -11.096 12.828 -2.444 1.00 0.00 C ATOM 383 C ASP A 861 -12.474 12.925 -1.794 1.00 0.00 C ATOM 384 O ASP A 861 -12.582 13.447 -0.665 1.00 0.00 O ATOM 385 CB ASP A 861 -10.776 11.390 -2.855 1.00 0.00 C ATOM 386 CG ASP A 861 -11.283 11.064 -4.251 1.00 0.00 C ATOM 387 OD1 ASP A 861 -12.498 10.969 -4.449 1.00 0.00 O ATOM 388 OD2 ASP A 861 -10.459 10.914 -5.170 1.00 0.00 O ATOM 0 H ASP A 861 -9.768 12.607 -0.846 1.00 0.00 H new ATOM 0 HA ASP A 861 -11.065 13.426 -3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 861 -9.698 11.235 -2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 861 -11.223 10.701 -2.138 1.00 0.00 H new ATOM 393 N GLU A 862 -13.497 12.390 -2.436 1.00 0.00 N ATOM 394 CA GLU A 862 -14.876 12.465 -1.941 1.00 0.00 C ATOM 395 C GLU A 862 -15.019 11.747 -0.598 1.00 0.00 C ATOM 396 O GLU A 862 -15.878 12.088 0.231 1.00 0.00 O ATOM 397 CB GLU A 862 -15.853 11.861 -2.968 1.00 0.00 C ATOM 398 CG GLU A 862 -15.619 10.386 -3.265 1.00 0.00 C ATOM 399 CD GLU A 862 -16.625 9.809 -4.231 1.00 0.00 C ATOM 400 OE1 GLU A 862 -17.702 9.338 -3.789 1.00 0.00 O ATOM 401 OE2 GLU A 862 -16.362 9.809 -5.449 1.00 0.00 O ATOM 0 H GLU A 862 -13.403 11.888 -3.319 1.00 0.00 H new ATOM 0 HA GLU A 862 -15.121 13.517 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -16.872 11.988 -2.601 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -15.777 12.423 -3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -14.617 10.259 -3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -15.656 9.823 -2.332 1.00 0.00 H new ATOM 408 N TRP A 863 -14.138 10.781 -0.382 1.00 0.00 N ATOM 409 CA TRP A 863 -14.140 9.952 0.814 1.00 0.00 C ATOM 410 C TRP A 863 -13.552 10.699 1.996 1.00 0.00 C ATOM 411 O TRP A 863 -13.594 10.221 3.120 1.00 0.00 O ATOM 412 CB TRP A 863 -13.338 8.672 0.570 1.00 0.00 C ATOM 413 CG TRP A 863 -13.701 7.990 -0.691 1.00 0.00 C ATOM 414 CD1 TRP A 863 -14.906 7.509 -1.016 1.00 0.00 C ATOM 415 CD2 TRP A 863 -12.839 7.714 -1.796 1.00 0.00 C ATOM 416 NE1 TRP A 863 -14.874 6.964 -2.275 1.00 0.00 N ATOM 417 CE2 TRP A 863 -13.610 7.073 -2.774 1.00 0.00 C ATOM 418 CE3 TRP A 863 -11.495 7.955 -2.051 1.00 0.00 C ATOM 419 CZ2 TRP A 863 -13.082 6.666 -3.994 1.00 0.00 C ATOM 420 CZ3 TRP A 863 -10.963 7.551 -3.261 1.00 0.00 C ATOM 421 CH2 TRP A 863 -11.758 6.913 -4.219 1.00 0.00 C ATOM 0 H TRP A 863 -13.394 10.548 -1.040 1.00 0.00 H new ATOM 0 HA TRP A 863 -15.175 9.696 1.043 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -12.275 8.914 0.552 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -13.495 7.988 1.404 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -15.778 7.544 -0.380 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -15.668 6.545 -2.759 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -10.876 8.449 -1.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -13.695 6.174 -4.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -9.919 7.730 -3.470 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -11.315 6.609 -5.156 1.00 0.00 H new ATOM 432 N GLY A 864 -12.948 11.852 1.726 1.00 0.00 N ATOM 433 CA GLY A 864 -12.369 12.648 2.782 1.00 0.00 C ATOM 434 C GLY A 864 -10.966 12.209 3.095 1.00 0.00 C ATOM 435 O GLY A 864 -10.285 12.808 3.927 1.00 0.00 O ATOM 0 H GLY A 864 -12.851 12.246 0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 864 -12.366 13.698 2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 864 -12.985 12.569 3.678 1.00 0.00 H new ATOM 439 N ASN A 865 -10.538 11.179 2.410 1.00 0.00 N ATOM 440 CA ASN A 865 -9.218 10.616 2.581 1.00 0.00 C ATOM 441 C ASN A 865 -8.209 11.447 1.860 1.00 0.00 C ATOM 442 O ASN A 865 -8.513 12.022 0.793 1.00 0.00 O ATOM 443 CB ASN A 865 -9.153 9.162 2.078 1.00 0.00 C ATOM 444 CG ASN A 865 -9.996 8.209 2.901 1.00 0.00 C ATOM 445 OD1 ASN A 865 -10.194 8.414 4.099 1.00 0.00 O ATOM 446 ND2 ASN A 865 -10.481 7.157 2.284 1.00 0.00 N ATOM 0 H ASN A 865 -11.102 10.700 1.708 1.00 0.00 H new ATOM 0 HA ASN A 865 -8.994 10.614 3.648 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -9.485 9.128 1.040 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -8.116 8.825 2.092 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -11.042 6.478 2.798 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -10.297 7.019 1.290 1.00 0.00 H new ATOM 453 N GLN A 866 -7.042 11.536 2.438 1.00 0.00 N ATOM 454 CA GLN A 866 -5.954 12.271 1.865 1.00 0.00 C ATOM 455 C GLN A 866 -5.365 11.511 0.715 1.00 0.00 C ATOM 456 O GLN A 866 -5.037 10.332 0.828 1.00 0.00 O ATOM 457 CB GLN A 866 -4.874 12.545 2.893 1.00 0.00 C ATOM 458 CG GLN A 866 -5.303 13.438 4.017 1.00 0.00 C ATOM 459 CD GLN A 866 -4.227 13.583 5.068 1.00 0.00 C ATOM 460 OE1 GLN A 866 -4.148 12.799 6.007 1.00 0.00 O ATOM 461 NE2 GLN A 866 -3.428 14.607 4.953 1.00 0.00 N ATOM 0 H GLN A 866 -6.820 11.094 3.330 1.00 0.00 H new ATOM 0 HA GLN A 866 -6.347 13.224 1.512 1.00 0.00 H new ATOM 0 HB2 GLN A 866 -4.535 11.596 3.308 1.00 0.00 H new ATOM 0 HB3 GLN A 866 -4.018 12.997 2.392 1.00 0.00 H new ATOM 0 HG2 GLN A 866 -5.558 14.421 3.622 1.00 0.00 H new ATOM 0 HG3 GLN A 866 -6.206 13.035 4.476 1.00 0.00 H new ATOM 0 HE21 GLN A 866 -3.521 15.240 4.159 1.00 0.00 H new ATOM 0 HE22 GLN A 866 -2.710 14.775 5.657 1.00 0.00 H new ATOM 470 N ILE A 867 -5.273 12.175 -0.370 1.00 0.00 N ATOM 471 CA ILE A 867 -4.698 11.658 -1.557 1.00 0.00 C ATOM 472 C ILE A 867 -3.436 12.440 -1.786 1.00 0.00 C ATOM 473 O ILE A 867 -3.484 13.652 -2.043 1.00 0.00 O ATOM 474 CB ILE A 867 -5.627 11.858 -2.787 1.00 0.00 C ATOM 475 CG1 ILE A 867 -7.030 11.251 -2.558 1.00 0.00 C ATOM 476 CG2 ILE A 867 -4.984 11.297 -4.053 1.00 0.00 C ATOM 477 CD1 ILE A 867 -7.053 9.758 -2.276 1.00 0.00 C ATOM 0 H ILE A 867 -5.609 13.134 -0.464 1.00 0.00 H new ATOM 0 HA ILE A 867 -4.525 10.588 -1.445 1.00 0.00 H new ATOM 0 HB ILE A 867 -5.761 12.931 -2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 867 -7.500 11.769 -1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 867 -7.641 11.447 -3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 867 -5.654 11.449 -4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 867 -4.041 11.810 -4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 867 -4.798 10.231 -3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -8.083 9.431 -2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -6.618 9.222 -3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -6.475 9.549 -1.376 1.00 0.00 H new ATOM 489 N TRP A 868 -2.331 11.800 -1.626 1.00 0.00 N ATOM 490 CA TRP A 868 -1.073 12.443 -1.848 1.00 0.00 C ATOM 491 C TRP A 868 -0.802 12.540 -3.320 1.00 0.00 C ATOM 492 O TRP A 868 -1.080 11.609 -4.079 1.00 0.00 O ATOM 493 CB TRP A 868 0.071 11.738 -1.107 1.00 0.00 C ATOM 494 CG TRP A 868 0.102 12.022 0.372 1.00 0.00 C ATOM 495 CD1 TRP A 868 0.923 12.906 1.008 1.00 0.00 C ATOM 496 CD2 TRP A 868 -0.723 11.441 1.401 1.00 0.00 C ATOM 497 NE1 TRP A 868 0.669 12.907 2.361 1.00 0.00 N ATOM 498 CE2 TRP A 868 -0.334 12.023 2.627 1.00 0.00 C ATOM 499 CE3 TRP A 868 -1.750 10.487 1.408 1.00 0.00 C ATOM 500 CZ2 TRP A 868 -0.932 11.684 3.836 1.00 0.00 C ATOM 501 CZ3 TRP A 868 -2.340 10.154 2.613 1.00 0.00 C ATOM 502 CH2 TRP A 868 -1.930 10.753 3.809 1.00 0.00 C ATOM 0 H TRP A 868 -2.268 10.823 -1.340 1.00 0.00 H new ATOM 0 HA TRP A 868 -1.129 13.451 -1.438 1.00 0.00 H new ATOM 0 HB2 TRP A 868 -0.018 10.662 -1.259 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.020 12.045 -1.547 1.00 0.00 H new ATOM 0 HD1 TRP A 868 1.667 13.518 0.520 1.00 0.00 H new ATOM 0 HE1 TRP A 868 1.154 13.478 3.054 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -2.074 10.021 0.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 -0.618 12.141 4.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -3.131 9.419 2.631 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -2.414 10.472 4.733 1.00 0.00 H new ATOM 513 N ILE A 869 -0.347 13.671 -3.727 1.00 0.00 N ATOM 514 CA ILE A 869 -0.009 13.908 -5.092 1.00 0.00 C ATOM 515 C ILE A 869 1.488 13.794 -5.187 1.00 0.00 C ATOM 516 O ILE A 869 2.184 14.359 -4.365 1.00 0.00 O ATOM 517 CB ILE A 869 -0.453 15.334 -5.562 1.00 0.00 C ATOM 518 CG1 ILE A 869 -1.944 15.593 -5.257 1.00 0.00 C ATOM 519 CG2 ILE A 869 -0.171 15.539 -7.051 1.00 0.00 C ATOM 520 CD1 ILE A 869 -2.901 14.639 -5.931 1.00 0.00 C ATOM 0 H ILE A 869 -0.195 14.473 -3.115 1.00 0.00 H new ATOM 0 HA ILE A 869 -0.520 13.188 -5.731 1.00 0.00 H new ATOM 0 HB ILE A 869 0.137 16.056 -4.998 1.00 0.00 H new ATOM 0 HG12 ILE A 869 -2.095 15.537 -4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 869 -2.192 16.610 -5.561 1.00 0.00 H new ATOM 0 HG21 ILE A 869 -0.490 16.538 -7.348 1.00 0.00 H new ATOM 0 HG22 ILE A 869 0.897 15.429 -7.238 1.00 0.00 H new ATOM 0 HG23 ILE A 869 -0.719 14.796 -7.631 1.00 0.00 H new ATOM 0 HD11 ILE A 869 -3.924 14.897 -5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 869 -2.784 14.710 -7.012 1.00 0.00 H new ATOM 0 HD13 ILE A 869 -2.686 13.620 -5.609 1.00 0.00 H new ATOM 532 N CYS A 870 1.971 13.041 -6.140 1.00 0.00 N ATOM 533 CA CYS A 870 3.377 12.882 -6.308 1.00 0.00 C ATOM 534 C CYS A 870 3.927 14.127 -6.999 1.00 0.00 C ATOM 535 O CYS A 870 3.566 14.416 -8.152 1.00 0.00 O ATOM 536 CB CYS A 870 3.652 11.619 -7.147 1.00 0.00 C ATOM 537 SG CYS A 870 5.402 11.209 -7.467 1.00 0.00 S ATOM 0 H CYS A 870 1.400 12.528 -6.812 1.00 0.00 H new ATOM 0 HA CYS A 870 3.869 12.764 -5.343 1.00 0.00 H new ATOM 0 HB2 CYS A 870 3.191 10.769 -6.644 1.00 0.00 H new ATOM 0 HB3 CYS A 870 3.149 11.733 -8.107 1.00 0.00 H new ATOM 542 N PRO A 871 4.797 14.887 -6.326 1.00 0.00 N ATOM 543 CA PRO A 871 5.404 16.096 -6.889 1.00 0.00 C ATOM 544 C PRO A 871 6.388 15.781 -8.033 1.00 0.00 C ATOM 545 O PRO A 871 7.018 16.681 -8.608 1.00 0.00 O ATOM 546 CB PRO A 871 6.151 16.720 -5.700 1.00 0.00 C ATOM 547 CG PRO A 871 5.611 16.034 -4.496 1.00 0.00 C ATOM 548 CD PRO A 871 5.232 14.664 -4.935 1.00 0.00 C ATOM 0 HA PRO A 871 4.654 16.754 -7.328 1.00 0.00 H new ATOM 0 HB2 PRO A 871 7.227 16.570 -5.789 1.00 0.00 H new ATOM 0 HB3 PRO A 871 5.982 17.796 -5.649 1.00 0.00 H new ATOM 0 HG2 PRO A 871 6.357 15.996 -3.702 1.00 0.00 H new ATOM 0 HG3 PRO A 871 4.748 16.568 -4.098 1.00 0.00 H new ATOM 0 HD2 PRO A 871 6.072 13.972 -4.878 1.00 0.00 H new ATOM 0 HD3 PRO A 871 4.433 14.247 -4.321 1.00 0.00 H new ATOM 556 N GLY A 872 6.541 14.511 -8.344 1.00 0.00 N ATOM 557 CA GLY A 872 7.398 14.120 -9.423 1.00 0.00 C ATOM 558 C GLY A 872 6.670 14.124 -10.754 1.00 0.00 C ATOM 559 O GLY A 872 7.225 14.531 -11.779 1.00 0.00 O ATOM 0 H GLY A 872 6.081 13.740 -7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 872 8.250 14.798 -9.473 1.00 0.00 H new ATOM 0 HA3 GLY A 872 7.794 13.123 -9.229 1.00 0.00 H new ATOM 563 N CYS A 873 5.424 13.709 -10.750 1.00 0.00 N ATOM 564 CA CYS A 873 4.670 13.578 -11.980 1.00 0.00 C ATOM 565 C CYS A 873 3.421 14.461 -11.998 1.00 0.00 C ATOM 566 O CYS A 873 2.835 14.680 -13.065 1.00 0.00 O ATOM 567 CB CYS A 873 4.261 12.141 -12.081 1.00 0.00 C ATOM 568 SG CYS A 873 3.457 11.583 -10.574 1.00 0.00 S ATOM 0 H CYS A 873 4.908 13.455 -9.907 1.00 0.00 H new ATOM 0 HA CYS A 873 5.290 13.896 -12.818 1.00 0.00 H new ATOM 0 HB2 CYS A 873 3.584 12.012 -12.926 1.00 0.00 H new ATOM 0 HB3 CYS A 873 5.138 11.524 -12.278 1.00 0.00 H new ATOM 573 N ASN A 874 3.007 14.925 -10.803 1.00 0.00 N ATOM 574 CA ASN A 874 1.776 15.727 -10.605 1.00 0.00 C ATOM 575 C ASN A 874 0.542 14.786 -10.672 1.00 0.00 C ATOM 576 O ASN A 874 -0.620 15.208 -10.784 1.00 0.00 O ATOM 577 CB ASN A 874 1.718 16.937 -11.604 1.00 0.00 C ATOM 578 CG ASN A 874 0.508 17.858 -11.470 1.00 0.00 C ATOM 579 OD1 ASN A 874 -0.515 17.662 -12.126 1.00 0.00 O ATOM 580 ND2 ASN A 874 0.624 18.882 -10.661 1.00 0.00 N ATOM 0 H ASN A 874 3.520 14.754 -9.938 1.00 0.00 H new ATOM 0 HA ASN A 874 1.777 16.185 -9.616 1.00 0.00 H new ATOM 0 HB2 ASN A 874 2.620 17.534 -11.473 1.00 0.00 H new ATOM 0 HB3 ASN A 874 1.740 16.545 -12.621 1.00 0.00 H new ATOM 0 HD21 ASN A 874 -0.146 19.543 -10.562 1.00 0.00 H new ATOM 0 HD22 ASN A 874 1.484 19.018 -10.130 1.00 0.00 H new ATOM 587 N LYS A 875 0.809 13.498 -10.550 1.00 0.00 N ATOM 588 CA LYS A 875 -0.225 12.497 -10.543 1.00 0.00 C ATOM 589 C LYS A 875 -0.482 12.053 -9.102 1.00 0.00 C ATOM 590 O LYS A 875 0.452 11.968 -8.293 1.00 0.00 O ATOM 591 CB LYS A 875 0.182 11.303 -11.409 1.00 0.00 C ATOM 592 CG LYS A 875 0.513 11.685 -12.838 1.00 0.00 C ATOM 593 CD LYS A 875 1.021 10.497 -13.632 1.00 0.00 C ATOM 594 CE LYS A 875 1.510 10.907 -15.013 1.00 0.00 C ATOM 595 NZ LYS A 875 0.453 11.528 -15.833 1.00 0.00 N ATOM 0 H LYS A 875 1.753 13.123 -10.453 1.00 0.00 H new ATOM 0 HA LYS A 875 -1.140 12.918 -10.959 1.00 0.00 H new ATOM 0 HB2 LYS A 875 1.048 10.816 -10.960 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -0.628 10.573 -11.413 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -0.375 12.093 -13.321 1.00 0.00 H new ATOM 0 HG3 LYS A 875 1.266 12.473 -12.839 1.00 0.00 H new ATOM 0 HD2 LYS A 875 1.833 10.016 -13.087 1.00 0.00 H new ATOM 0 HD3 LYS A 875 0.224 9.760 -13.733 1.00 0.00 H new ATOM 0 HE2 LYS A 875 2.339 11.607 -14.907 1.00 0.00 H new ATOM 0 HE3 LYS A 875 1.897 10.030 -15.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 0.818 11.710 -16.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -0.364 10.887 -15.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 0.159 12.426 -15.398 1.00 0.00 H new ATOM 609 N PRO A 876 -1.737 11.797 -8.760 1.00 0.00 N ATOM 610 CA PRO A 876 -2.135 11.397 -7.410 1.00 0.00 C ATOM 611 C PRO A 876 -1.846 9.937 -7.105 1.00 0.00 C ATOM 612 O PRO A 876 -1.644 9.113 -8.015 1.00 0.00 O ATOM 613 CB PRO A 876 -3.644 11.612 -7.435 1.00 0.00 C ATOM 614 CG PRO A 876 -4.012 11.315 -8.830 1.00 0.00 C ATOM 615 CD PRO A 876 -2.897 11.884 -9.662 1.00 0.00 C ATOM 0 HA PRO A 876 -1.592 11.959 -6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 876 -4.155 10.950 -6.736 1.00 0.00 H new ATOM 0 HB3 PRO A 876 -3.908 12.633 -7.159 1.00 0.00 H new ATOM 0 HG2 PRO A 876 -4.114 10.242 -8.990 1.00 0.00 H new ATOM 0 HG3 PRO A 876 -4.968 11.769 -9.090 1.00 0.00 H new ATOM 0 HD2 PRO A 876 -2.742 11.311 -10.576 1.00 0.00 H new ATOM 0 HD3 PRO A 876 -3.100 12.912 -9.961 1.00 0.00 H new ATOM 623 N ASP A 877 -1.810 9.631 -5.837 1.00 0.00 N ATOM 624 CA ASP A 877 -1.682 8.267 -5.379 1.00 0.00 C ATOM 625 C ASP A 877 -2.998 7.576 -5.622 1.00 0.00 C ATOM 626 O ASP A 877 -4.053 8.049 -5.200 1.00 0.00 O ATOM 627 CB ASP A 877 -1.297 8.186 -3.888 1.00 0.00 C ATOM 628 CG ASP A 877 -1.175 6.751 -3.370 1.00 0.00 C ATOM 629 OD1 ASP A 877 -1.094 5.795 -4.186 1.00 0.00 O ATOM 630 OD2 ASP A 877 -1.140 6.570 -2.144 1.00 0.00 O ATOM 0 H ASP A 877 -1.868 10.320 -5.087 1.00 0.00 H new ATOM 0 HA ASP A 877 -0.878 7.779 -5.930 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -0.348 8.701 -3.737 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -2.045 8.715 -3.298 1.00 0.00 H new ATOM 635 N ASP A 878 -2.928 6.505 -6.324 1.00 0.00 N ATOM 636 CA ASP A 878 -4.098 5.749 -6.741 1.00 0.00 C ATOM 637 C ASP A 878 -4.276 4.547 -5.833 1.00 0.00 C ATOM 638 O ASP A 878 -5.309 3.866 -5.843 1.00 0.00 O ATOM 639 CB ASP A 878 -3.895 5.301 -8.196 1.00 0.00 C ATOM 640 CG ASP A 878 -5.003 4.437 -8.749 1.00 0.00 C ATOM 641 OD1 ASP A 878 -6.043 4.988 -9.162 1.00 0.00 O ATOM 642 OD2 ASP A 878 -4.815 3.203 -8.850 1.00 0.00 O ATOM 0 H ASP A 878 -2.046 6.103 -6.642 1.00 0.00 H new ATOM 0 HA ASP A 878 -4.994 6.366 -6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -3.795 6.186 -8.824 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -2.956 4.753 -8.266 1.00 0.00 H new ATOM 647 N GLY A 879 -3.304 4.345 -5.005 1.00 0.00 N ATOM 648 CA GLY A 879 -3.249 3.189 -4.198 1.00 0.00 C ATOM 649 C GLY A 879 -2.002 2.441 -4.539 1.00 0.00 C ATOM 650 O GLY A 879 -1.985 1.216 -4.603 1.00 0.00 O ATOM 0 H GLY A 879 -2.523 4.988 -4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -3.252 3.462 -3.143 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -4.126 2.564 -4.369 1.00 0.00 H new ATOM 654 N SER A 880 -0.963 3.172 -4.741 1.00 0.00 N ATOM 655 CA SER A 880 0.269 2.637 -5.202 1.00 0.00 C ATOM 656 C SER A 880 1.271 2.505 -4.050 1.00 0.00 C ATOM 657 O SER A 880 1.013 2.976 -2.925 1.00 0.00 O ATOM 658 CB SER A 880 0.817 3.588 -6.263 1.00 0.00 C ATOM 659 OG SER A 880 -0.115 3.775 -7.329 1.00 0.00 O ATOM 0 H SER A 880 -0.946 4.180 -4.587 1.00 0.00 H new ATOM 0 HA SER A 880 0.111 1.642 -5.617 1.00 0.00 H new ATOM 0 HB2 SER A 880 1.047 4.551 -5.806 1.00 0.00 H new ATOM 0 HB3 SER A 880 1.752 3.192 -6.660 1.00 0.00 H new ATOM 0 HG SER A 880 0.264 4.390 -7.991 1.00 0.00 H new ATOM 665 N PRO A 881 2.383 1.774 -4.271 1.00 0.00 N ATOM 666 CA PRO A 881 3.501 1.780 -3.350 1.00 0.00 C ATOM 667 C PRO A 881 4.215 3.120 -3.475 1.00 0.00 C ATOM 668 O PRO A 881 4.514 3.573 -4.585 1.00 0.00 O ATOM 669 CB PRO A 881 4.392 0.627 -3.843 1.00 0.00 C ATOM 670 CG PRO A 881 3.522 -0.158 -4.753 1.00 0.00 C ATOM 671 CD PRO A 881 2.624 0.848 -5.389 1.00 0.00 C ATOM 0 HA PRO A 881 3.223 1.653 -2.304 1.00 0.00 H new ATOM 0 HB2 PRO A 881 5.273 1.002 -4.363 1.00 0.00 H new ATOM 0 HB3 PRO A 881 4.748 0.018 -3.012 1.00 0.00 H new ATOM 0 HG2 PRO A 881 4.110 -0.690 -5.500 1.00 0.00 H new ATOM 0 HG3 PRO A 881 2.950 -0.907 -4.205 1.00 0.00 H new ATOM 0 HD2 PRO A 881 3.098 1.343 -6.237 1.00 0.00 H new ATOM 0 HD3 PRO A 881 1.701 0.400 -5.757 1.00 0.00 H new ATOM 679 N MET A 882 4.432 3.761 -2.366 1.00 0.00 N ATOM 680 CA MET A 882 4.979 5.098 -2.342 1.00 0.00 C ATOM 681 C MET A 882 6.119 5.160 -1.386 1.00 0.00 C ATOM 682 O MET A 882 6.235 4.313 -0.478 1.00 0.00 O ATOM 683 CB MET A 882 3.896 6.074 -1.902 1.00 0.00 C ATOM 684 CG MET A 882 2.731 6.117 -2.844 1.00 0.00 C ATOM 685 SD MET A 882 2.997 7.131 -4.269 1.00 0.00 S ATOM 686 CE MET A 882 2.671 8.758 -3.607 1.00 0.00 C ATOM 0 H MET A 882 4.236 3.375 -1.443 1.00 0.00 H new ATOM 0 HA MET A 882 5.332 5.363 -3.339 1.00 0.00 H new ATOM 0 HB2 MET A 882 3.544 5.794 -0.909 1.00 0.00 H new ATOM 0 HB3 MET A 882 4.326 7.072 -1.818 1.00 0.00 H new ATOM 0 HG2 MET A 882 2.503 5.102 -3.170 1.00 0.00 H new ATOM 0 HG3 MET A 882 1.856 6.484 -2.307 1.00 0.00 H new ATOM 0 HE1 MET A 882 1.844 9.213 -4.151 1.00 0.00 H new ATOM 0 HE2 MET A 882 2.410 8.676 -2.552 1.00 0.00 H new ATOM 0 HE3 MET A 882 3.561 9.379 -3.713 1.00 0.00 H new ATOM 696 N ILE A 883 6.952 6.132 -1.559 1.00 0.00 N ATOM 697 CA ILE A 883 8.082 6.303 -0.694 1.00 0.00 C ATOM 698 C ILE A 883 8.126 7.726 -0.150 1.00 0.00 C ATOM 699 O ILE A 883 7.817 8.697 -0.859 1.00 0.00 O ATOM 700 CB ILE A 883 9.428 5.907 -1.377 1.00 0.00 C ATOM 701 CG1 ILE A 883 10.588 5.985 -0.375 1.00 0.00 C ATOM 702 CG2 ILE A 883 9.705 6.792 -2.591 1.00 0.00 C ATOM 703 CD1 ILE A 883 11.867 5.367 -0.886 1.00 0.00 C ATOM 0 H ILE A 883 6.873 6.830 -2.299 1.00 0.00 H new ATOM 0 HA ILE A 883 7.956 5.617 0.143 1.00 0.00 H new ATOM 0 HB ILE A 883 9.341 4.877 -1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 883 10.773 7.030 -0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 883 10.295 5.484 0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 883 10.649 6.496 -3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 883 8.898 6.679 -3.315 1.00 0.00 H new ATOM 0 HG23 ILE A 883 9.766 7.834 -2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 883 12.644 5.458 -0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 883 11.698 4.313 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 883 12.184 5.883 -1.792 1.00 0.00 H new ATOM 715 N GLY A 884 8.395 7.822 1.119 1.00 0.00 N ATOM 716 CA GLY A 884 8.520 9.081 1.769 1.00 0.00 C ATOM 717 C GLY A 884 9.958 9.514 1.813 1.00 0.00 C ATOM 718 O GLY A 884 10.820 8.745 2.272 1.00 0.00 O ATOM 0 H GLY A 884 8.534 7.018 1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 884 7.926 9.828 1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 884 8.124 9.014 2.782 1.00 0.00 H new ATOM 722 N CYS A 885 10.227 10.700 1.293 1.00 0.00 N ATOM 723 CA CYS A 885 11.553 11.285 1.337 1.00 0.00 C ATOM 724 C CYS A 885 11.843 11.635 2.773 1.00 0.00 C ATOM 725 O CYS A 885 10.955 12.157 3.484 1.00 0.00 O ATOM 726 CB CYS A 885 11.592 12.559 0.454 1.00 0.00 C ATOM 727 SG CYS A 885 13.205 13.457 0.339 1.00 0.00 S ATOM 0 H CYS A 885 9.531 11.283 0.829 1.00 0.00 H new ATOM 0 HA CYS A 885 12.300 10.588 0.958 1.00 0.00 H new ATOM 0 HB2 CYS A 885 11.287 12.281 -0.555 1.00 0.00 H new ATOM 0 HB3 CYS A 885 10.844 13.255 0.832 1.00 0.00 H new ATOM 732 N ASP A 886 13.045 11.361 3.213 1.00 0.00 N ATOM 733 CA ASP A 886 13.425 11.636 4.577 1.00 0.00 C ATOM 734 C ASP A 886 13.626 13.119 4.814 1.00 0.00 C ATOM 735 O ASP A 886 13.721 13.563 5.966 1.00 0.00 O ATOM 736 CB ASP A 886 14.665 10.837 5.003 1.00 0.00 C ATOM 737 CG ASP A 886 14.379 9.368 5.270 1.00 0.00 C ATOM 738 OD1 ASP A 886 13.904 9.033 6.375 1.00 0.00 O ATOM 739 OD2 ASP A 886 14.638 8.519 4.391 1.00 0.00 O ATOM 0 H ASP A 886 13.782 10.945 2.643 1.00 0.00 H new ATOM 0 HA ASP A 886 12.596 11.308 5.204 1.00 0.00 H new ATOM 0 HB2 ASP A 886 15.423 10.915 4.224 1.00 0.00 H new ATOM 0 HB3 ASP A 886 15.085 11.286 5.903 1.00 0.00 H new ATOM 744 N ASP A 887 13.688 13.903 3.743 1.00 0.00 N ATOM 745 CA ASP A 887 13.839 15.338 3.914 1.00 0.00 C ATOM 746 C ASP A 887 12.562 16.061 3.581 1.00 0.00 C ATOM 747 O ASP A 887 12.137 16.944 4.320 1.00 0.00 O ATOM 748 CB ASP A 887 14.972 15.914 3.100 1.00 0.00 C ATOM 749 CG ASP A 887 15.271 17.342 3.523 1.00 0.00 C ATOM 750 OD1 ASP A 887 15.866 17.540 4.596 1.00 0.00 O ATOM 751 OD2 ASP A 887 14.922 18.296 2.801 1.00 0.00 O ATOM 0 H ASP A 887 13.638 13.580 2.777 1.00 0.00 H new ATOM 0 HA ASP A 887 14.081 15.488 4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 887 15.864 15.299 3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 887 14.713 15.890 2.041 1.00 0.00 H new ATOM 756 N CYS A 888 11.954 15.716 2.448 1.00 0.00 N ATOM 757 CA CYS A 888 10.661 16.353 2.081 1.00 0.00 C ATOM 758 C CYS A 888 9.570 16.073 3.108 1.00 0.00 C ATOM 759 O CYS A 888 8.764 16.961 3.403 1.00 0.00 O ATOM 760 CB CYS A 888 10.113 15.901 0.713 1.00 0.00 C ATOM 761 SG CYS A 888 11.094 16.298 -0.735 1.00 0.00 S ATOM 0 H CYS A 888 12.306 15.028 1.782 1.00 0.00 H new ATOM 0 HA CYS A 888 10.898 17.416 2.042 1.00 0.00 H new ATOM 0 HB2 CYS A 888 9.978 14.820 0.744 1.00 0.00 H new ATOM 0 HB3 CYS A 888 9.125 16.342 0.583 1.00 0.00 H new ATOM 766 N ASP A 889 9.549 14.820 3.640 1.00 0.00 N ATOM 767 CA ASP A 889 8.442 14.347 4.511 1.00 0.00 C ATOM 768 C ASP A 889 7.177 14.310 3.636 1.00 0.00 C ATOM 769 O ASP A 889 6.033 14.464 4.076 1.00 0.00 O ATOM 770 CB ASP A 889 8.296 15.270 5.767 1.00 0.00 C ATOM 771 CG ASP A 889 7.131 14.942 6.690 1.00 0.00 C ATOM 772 OD1 ASP A 889 7.123 13.882 7.338 1.00 0.00 O ATOM 773 OD2 ASP A 889 6.199 15.767 6.795 1.00 0.00 O ATOM 0 H ASP A 889 10.280 14.127 3.482 1.00 0.00 H new ATOM 0 HA ASP A 889 8.634 13.350 4.909 1.00 0.00 H new ATOM 0 HB2 ASP A 889 9.219 15.218 6.344 1.00 0.00 H new ATOM 0 HB3 ASP A 889 8.189 16.301 5.428 1.00 0.00 H new ATOM 778 N ASP A 890 7.410 14.045 2.367 1.00 0.00 N ATOM 779 CA ASP A 890 6.368 14.053 1.370 1.00 0.00 C ATOM 780 C ASP A 890 6.309 12.673 0.740 1.00 0.00 C ATOM 781 O ASP A 890 7.197 11.841 1.006 1.00 0.00 O ATOM 782 CB ASP A 890 6.683 15.135 0.331 1.00 0.00 C ATOM 783 CG ASP A 890 5.505 15.545 -0.506 1.00 0.00 C ATOM 784 OD1 ASP A 890 4.407 14.980 -0.318 1.00 0.00 O ATOM 785 OD2 ASP A 890 5.649 16.493 -1.306 1.00 0.00 O ATOM 0 H ASP A 890 8.334 13.817 2.000 1.00 0.00 H new ATOM 0 HA ASP A 890 5.397 14.281 1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 890 7.073 16.014 0.845 1.00 0.00 H new ATOM 0 HB3 ASP A 890 7.473 14.773 -0.326 1.00 0.00 H new ATOM 790 N TRP A 891 5.307 12.418 -0.066 1.00 0.00 N ATOM 791 CA TRP A 891 5.095 11.105 -0.645 1.00 0.00 C ATOM 792 C TRP A 891 5.182 11.115 -2.145 1.00 0.00 C ATOM 793 O TRP A 891 4.394 11.756 -2.824 1.00 0.00 O ATOM 794 CB TRP A 891 3.780 10.480 -0.157 1.00 0.00 C ATOM 795 CG TRP A 891 3.853 10.095 1.279 1.00 0.00 C ATOM 796 CD1 TRP A 891 3.461 10.824 2.355 1.00 0.00 C ATOM 797 CD2 TRP A 891 4.403 8.888 1.792 1.00 0.00 C ATOM 798 NE1 TRP A 891 3.741 10.135 3.508 1.00 0.00 N ATOM 799 CE2 TRP A 891 4.318 8.946 3.189 1.00 0.00 C ATOM 800 CE3 TRP A 891 4.958 7.768 1.202 1.00 0.00 C ATOM 801 CZ2 TRP A 891 4.777 7.927 4.005 1.00 0.00 C ATOM 802 CZ3 TRP A 891 5.414 6.757 2.002 1.00 0.00 C ATOM 803 CH2 TRP A 891 5.323 6.839 3.399 1.00 0.00 C ATOM 0 H TRP A 891 4.613 13.112 -0.342 1.00 0.00 H new ATOM 0 HA TRP A 891 5.911 10.474 -0.293 1.00 0.00 H new ATOM 0 HB2 TRP A 891 2.964 11.188 -0.303 1.00 0.00 H new ATOM 0 HB3 TRP A 891 3.550 9.600 -0.758 1.00 0.00 H new ATOM 0 HD1 TRP A 891 2.999 11.799 2.310 1.00 0.00 H new ATOM 0 HE1 TRP A 891 3.547 10.463 4.454 1.00 0.00 H new ATOM 0 HE3 TRP A 891 5.030 7.693 0.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 4.704 7.993 5.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 5.852 5.880 1.550 1.00 0.00 H new ATOM 0 HH2 TRP A 891 5.693 6.024 4.004 1.00 0.00 H new ATOM 814 N TYR A 892 6.144 10.391 -2.648 1.00 0.00 N ATOM 815 CA TYR A 892 6.400 10.297 -4.060 1.00 0.00 C ATOM 816 C TYR A 892 6.140 8.879 -4.518 1.00 0.00 C ATOM 817 O TYR A 892 6.269 7.930 -3.712 1.00 0.00 O ATOM 818 CB TYR A 892 7.868 10.644 -4.339 1.00 0.00 C ATOM 819 CG TYR A 892 8.280 12.057 -3.971 1.00 0.00 C ATOM 820 CD1 TYR A 892 8.515 12.424 -2.648 1.00 0.00 C ATOM 821 CD2 TYR A 892 8.441 13.019 -4.950 1.00 0.00 C ATOM 822 CE1 TYR A 892 8.881 13.709 -2.321 1.00 0.00 C ATOM 823 CE2 TYR A 892 8.811 14.302 -4.628 1.00 0.00 C ATOM 824 CZ TYR A 892 9.024 14.644 -3.314 1.00 0.00 C ATOM 825 OH TYR A 892 9.386 15.933 -3.000 1.00 0.00 O ATOM 0 H TYR A 892 6.784 9.839 -2.077 1.00 0.00 H new ATOM 0 HA TYR A 892 5.749 10.990 -4.593 1.00 0.00 H new ATOM 0 HB2 TYR A 892 8.500 9.944 -3.792 1.00 0.00 H new ATOM 0 HB3 TYR A 892 8.066 10.490 -5.400 1.00 0.00 H new ATOM 0 HD1 TYR A 892 8.408 11.687 -1.866 1.00 0.00 H new ATOM 0 HD2 TYR A 892 8.273 12.758 -5.984 1.00 0.00 H new ATOM 0 HE1 TYR A 892 9.054 13.980 -1.290 1.00 0.00 H new ATOM 0 HE2 TYR A 892 8.934 15.041 -5.406 1.00 0.00 H new ATOM 0 HH TYR A 892 9.514 16.010 -2.031 1.00 0.00 H new ATOM 835 N HIS A 893 5.763 8.717 -5.779 1.00 0.00 N ATOM 836 CA HIS A 893 5.578 7.378 -6.349 1.00 0.00 C ATOM 837 C HIS A 893 6.952 6.762 -6.576 1.00 0.00 C ATOM 838 O HIS A 893 7.951 7.476 -6.669 1.00 0.00 O ATOM 839 CB HIS A 893 4.869 7.388 -7.729 1.00 0.00 C ATOM 840 CG HIS A 893 3.411 7.736 -7.781 1.00 0.00 C ATOM 841 ND1 HIS A 893 2.969 8.794 -8.535 1.00 0.00 N ATOM 842 CD2 HIS A 893 2.345 7.088 -7.268 1.00 0.00 C ATOM 843 CE1 HIS A 893 1.635 8.756 -8.461 1.00 0.00 C ATOM 844 NE2 HIS A 893 1.226 7.741 -7.710 1.00 0.00 N ATOM 0 H HIS A 893 5.579 9.484 -6.426 1.00 0.00 H new ATOM 0 HA HIS A 893 4.959 6.821 -5.645 1.00 0.00 H new ATOM 0 HB2 HIS A 893 5.401 8.091 -8.370 1.00 0.00 H new ATOM 0 HB3 HIS A 893 4.990 6.399 -8.171 1.00 0.00 H new ATOM 0 HD2 HIS A 893 2.370 6.218 -6.629 1.00 0.00 H new ATOM 0 HE1 HIS A 893 0.976 9.459 -8.949 1.00 0.00 H new ATOM 0 HE2 HIS A 893 0.259 7.494 -7.501 1.00 0.00 H new ATOM 852 N TRP A 894 6.988 5.478 -6.742 1.00 0.00 N ATOM 853 CA TRP A 894 8.222 4.749 -6.959 1.00 0.00 C ATOM 854 C TRP A 894 8.898 5.046 -8.325 1.00 0.00 C ATOM 855 O TRP A 894 10.053 5.508 -8.346 1.00 0.00 O ATOM 856 CB TRP A 894 8.024 3.250 -6.752 1.00 0.00 C ATOM 857 CG TRP A 894 7.947 2.820 -5.327 1.00 0.00 C ATOM 858 CD1 TRP A 894 7.926 3.609 -4.213 1.00 0.00 C ATOM 859 CD2 TRP A 894 7.912 1.478 -4.868 1.00 0.00 C ATOM 860 NE1 TRP A 894 7.883 2.825 -3.086 1.00 0.00 N ATOM 861 CE2 TRP A 894 7.866 1.511 -3.465 1.00 0.00 C ATOM 862 CE3 TRP A 894 7.911 0.247 -5.515 1.00 0.00 C ATOM 863 CZ2 TRP A 894 7.820 0.358 -2.700 1.00 0.00 C ATOM 864 CZ3 TRP A 894 7.867 -0.898 -4.762 1.00 0.00 C ATOM 865 CH2 TRP A 894 7.820 -0.839 -3.365 1.00 0.00 C ATOM 0 H TRP A 894 6.156 4.888 -6.733 1.00 0.00 H new ATOM 0 HA TRP A 894 8.916 5.115 -6.203 1.00 0.00 H new ATOM 0 HB2 TRP A 894 7.108 2.945 -7.259 1.00 0.00 H new ATOM 0 HB3 TRP A 894 8.846 2.719 -7.233 1.00 0.00 H new ATOM 0 HD1 TRP A 894 7.941 4.689 -4.217 1.00 0.00 H new ATOM 0 HE1 TRP A 894 7.866 3.166 -2.125 1.00 0.00 H new ATOM 0 HE3 TRP A 894 7.944 0.194 -6.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 7.785 0.401 -1.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 7.869 -1.859 -5.254 1.00 0.00 H new ATOM 0 HH2 TRP A 894 7.783 -1.758 -2.799 1.00 0.00 H new ATOM 876 N PRO A 895 8.207 4.839 -9.493 1.00 0.00 N ATOM 877 CA PRO A 895 8.823 5.045 -10.821 1.00 0.00 C ATOM 878 C PRO A 895 9.190 6.511 -11.073 1.00 0.00 C ATOM 879 O PRO A 895 10.010 6.829 -11.946 1.00 0.00 O ATOM 880 CB PRO A 895 7.728 4.596 -11.802 1.00 0.00 C ATOM 881 CG PRO A 895 6.460 4.748 -11.038 1.00 0.00 C ATOM 882 CD PRO A 895 6.801 4.386 -9.630 1.00 0.00 C ATOM 0 HA PRO A 895 9.757 4.493 -10.921 1.00 0.00 H new ATOM 0 HB2 PRO A 895 7.725 5.210 -12.702 1.00 0.00 H new ATOM 0 HB3 PRO A 895 7.879 3.564 -12.120 1.00 0.00 H new ATOM 0 HG2 PRO A 895 6.083 5.769 -11.101 1.00 0.00 H new ATOM 0 HG3 PRO A 895 5.682 4.096 -11.434 1.00 0.00 H new ATOM 0 HD2 PRO A 895 6.146 4.885 -8.916 1.00 0.00 H new ATOM 0 HD3 PRO A 895 6.705 3.314 -9.455 1.00 0.00 H new ATOM 890 N CYS A 896 8.600 7.384 -10.301 1.00 0.00 N ATOM 891 CA CYS A 896 8.819 8.788 -10.418 1.00 0.00 C ATOM 892 C CYS A 896 10.134 9.209 -9.745 1.00 0.00 C ATOM 893 O CYS A 896 10.741 10.212 -10.120 1.00 0.00 O ATOM 894 CB CYS A 896 7.627 9.494 -9.796 1.00 0.00 C ATOM 895 SG CYS A 896 6.040 8.895 -10.445 1.00 0.00 S ATOM 0 H CYS A 896 7.944 7.128 -9.563 1.00 0.00 H new ATOM 0 HA CYS A 896 8.912 9.066 -11.468 1.00 0.00 H new ATOM 0 HB2 CYS A 896 7.650 9.353 -8.715 1.00 0.00 H new ATOM 0 HB3 CYS A 896 7.708 10.565 -9.979 1.00 0.00 H new ATOM 900 N VAL A 897 10.571 8.445 -8.769 1.00 0.00 N ATOM 901 CA VAL A 897 11.793 8.780 -8.058 1.00 0.00 C ATOM 902 C VAL A 897 12.911 7.781 -8.282 1.00 0.00 C ATOM 903 O VAL A 897 14.054 8.026 -7.885 1.00 0.00 O ATOM 904 CB VAL A 897 11.568 8.949 -6.560 1.00 0.00 C ATOM 905 CG1 VAL A 897 10.687 10.150 -6.286 1.00 0.00 C ATOM 906 CG2 VAL A 897 10.975 7.690 -5.954 1.00 0.00 C ATOM 0 H VAL A 897 10.107 7.595 -8.449 1.00 0.00 H new ATOM 0 HA VAL A 897 12.101 9.736 -8.482 1.00 0.00 H new ATOM 0 HB VAL A 897 12.535 9.122 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 897 10.538 10.254 -5.211 1.00 0.00 H new ATOM 0 HG12 VAL A 897 11.166 11.049 -6.675 1.00 0.00 H new ATOM 0 HG13 VAL A 897 9.722 10.013 -6.775 1.00 0.00 H new ATOM 0 HG21 VAL A 897 10.824 7.837 -4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 897 10.018 7.474 -6.429 1.00 0.00 H new ATOM 0 HG23 VAL A 897 11.656 6.854 -6.113 1.00 0.00 H new ATOM 916 N GLY A 898 12.593 6.660 -8.867 1.00 0.00 N ATOM 917 CA GLY A 898 13.608 5.685 -9.142 1.00 0.00 C ATOM 918 C GLY A 898 13.643 4.598 -8.104 1.00 0.00 C ATOM 919 O GLY A 898 14.715 4.140 -7.703 1.00 0.00 O ATOM 0 H GLY A 898 11.651 6.402 -9.159 1.00 0.00 H new ATOM 0 HA2 GLY A 898 13.430 5.244 -10.123 1.00 0.00 H new ATOM 0 HA3 GLY A 898 14.580 6.176 -9.185 1.00 0.00 H new ATOM 923 N ILE A 899 12.485 4.248 -7.605 1.00 0.00 N ATOM 924 CA ILE A 899 12.357 3.123 -6.701 1.00 0.00 C ATOM 925 C ILE A 899 11.630 1.995 -7.416 1.00 0.00 C ATOM 926 O ILE A 899 10.588 2.206 -8.022 1.00 0.00 O ATOM 927 CB ILE A 899 11.613 3.496 -5.382 1.00 0.00 C ATOM 928 CG1 ILE A 899 12.364 4.583 -4.613 1.00 0.00 C ATOM 929 CG2 ILE A 899 11.418 2.271 -4.487 1.00 0.00 C ATOM 930 CD1 ILE A 899 13.715 4.157 -4.100 1.00 0.00 C ATOM 0 H ILE A 899 11.608 4.727 -7.809 1.00 0.00 H new ATOM 0 HA ILE A 899 13.360 2.806 -6.414 1.00 0.00 H new ATOM 0 HB ILE A 899 10.633 3.880 -5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 899 12.491 5.449 -5.262 1.00 0.00 H new ATOM 0 HG13 ILE A 899 11.752 4.904 -3.770 1.00 0.00 H new ATOM 0 HG21 ILE A 899 10.897 2.565 -3.576 1.00 0.00 H new ATOM 0 HG22 ILE A 899 10.828 1.523 -5.017 1.00 0.00 H new ATOM 0 HG23 ILE A 899 12.390 1.851 -4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 899 14.180 4.986 -3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 899 13.597 3.311 -3.423 1.00 0.00 H new ATOM 0 HD13 ILE A 899 14.347 3.865 -4.939 1.00 0.00 H new ATOM 942 N MET A 900 12.222 0.836 -7.408 1.00 0.00 N ATOM 943 CA MET A 900 11.634 -0.325 -8.025 1.00 0.00 C ATOM 944 C MET A 900 11.155 -1.283 -6.956 1.00 0.00 C ATOM 945 O MET A 900 10.135 -1.973 -7.119 1.00 0.00 O ATOM 946 CB MET A 900 12.653 -1.019 -8.931 1.00 0.00 C ATOM 947 CG MET A 900 13.188 -0.174 -10.098 1.00 0.00 C ATOM 948 SD MET A 900 14.225 1.246 -9.630 1.00 0.00 S ATOM 949 CE MET A 900 15.614 0.433 -8.842 1.00 0.00 C ATOM 0 H MET A 900 13.129 0.665 -6.973 1.00 0.00 H new ATOM 0 HA MET A 900 10.785 -0.011 -8.633 1.00 0.00 H new ATOM 0 HB2 MET A 900 13.497 -1.338 -8.320 1.00 0.00 H new ATOM 0 HB3 MET A 900 12.195 -1.920 -9.339 1.00 0.00 H new ATOM 0 HG2 MET A 900 13.766 -0.822 -10.757 1.00 0.00 H new ATOM 0 HG3 MET A 900 12.340 0.193 -10.676 1.00 0.00 H new ATOM 0 HE1 MET A 900 16.434 1.142 -8.729 1.00 0.00 H new ATOM 0 HE2 MET A 900 15.313 0.068 -7.860 1.00 0.00 H new ATOM 0 HE3 MET A 900 15.941 -0.406 -9.457 1.00 0.00 H new ATOM 959 N ALA A 901 11.881 -1.317 -5.870 1.00 0.00 N ATOM 960 CA ALA A 901 11.571 -2.157 -4.750 1.00 0.00 C ATOM 961 C ALA A 901 11.810 -1.375 -3.481 1.00 0.00 C ATOM 962 O ALA A 901 12.721 -0.532 -3.430 1.00 0.00 O ATOM 963 CB ALA A 901 12.425 -3.406 -4.772 1.00 0.00 C ATOM 0 H ALA A 901 12.719 -0.750 -5.739 1.00 0.00 H new ATOM 0 HA ALA A 901 10.527 -2.467 -4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 901 12.176 -4.032 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 901 12.237 -3.959 -5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 901 13.478 -3.128 -4.725 1.00 0.00 H new ATOM 969 N ALA A 902 11.016 -1.645 -2.481 1.00 0.00 N ATOM 970 CA ALA A 902 11.063 -0.939 -1.222 1.00 0.00 C ATOM 971 C ALA A 902 12.389 -1.154 -0.499 1.00 0.00 C ATOM 972 O ALA A 902 12.762 -2.298 -0.206 1.00 0.00 O ATOM 973 CB ALA A 902 9.913 -1.383 -0.329 1.00 0.00 C ATOM 0 H ALA A 902 10.304 -2.375 -2.515 1.00 0.00 H new ATOM 0 HA ALA A 902 10.969 0.125 -1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 902 9.958 -0.844 0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 902 8.965 -1.169 -0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 902 9.991 -2.454 -0.141 1.00 0.00 H new ATOM 979 N PRO A 903 13.140 -0.072 -0.229 1.00 0.00 N ATOM 980 CA PRO A 903 14.364 -0.154 0.540 1.00 0.00 C ATOM 981 C PRO A 903 14.011 -0.235 2.028 1.00 0.00 C ATOM 982 O PRO A 903 12.851 0.004 2.395 1.00 0.00 O ATOM 983 CB PRO A 903 15.088 1.172 0.228 1.00 0.00 C ATOM 984 CG PRO A 903 14.212 1.923 -0.721 1.00 0.00 C ATOM 985 CD PRO A 903 12.853 1.315 -0.618 1.00 0.00 C ATOM 0 HA PRO A 903 14.975 -1.024 0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 903 15.254 1.747 1.139 1.00 0.00 H new ATOM 0 HB3 PRO A 903 16.067 0.985 -0.214 1.00 0.00 H new ATOM 0 HG2 PRO A 903 14.183 2.982 -0.466 1.00 0.00 H new ATOM 0 HG3 PRO A 903 14.593 1.851 -1.740 1.00 0.00 H new ATOM 0 HD2 PRO A 903 12.239 1.824 0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 903 12.315 1.366 -1.565 1.00 0.00 H new ATOM 993 N PRO A 904 14.963 -0.578 2.903 1.00 0.00 N ATOM 994 CA PRO A 904 14.690 -0.700 4.332 1.00 0.00 C ATOM 995 C PRO A 904 14.207 0.620 4.926 1.00 0.00 C ATOM 996 O PRO A 904 14.796 1.683 4.674 1.00 0.00 O ATOM 997 CB PRO A 904 16.037 -1.108 4.942 1.00 0.00 C ATOM 998 CG PRO A 904 17.055 -0.792 3.903 1.00 0.00 C ATOM 999 CD PRO A 904 16.363 -0.866 2.579 1.00 0.00 C ATOM 0 HA PRO A 904 13.899 -1.422 4.535 1.00 0.00 H new ATOM 0 HB2 PRO A 904 16.233 -0.560 5.863 1.00 0.00 H new ATOM 0 HB3 PRO A 904 16.049 -2.168 5.194 1.00 0.00 H new ATOM 0 HG2 PRO A 904 17.475 0.201 4.064 1.00 0.00 H new ATOM 0 HG3 PRO A 904 17.883 -1.500 3.946 1.00 0.00 H new ATOM 0 HD2 PRO A 904 16.768 -0.140 1.874 1.00 0.00 H new ATOM 0 HD3 PRO A 904 16.474 -1.850 2.123 1.00 0.00 H new ATOM 1007 N GLU A 905 13.152 0.551 5.725 1.00 0.00 N ATOM 1008 CA GLU A 905 12.561 1.747 6.321 1.00 0.00 C ATOM 1009 C GLU A 905 13.496 2.355 7.362 1.00 0.00 C ATOM 1010 O GLU A 905 13.399 3.543 7.694 1.00 0.00 O ATOM 1011 CB GLU A 905 11.166 1.455 6.906 1.00 0.00 C ATOM 1012 CG GLU A 905 11.136 0.381 7.976 1.00 0.00 C ATOM 1013 CD GLU A 905 9.746 0.122 8.495 1.00 0.00 C ATOM 1014 OE1 GLU A 905 9.034 -0.728 7.929 1.00 0.00 O ATOM 1015 OE2 GLU A 905 9.337 0.745 9.509 1.00 0.00 O ATOM 0 H GLU A 905 12.685 -0.320 5.978 1.00 0.00 H new ATOM 0 HA GLU A 905 12.426 2.484 5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 905 10.763 2.377 7.325 1.00 0.00 H new ATOM 0 HB3 GLU A 905 10.502 1.158 6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 905 11.547 -0.543 7.570 1.00 0.00 H new ATOM 0 HG3 GLU A 905 11.780 0.679 8.804 1.00 0.00 H new ATOM 1022 N GLU A 906 14.424 1.539 7.836 1.00 0.00 N ATOM 1023 CA GLU A 906 15.428 1.956 8.797 1.00 0.00 C ATOM 1024 C GLU A 906 16.637 2.597 8.101 1.00 0.00 C ATOM 1025 O GLU A 906 17.624 2.966 8.745 1.00 0.00 O ATOM 1026 CB GLU A 906 15.836 0.780 9.693 1.00 0.00 C ATOM 1027 CG GLU A 906 16.178 -0.496 8.943 1.00 0.00 C ATOM 1028 CD GLU A 906 16.538 -1.632 9.871 1.00 0.00 C ATOM 1029 OE1 GLU A 906 15.622 -2.199 10.524 1.00 0.00 O ATOM 1030 OE2 GLU A 906 17.728 -2.012 9.935 1.00 0.00 O ATOM 0 H GLU A 906 14.501 0.560 7.561 1.00 0.00 H new ATOM 0 HA GLU A 906 14.992 2.723 9.437 1.00 0.00 H new ATOM 0 HB2 GLU A 906 16.698 1.077 10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 906 15.023 0.571 10.388 1.00 0.00 H new ATOM 0 HG2 GLU A 906 15.329 -0.790 8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 906 17.012 -0.305 8.267 1.00 0.00 H new ATOM 1037 N MET A 907 16.558 2.711 6.786 1.00 0.00 N ATOM 1038 CA MET A 907 17.573 3.394 6.008 1.00 0.00 C ATOM 1039 C MET A 907 16.978 4.690 5.498 1.00 0.00 C ATOM 1040 O MET A 907 15.764 4.758 5.244 1.00 0.00 O ATOM 1041 CB MET A 907 18.013 2.553 4.808 1.00 0.00 C ATOM 1042 CG MET A 907 19.134 3.179 3.978 1.00 0.00 C ATOM 1043 SD MET A 907 19.415 2.355 2.401 1.00 0.00 S ATOM 1044 CE MET A 907 17.915 2.802 1.535 1.00 0.00 C ATOM 0 H MET A 907 15.790 2.333 6.231 1.00 0.00 H new ATOM 0 HA MET A 907 18.443 3.572 6.640 1.00 0.00 H new ATOM 0 HB2 MET A 907 18.342 1.577 5.164 1.00 0.00 H new ATOM 0 HB3 MET A 907 17.151 2.383 4.163 1.00 0.00 H new ATOM 0 HG2 MET A 907 18.896 4.226 3.793 1.00 0.00 H new ATOM 0 HG3 MET A 907 20.057 3.160 4.557 1.00 0.00 H new ATOM 0 HE1 MET A 907 17.921 2.354 0.541 1.00 0.00 H new ATOM 0 HE2 MET A 907 17.051 2.438 2.092 1.00 0.00 H new ATOM 0 HE3 MET A 907 17.857 3.887 1.443 1.00 0.00 H new ATOM 1054 N GLN A 908 17.792 5.704 5.358 1.00 0.00 N ATOM 1055 CA GLN A 908 17.325 6.966 4.840 1.00 0.00 C ATOM 1056 C GLN A 908 17.400 6.977 3.320 1.00 0.00 C ATOM 1057 O GLN A 908 18.159 6.210 2.714 1.00 0.00 O ATOM 1058 CB GLN A 908 18.102 8.150 5.415 1.00 0.00 C ATOM 1059 CG GLN A 908 18.054 8.242 6.933 1.00 0.00 C ATOM 1060 CD GLN A 908 18.684 9.514 7.481 1.00 0.00 C ATOM 1061 OE1 GLN A 908 19.255 9.519 8.573 1.00 0.00 O ATOM 1062 NE2 GLN A 908 18.563 10.595 6.764 1.00 0.00 N ATOM 0 H GLN A 908 18.784 5.681 5.596 1.00 0.00 H new ATOM 0 HA GLN A 908 16.286 7.076 5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 908 19.142 8.077 5.098 1.00 0.00 H new ATOM 0 HB3 GLN A 908 17.704 9.073 4.992 1.00 0.00 H new ATOM 0 HG2 GLN A 908 17.016 8.189 7.260 1.00 0.00 H new ATOM 0 HG3 GLN A 908 18.566 7.379 7.358 1.00 0.00 H new ATOM 0 HE21 GLN A 908 18.085 10.559 5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 908 18.946 11.477 7.103 1.00 0.00 H new ATOM 1071 N TRP A 909 16.608 7.821 2.727 1.00 0.00 N ATOM 1072 CA TRP A 909 16.509 7.982 1.297 1.00 0.00 C ATOM 1073 C TRP A 909 15.968 9.363 1.028 1.00 0.00 C ATOM 1074 O TRP A 909 15.120 9.860 1.778 1.00 0.00 O ATOM 1075 CB TRP A 909 15.566 6.910 0.703 1.00 0.00 C ATOM 1076 CG TRP A 909 15.270 7.051 -0.769 1.00 0.00 C ATOM 1077 CD1 TRP A 909 15.904 6.438 -1.809 1.00 0.00 C ATOM 1078 CD2 TRP A 909 14.238 7.861 -1.349 1.00 0.00 C ATOM 1079 NE1 TRP A 909 15.333 6.840 -3.006 1.00 0.00 N ATOM 1080 CE2 TRP A 909 14.312 7.708 -2.737 1.00 0.00 C ATOM 1081 CE3 TRP A 909 13.260 8.706 -0.814 1.00 0.00 C ATOM 1082 CZ2 TRP A 909 13.455 8.366 -3.594 1.00 0.00 C ATOM 1083 CZ3 TRP A 909 12.407 9.357 -1.669 1.00 0.00 C ATOM 1084 CH2 TRP A 909 12.509 9.185 -3.043 1.00 0.00 C ATOM 0 H TRP A 909 15.986 8.444 3.243 1.00 0.00 H new ATOM 0 HA TRP A 909 17.487 7.861 0.831 1.00 0.00 H new ATOM 0 HB2 TRP A 909 16.006 5.928 0.875 1.00 0.00 H new ATOM 0 HB3 TRP A 909 14.623 6.937 1.250 1.00 0.00 H new ATOM 0 HD1 TRP A 909 16.726 5.744 -1.714 1.00 0.00 H new ATOM 0 HE1 TRP A 909 15.626 6.538 -3.935 1.00 0.00 H new ATOM 0 HE3 TRP A 909 13.178 8.844 0.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 13.529 8.239 -4.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 11.647 10.011 -1.268 1.00 0.00 H new ATOM 0 HH2 TRP A 909 11.825 9.711 -3.692 1.00 0.00 H new ATOM 1095 N PHE A 910 16.442 9.978 -0.008 1.00 0.00 N ATOM 1096 CA PHE A 910 16.012 11.295 -0.363 1.00 0.00 C ATOM 1097 C PHE A 910 15.695 11.293 -1.839 1.00 0.00 C ATOM 1098 O PHE A 910 16.341 10.561 -2.605 1.00 0.00 O ATOM 1099 CB PHE A 910 17.118 12.313 -0.048 1.00 0.00 C ATOM 1100 CG PHE A 910 17.611 12.255 1.366 1.00 0.00 C ATOM 1101 CD1 PHE A 910 16.928 12.892 2.379 1.00 0.00 C ATOM 1102 CD2 PHE A 910 18.755 11.536 1.681 1.00 0.00 C ATOM 1103 CE1 PHE A 910 17.370 12.815 3.681 1.00 0.00 C ATOM 1104 CE2 PHE A 910 19.202 11.460 2.974 1.00 0.00 C ATOM 1105 CZ PHE A 910 18.509 12.097 3.974 1.00 0.00 C ATOM 0 H PHE A 910 17.141 9.580 -0.635 1.00 0.00 H new ATOM 0 HA PHE A 910 15.128 11.578 0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 910 17.957 12.143 -0.722 1.00 0.00 H new ATOM 0 HB3 PHE A 910 16.744 13.316 -0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 910 16.037 13.457 2.150 1.00 0.00 H new ATOM 0 HD2 PHE A 910 19.300 11.030 0.898 1.00 0.00 H new ATOM 0 HE1 PHE A 910 16.826 13.315 4.469 1.00 0.00 H new ATOM 0 HE2 PHE A 910 20.096 10.901 3.206 1.00 0.00 H new ATOM 0 HZ PHE A 910 18.858 12.035 4.994 1.00 0.00 H new ATOM 1115 N CYS A 911 14.698 12.060 -2.234 1.00 0.00 N ATOM 1116 CA CYS A 911 14.278 12.144 -3.629 1.00 0.00 C ATOM 1117 C CYS A 911 15.424 12.686 -4.511 1.00 0.00 C ATOM 1118 O CYS A 911 16.402 13.232 -3.987 1.00 0.00 O ATOM 1119 CB CYS A 911 13.050 13.073 -3.719 1.00 0.00 C ATOM 1120 SG CYS A 911 13.377 14.798 -3.260 1.00 0.00 S ATOM 0 H CYS A 911 14.153 12.645 -1.601 1.00 0.00 H new ATOM 0 HA CYS A 911 14.018 11.149 -3.992 1.00 0.00 H new ATOM 0 HB2 CYS A 911 12.665 13.048 -4.739 1.00 0.00 H new ATOM 0 HB3 CYS A 911 12.265 12.681 -3.072 1.00 0.00 H new ATOM 1125 N PRO A 912 15.323 12.569 -5.859 1.00 0.00 N ATOM 1126 CA PRO A 912 16.323 13.129 -6.795 1.00 0.00 C ATOM 1127 C PRO A 912 16.516 14.667 -6.663 1.00 0.00 C ATOM 1128 O PRO A 912 17.306 15.260 -7.391 1.00 0.00 O ATOM 1129 CB PRO A 912 15.759 12.779 -8.181 1.00 0.00 C ATOM 1130 CG PRO A 912 14.327 12.456 -7.936 1.00 0.00 C ATOM 1131 CD PRO A 912 14.286 11.822 -6.589 1.00 0.00 C ATOM 0 HA PRO A 912 17.312 12.717 -6.596 1.00 0.00 H new ATOM 0 HB2 PRO A 912 15.864 13.614 -8.873 1.00 0.00 H new ATOM 0 HB3 PRO A 912 16.286 11.932 -8.621 1.00 0.00 H new ATOM 0 HG2 PRO A 912 13.712 13.355 -7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 912 13.941 11.781 -8.699 1.00 0.00 H new ATOM 0 HD2 PRO A 912 13.307 11.923 -6.121 1.00 0.00 H new ATOM 0 HD3 PRO A 912 14.509 10.756 -6.634 1.00 0.00 H new ATOM 1139 N LYS A 913 15.751 15.305 -5.782 1.00 0.00 N ATOM 1140 CA LYS A 913 15.947 16.708 -5.467 1.00 0.00 C ATOM 1141 C LYS A 913 16.766 16.816 -4.190 1.00 0.00 C ATOM 1142 O LYS A 913 17.793 17.498 -4.143 1.00 0.00 O ATOM 1143 CB LYS A 913 14.624 17.431 -5.254 1.00 0.00 C ATOM 1144 CG LYS A 913 13.676 17.380 -6.426 1.00 0.00 C ATOM 1145 CD LYS A 913 12.422 18.204 -6.157 1.00 0.00 C ATOM 1146 CE LYS A 913 11.679 17.750 -4.897 1.00 0.00 C ATOM 1147 NZ LYS A 913 11.339 16.307 -4.933 1.00 0.00 N ATOM 0 H LYS A 913 14.985 14.864 -5.272 1.00 0.00 H new ATOM 0 HA LYS A 913 16.461 17.173 -6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 913 14.127 17.000 -4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 913 14.831 18.475 -5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 913 14.177 17.755 -7.319 1.00 0.00 H new ATOM 0 HG3 LYS A 913 13.398 16.345 -6.628 1.00 0.00 H new ATOM 0 HD2 LYS A 913 12.697 19.254 -6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 913 11.753 18.132 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 913 12.295 17.954 -4.021 1.00 0.00 H new ATOM 0 HE3 LYS A 913 10.765 18.334 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 10.475 16.140 -4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 11.180 16.012 -5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 12.123 15.756 -4.529 1.00 0.00 H new ATOM 1161 N CYS A 914 16.325 16.097 -3.171 1.00 0.00 N ATOM 1162 CA CYS A 914 16.942 16.134 -1.876 1.00 0.00 C ATOM 1163 C CYS A 914 18.273 15.418 -1.818 1.00 0.00 C ATOM 1164 O CYS A 914 19.186 15.902 -1.204 1.00 0.00 O ATOM 1165 CB CYS A 914 15.963 15.671 -0.800 1.00 0.00 C ATOM 1166 SG CYS A 914 14.686 16.892 -0.471 1.00 0.00 S ATOM 0 H CYS A 914 15.523 15.470 -3.230 1.00 0.00 H new ATOM 0 HA CYS A 914 17.190 17.175 -1.669 1.00 0.00 H new ATOM 0 HB2 CYS A 914 15.497 14.737 -1.113 1.00 0.00 H new ATOM 0 HB3 CYS A 914 16.509 15.462 0.120 1.00 0.00 H new ATOM 1171 N ALA A 915 18.399 14.313 -2.490 1.00 0.00 N ATOM 1172 CA ALA A 915 19.665 13.602 -2.496 1.00 0.00 C ATOM 1173 C ALA A 915 20.664 14.356 -3.359 1.00 0.00 C ATOM 1174 O ALA A 915 21.870 14.323 -3.138 1.00 0.00 O ATOM 1175 CB ALA A 915 19.472 12.187 -3.005 1.00 0.00 C ATOM 0 H ALA A 915 17.657 13.879 -3.039 1.00 0.00 H new ATOM 0 HA ALA A 915 20.052 13.543 -1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 915 20.430 11.666 -3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 915 18.771 11.660 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 915 19.076 12.216 -4.020 1.00 0.00 H new ATOM 1181 N ASN A 916 20.118 15.124 -4.261 1.00 0.00 N ATOM 1182 CA ASN A 916 20.872 15.870 -5.259 1.00 0.00 C ATOM 1183 C ASN A 916 21.562 17.028 -4.581 1.00 0.00 C ATOM 1184 O ASN A 916 22.748 17.237 -4.757 1.00 0.00 O ATOM 1185 CB ASN A 916 19.908 16.391 -6.340 1.00 0.00 C ATOM 1186 CG ASN A 916 20.564 17.039 -7.562 1.00 0.00 C ATOM 1187 OD1 ASN A 916 21.653 17.604 -7.501 1.00 0.00 O ATOM 1188 ND2 ASN A 916 19.887 16.972 -8.683 1.00 0.00 N ATOM 0 H ASN A 916 19.110 15.259 -4.333 1.00 0.00 H new ATOM 0 HA ASN A 916 21.616 15.226 -5.728 1.00 0.00 H new ATOM 0 HB2 ASN A 916 19.291 15.560 -6.681 1.00 0.00 H new ATOM 0 HB3 ASN A 916 19.238 17.119 -5.882 1.00 0.00 H new ATOM 0 HD21 ASN A 916 20.263 17.395 -9.532 1.00 0.00 H new ATOM 0 HD22 ASN A 916 18.985 16.497 -8.706 1.00 0.00 H new ATOM 1195 N LYS A 917 20.823 17.720 -3.734 1.00 0.00 N ATOM 1196 CA LYS A 917 21.317 18.906 -3.040 1.00 0.00 C ATOM 1197 C LYS A 917 22.379 18.547 -1.989 1.00 0.00 C ATOM 1198 O LYS A 917 23.072 19.423 -1.480 1.00 0.00 O ATOM 1199 CB LYS A 917 20.141 19.665 -2.398 1.00 0.00 C ATOM 1200 CG LYS A 917 19.523 18.944 -1.220 1.00 0.00 C ATOM 1201 CD LYS A 917 18.187 19.531 -0.805 1.00 0.00 C ATOM 1202 CE LYS A 917 17.628 18.802 0.414 1.00 0.00 C ATOM 1203 NZ LYS A 917 16.211 19.138 0.660 1.00 0.00 N ATOM 0 H LYS A 917 19.859 17.479 -3.504 1.00 0.00 H new ATOM 0 HA LYS A 917 21.798 19.554 -3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 917 20.488 20.645 -2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 917 19.373 19.834 -3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 917 19.389 17.892 -1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 917 20.210 18.984 -0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 917 18.305 20.590 -0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 917 17.481 19.459 -1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 917 17.725 17.726 0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 917 18.219 19.060 1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 15.998 19.025 1.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 16.033 20.123 0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 15.602 18.503 0.105 1.00 0.00 H new ATOM 1217 N ILE A 918 22.491 17.261 -1.673 1.00 0.00 N ATOM 1218 CA ILE A 918 23.468 16.789 -0.701 1.00 0.00 C ATOM 1219 C ILE A 918 24.745 16.329 -1.422 1.00 0.00 C ATOM 1220 O ILE A 918 25.865 16.477 -0.908 1.00 0.00 O ATOM 1221 CB ILE A 918 22.906 15.616 0.149 1.00 0.00 C ATOM 1222 CG1 ILE A 918 21.516 15.980 0.694 1.00 0.00 C ATOM 1223 CG2 ILE A 918 23.862 15.299 1.302 1.00 0.00 C ATOM 1224 CD1 ILE A 918 20.882 14.917 1.575 1.00 0.00 C ATOM 0 H ILE A 918 21.914 16.525 -2.079 1.00 0.00 H new ATOM 0 HA ILE A 918 23.697 17.618 -0.032 1.00 0.00 H new ATOM 0 HB ILE A 918 22.814 14.732 -0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 918 21.595 16.906 1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 918 20.852 16.179 -0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 918 23.460 14.476 1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 918 24.835 15.016 0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 918 23.973 16.179 1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 918 19.904 15.260 1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 918 20.766 13.995 1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 918 21.521 14.732 2.439 1.00 0.00 H new ATOM 1236 N LYS A 919 24.581 15.787 -2.622 1.00 0.00 N ATOM 1237 CA LYS A 919 25.727 15.331 -3.398 1.00 0.00 C ATOM 1238 C LYS A 919 26.328 16.539 -4.106 1.00 0.00 C ATOM 1239 O LYS A 919 27.540 16.674 -4.216 1.00 0.00 O ATOM 1240 CB LYS A 919 25.324 14.230 -4.409 1.00 0.00 C ATOM 1241 CG LYS A 919 24.584 13.025 -3.790 1.00 0.00 C ATOM 1242 CD LYS A 919 25.392 12.313 -2.701 1.00 0.00 C ATOM 1243 CE LYS A 919 24.561 11.222 -1.998 1.00 0.00 C ATOM 1244 NZ LYS A 919 24.132 10.134 -2.914 1.00 0.00 N ATOM 0 H LYS A 919 23.677 15.653 -3.075 1.00 0.00 H new ATOM 0 HA LYS A 919 26.467 14.884 -2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 919 24.689 14.674 -5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 919 26.222 13.869 -4.910 1.00 0.00 H new ATOM 0 HG2 LYS A 919 23.639 13.366 -3.367 1.00 0.00 H new ATOM 0 HG3 LYS A 919 24.342 12.312 -4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 919 26.282 11.865 -3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 919 25.733 13.042 -1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 919 25.148 10.794 -1.185 1.00 0.00 H new ATOM 0 HE3 LYS A 919 23.679 11.679 -1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 919 23.607 9.415 -2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 919 23.520 10.527 -3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 919 24.969 9.697 -3.350 1.00 0.00 H new ATOM 1258 N LYS A 920 25.439 17.416 -4.538 1.00 0.00 N ATOM 1259 CA LYS A 920 25.728 18.701 -5.154 1.00 0.00 C ATOM 1260 C LYS A 920 26.334 18.669 -6.537 1.00 0.00 C ATOM 1261 O LYS A 920 27.365 18.022 -6.804 1.00 0.00 O ATOM 1262 CB LYS A 920 26.465 19.679 -4.250 1.00 0.00 C ATOM 1263 CG LYS A 920 25.646 20.153 -3.073 1.00 0.00 C ATOM 1264 CD LYS A 920 26.273 21.363 -2.412 1.00 0.00 C ATOM 1265 CE LYS A 920 25.508 21.782 -1.174 1.00 0.00 C ATOM 1266 NZ LYS A 920 24.079 22.074 -1.450 1.00 0.00 N ATOM 0 H LYS A 920 24.437 17.241 -4.464 1.00 0.00 H new ATOM 0 HA LYS A 920 24.719 19.086 -5.304 1.00 0.00 H new ATOM 0 HB2 LYS A 920 27.374 19.204 -3.881 1.00 0.00 H new ATOM 0 HB3 LYS A 920 26.773 20.543 -4.839 1.00 0.00 H new ATOM 0 HG2 LYS A 920 24.638 20.400 -3.406 1.00 0.00 H new ATOM 0 HG3 LYS A 920 25.553 19.347 -2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 920 27.305 21.137 -2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 920 26.302 22.191 -3.120 1.00 0.00 H new ATOM 0 HE2 LYS A 920 25.574 20.991 -0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 920 25.978 22.667 -0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 920 23.696 22.677 -0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 920 23.995 22.566 -2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 920 23.544 21.183 -1.487 1.00 0.00 H new ATOM 1280 N ASP A 921 25.687 19.392 -7.401 1.00 0.00 N ATOM 1281 CA ASP A 921 26.119 19.610 -8.757 1.00 0.00 C ATOM 1282 C ASP A 921 26.948 20.889 -8.745 1.00 0.00 C ATOM 1283 O ASP A 921 26.934 21.607 -7.729 1.00 0.00 O ATOM 1284 CB ASP A 921 24.884 19.767 -9.662 1.00 0.00 C ATOM 1285 CG ASP A 921 25.221 19.842 -11.129 1.00 0.00 C ATOM 1286 OD1 ASP A 921 25.625 18.817 -11.704 1.00 0.00 O ATOM 1287 OD2 ASP A 921 25.095 20.924 -11.735 1.00 0.00 O ATOM 0 H ASP A 921 24.812 19.865 -7.177 1.00 0.00 H new ATOM 0 HA ASP A 921 26.709 18.776 -9.139 1.00 0.00 H new ATOM 0 HB2 ASP A 921 24.211 18.926 -9.494 1.00 0.00 H new ATOM 0 HB3 ASP A 921 24.345 20.669 -9.374 1.00 0.00 H new ATOM 1292 N LYS A 922 27.672 21.182 -9.814 1.00 0.00 N ATOM 1293 CA LYS A 922 28.513 22.371 -9.833 1.00 0.00 C ATOM 1294 C LYS A 922 27.640 23.622 -9.878 1.00 0.00 C ATOM 1295 O LYS A 922 27.400 24.237 -8.848 1.00 0.00 O ATOM 1296 CB LYS A 922 29.509 22.350 -11.005 1.00 0.00 C ATOM 1297 CG LYS A 922 30.331 21.065 -11.127 1.00 0.00 C ATOM 1298 CD LYS A 922 31.121 20.733 -9.860 1.00 0.00 C ATOM 1299 CE LYS A 922 32.105 21.828 -9.478 1.00 0.00 C ATOM 1300 NZ LYS A 922 32.909 21.448 -8.301 1.00 0.00 N ATOM 0 H LYS A 922 27.696 20.624 -10.667 1.00 0.00 H new ATOM 0 HA LYS A 922 29.104 22.383 -8.917 1.00 0.00 H new ATOM 0 HB2 LYS A 922 28.959 22.502 -11.934 1.00 0.00 H new ATOM 0 HB3 LYS A 922 30.192 23.193 -10.898 1.00 0.00 H new ATOM 0 HG2 LYS A 922 29.664 20.235 -11.359 1.00 0.00 H new ATOM 0 HG3 LYS A 922 31.023 21.162 -11.964 1.00 0.00 H new ATOM 0 HD2 LYS A 922 30.426 20.571 -9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 922 31.663 19.799 -10.009 1.00 0.00 H new ATOM 0 HE2 LYS A 922 32.766 22.034 -10.320 1.00 0.00 H new ATOM 0 HE3 LYS A 922 31.562 22.749 -9.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 33.569 22.217 -8.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 32.279 21.275 -7.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 33.446 20.583 -8.512 1.00 0.00 H new ATOM 1314 N LYS A 923 27.139 23.954 -11.064 1.00 0.00 N ATOM 1315 CA LYS A 923 26.213 25.067 -11.268 1.00 0.00 C ATOM 1316 C LYS A 923 25.814 25.168 -12.737 1.00 0.00 C ATOM 1317 O LYS A 923 26.496 25.794 -13.564 1.00 0.00 O ATOM 1318 CB LYS A 923 26.712 26.436 -10.701 1.00 0.00 C ATOM 1319 CG LYS A 923 28.024 26.970 -11.263 1.00 0.00 C ATOM 1320 CD LYS A 923 28.382 28.294 -10.608 1.00 0.00 C ATOM 1321 CE LYS A 923 29.573 28.957 -11.277 1.00 0.00 C ATOM 1322 NZ LYS A 923 30.766 28.092 -11.292 1.00 0.00 N ATOM 0 H LYS A 923 27.367 23.452 -11.922 1.00 0.00 H new ATOM 0 HA LYS A 923 25.327 24.835 -10.677 1.00 0.00 H new ATOM 0 HB2 LYS A 923 25.937 27.181 -10.879 1.00 0.00 H new ATOM 0 HB3 LYS A 923 26.819 26.339 -9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 923 28.821 26.246 -11.093 1.00 0.00 H new ATOM 0 HG3 LYS A 923 27.938 27.102 -12.342 1.00 0.00 H new ATOM 0 HD2 LYS A 923 27.523 28.964 -10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 923 28.604 28.128 -9.554 1.00 0.00 H new ATOM 0 HE2 LYS A 923 29.309 29.224 -12.300 1.00 0.00 H new ATOM 0 HE3 LYS A 923 29.808 29.885 -10.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 923 31.588 28.640 -11.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 923 30.947 27.734 -10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 923 30.606 27.291 -11.936 1.00 0.00 H new ATOM 1336 N HIS A 924 24.761 24.491 -13.066 1.00 0.00 N ATOM 1337 CA HIS A 924 24.215 24.489 -14.391 1.00 0.00 C ATOM 1338 C HIS A 924 22.771 24.085 -14.265 1.00 0.00 C ATOM 1339 O HIS A 924 22.465 22.880 -14.336 1.00 0.00 O ATOM 1340 CB HIS A 924 24.986 23.521 -15.318 1.00 0.00 C ATOM 1341 CG HIS A 924 24.530 23.554 -16.751 1.00 0.00 C ATOM 1342 ND1 HIS A 924 23.716 22.593 -17.301 1.00 0.00 N ATOM 1343 CD2 HIS A 924 24.791 24.433 -17.744 1.00 0.00 C ATOM 1344 CE1 HIS A 924 23.490 22.879 -18.565 1.00 0.00 C ATOM 1345 NE2 HIS A 924 24.131 23.988 -18.859 1.00 0.00 N ATOM 1346 OXT HIS A 924 21.944 24.958 -13.984 1.00 0.00 O ATOM 0 H HIS A 924 24.242 23.910 -12.408 1.00 0.00 H new ATOM 0 HA HIS A 924 24.303 25.477 -14.843 1.00 0.00 H new ATOM 0 HB2 HIS A 924 26.048 23.765 -15.279 1.00 0.00 H new ATOM 0 HB3 HIS A 924 24.879 22.506 -14.936 1.00 0.00 H new ATOM 0 HD2 HIS A 924 25.404 25.319 -17.672 1.00 0.00 H new ATOM 0 HE1 HIS A 924 22.882 22.301 -19.245 1.00 0.00 H new ATOM 0 HE2 HIS A 924 24.136 24.444 -19.771 1.00 0.00 H new TER 1355 HIS A 924 HETATM 1356 ZN ZN A 940 13.117 15.434 -0.976 1.00 0.00 ZN HETATM 1357 ZN ZN A 941 4.430 10.169 -9.243 1.00 0.00 ZN