USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 HIS : no HE2:sc= -4.94 K(o=-0.79,f=-2.7!) USER MOD Set 1.2: A 57 LYS NZ :NH3+ 160:sc= 2.84 (180deg=1.25) USER MOD Set 1.3: A 110 HIS : no HE2:sc= 1.31 K(o=-0.79,f=-17!) USER MOD Set 2.1: A 63 ASN : amide:sc= 1.35 K(o=3.3,f=-2.7) USER MOD Set 2.2: A 66 LYS NZ :NH3+ 171:sc= 1.4 (180deg=0) USER MOD Set 2.3: A 67 GLN : amide:sc= 0.511 K(o=3.3,f=-1.8) USER MOD Set 3.1: A 31 HIS : no HE2:sc= 0.867 K(o=-1.3,f=-10!) USER MOD Set 3.2: A 34 GLN : amide:sc= -2.21! K(o=-1.3!,f=0.49) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -178:sc= 0.71 (180deg=0.612) USER MOD Single : A 12 HIS : no HE2:sc= 0.827 K(o=0.83,f=-2.6!) USER MOD Single : A 13 MET CE :methyl -176:sc= 0 (180deg=-0.0345) USER MOD Single : A 14 LYS NZ :NH3+ 151:sc= 0.547 (180deg=0.462) USER MOD Single : A 15 LYS NZ :NH3+ 144:sc= 0.154 (180deg=-0.742) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -169:sc= 0 (180deg=-0.174) USER MOD Single : A 18 LYS NZ :NH3+ 155:sc= 0.941 (180deg=0.501) USER MOD Single : A 24 HIS : no HE2:sc= 1.15 K(o=1.2,f=-3.6!) USER MOD Single : A 28 GLN : amide:sc= 1.33 K(o=1.3,f=-2.6!) USER MOD Single : A 29 SER OG : rot -20:sc= 1.25 USER MOD Single : A 38 HIS : no HD1:sc= -0.491 X(o=-0.49,f=-0.82) USER MOD Single : A 39 LYS NZ :NH3+ -135:sc= 1.28 (180deg=-0.246) USER MOD Single : A 41 GLN : amide:sc= -0.0714 X(o=-0.071,f=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.435 X(o=-0.43,f=-0.059) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.23) USER MOD Single : A 73 LYS NZ :NH3+ 152:sc= 1.75 (180deg=0.42) USER MOD Single : A 79 THR OG1 : rot 119:sc= 1.16 USER MOD Single : A 81 ASN : amide:sc= -0.0398 X(o=-0.04,f=-0.39) USER MOD Single : A 88 TYR OH : rot -17:sc= 1.26 USER MOD Single : A 95 GLN : amide:sc= -0.557 K(o=-0.56,f=-5.4!) USER MOD Single : A 102 LYS NZ :NH3+ 179:sc= 1.18 (180deg=1.18) USER MOD Single : A 105 LYS NZ :NH3+ -153:sc= 1.22 (180deg=0.765) USER MOD Single : A 109 SER OG : rot -18:sc= 1.18 USER MOD Single : A 111 SER OG : rot -87:sc= 1.48 USER MOD Single : A 112 SER OG : rot 22:sc= 0.808 USER MOD ----------------------------------------------------------------- ATOM 84 N ARG A 7 5.003 29.582 3.967 1.00 0.00 N ATOM 85 CA ARG A 7 3.566 29.815 4.198 1.00 0.00 C ATOM 86 C ARG A 7 2.801 28.496 4.149 1.00 0.00 C ATOM 87 O ARG A 7 1.869 28.282 4.921 1.00 0.00 O ATOM 88 CB ARG A 7 2.978 30.767 3.147 1.00 0.00 C ATOM 89 CG ARG A 7 3.587 32.159 3.149 1.00 0.00 C ATOM 90 CD ARG A 7 2.979 33.015 2.053 1.00 0.00 C ATOM 91 NE ARG A 7 3.802 34.204 1.790 1.00 0.00 N ATOM 92 CZ ARG A 7 3.490 35.184 0.949 1.00 0.00 C ATOM 93 NH1 ARG A 7 2.385 35.186 0.245 1.00 0.00 N ATOM 94 NH2 ARG A 7 4.315 36.184 0.819 1.00 0.00 N ATOM 0 HA ARG A 7 3.464 30.269 5.184 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.113 30.326 2.159 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.904 30.853 3.313 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.424 32.631 4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.665 32.089 3.006 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.882 32.427 1.140 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.974 33.322 2.343 1.00 0.00 H new ATOM 0 HE ARG A 7 4.685 34.283 2.294 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.724 34.414 0.331 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.186 35.960 -0.389 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.181 36.204 1.357 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.095 36.947 0.179 1.00 0.00 H new ATOM 108 N TYR A 8 3.212 27.621 3.244 1.00 0.00 N ATOM 109 CA TYR A 8 2.561 26.331 3.037 1.00 0.00 C ATOM 110 C TYR A 8 3.085 25.227 3.946 1.00 0.00 C ATOM 111 O TYR A 8 2.556 24.120 3.945 1.00 0.00 O ATOM 112 CB TYR A 8 2.797 25.867 1.592 1.00 0.00 C ATOM 113 CG TYR A 8 2.286 26.809 0.511 1.00 0.00 C ATOM 114 CD1 TYR A 8 1.191 27.679 0.735 1.00 0.00 C ATOM 115 CD2 TYR A 8 2.905 26.828 -0.757 1.00 0.00 C ATOM 116 CE1 TYR A 8 0.746 28.562 -0.284 1.00 0.00 C ATOM 117 CE2 TYR A 8 2.453 27.704 -1.775 1.00 0.00 C ATOM 118 CZ TYR A 8 1.387 28.567 -1.526 1.00 0.00 C ATOM 119 OH TYR A 8 0.970 29.423 -2.511 1.00 0.00 O ATOM 0 H TYR A 8 4.009 27.784 2.629 1.00 0.00 H new ATOM 0 HA TYR A 8 1.507 26.491 3.263 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.867 25.720 1.446 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.321 24.896 1.458 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.689 27.671 1.691 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.735 26.166 -0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -0.085 29.227 -0.100 1.00 0.00 H new ATOM 0 HE2 TYR A 8 2.934 27.703 -2.742 1.00 0.00 H new ATOM 0 HH TYR A 8 1.524 29.297 -3.310 1.00 0.00 H new ATOM 129 N SER A 9 4.131 25.513 4.709 1.00 0.00 N ATOM 130 CA SER A 9 4.788 24.484 5.522 1.00 0.00 C ATOM 131 C SER A 9 3.849 23.775 6.490 1.00 0.00 C ATOM 132 O SER A 9 4.023 22.597 6.762 1.00 0.00 O ATOM 133 CB SER A 9 5.952 25.085 6.309 1.00 0.00 C ATOM 134 OG SER A 9 5.498 26.066 7.230 1.00 0.00 O ATOM 0 H SER A 9 4.545 26.442 4.786 1.00 0.00 H new ATOM 0 HA SER A 9 5.147 23.737 4.814 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.478 24.295 6.845 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.667 25.533 5.620 1.00 0.00 H new ATOM 0 HG SER A 9 6.263 26.433 7.721 1.00 0.00 H new ATOM 140 N LYS A 10 2.849 24.481 6.999 1.00 0.00 N ATOM 141 CA LYS A 10 1.912 23.893 7.958 1.00 0.00 C ATOM 142 C LYS A 10 1.177 22.673 7.375 1.00 0.00 C ATOM 143 O LYS A 10 1.240 21.576 7.941 1.00 0.00 O ATOM 144 CB LYS A 10 0.937 24.975 8.476 1.00 0.00 C ATOM 145 CG LYS A 10 0.141 25.722 7.387 1.00 0.00 C ATOM 146 CD LYS A 10 -0.625 26.908 7.944 1.00 0.00 C ATOM 147 CE LYS A 10 -1.609 27.457 6.903 1.00 0.00 C ATOM 148 NZ LYS A 10 -0.938 27.827 5.613 1.00 0.00 N ATOM 0 H LYS A 10 2.662 25.457 6.768 1.00 0.00 H new ATOM 0 HA LYS A 10 2.482 23.517 8.808 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.231 24.506 9.161 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.504 25.705 9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.825 26.066 6.612 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.557 25.032 6.913 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.167 26.608 8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.073 27.691 8.240 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.379 26.710 6.707 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.112 28.334 7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.641 28.224 4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.198 28.535 5.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.509 26.980 5.189 1.00 0.00 H new ATOM 162 N GLU A 11 0.498 22.844 6.252 1.00 0.00 N ATOM 163 CA GLU A 11 -0.254 21.746 5.666 1.00 0.00 C ATOM 164 C GLU A 11 0.687 20.800 4.961 1.00 0.00 C ATOM 165 O GLU A 11 0.442 19.615 4.948 1.00 0.00 O ATOM 166 CB GLU A 11 -1.303 22.259 4.688 1.00 0.00 C ATOM 167 CG GLU A 11 -2.444 23.023 5.362 1.00 0.00 C ATOM 168 CD GLU A 11 -3.267 22.132 6.270 1.00 0.00 C ATOM 169 OE1 GLU A 11 -3.933 21.214 5.756 1.00 0.00 O ATOM 170 OE2 GLU A 11 -3.249 22.331 7.510 1.00 0.00 O ATOM 0 H GLU A 11 0.452 23.721 5.733 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.768 21.217 6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.821 22.910 3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.717 21.415 4.136 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.034 23.850 5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.090 23.458 4.599 1.00 0.00 H new ATOM 177 N HIS A 12 1.770 21.310 4.391 1.00 0.00 N ATOM 178 CA HIS A 12 2.745 20.446 3.722 1.00 0.00 C ATOM 179 C HIS A 12 3.299 19.419 4.707 1.00 0.00 C ATOM 180 O HIS A 12 3.320 18.236 4.410 1.00 0.00 O ATOM 181 CB HIS A 12 3.884 21.279 3.131 1.00 0.00 C ATOM 182 CG HIS A 12 4.993 20.458 2.548 1.00 0.00 C ATOM 183 ND1 HIS A 12 4.840 19.532 1.544 1.00 0.00 N ATOM 184 CD2 HIS A 12 6.320 20.423 2.857 1.00 0.00 C ATOM 185 CE1 HIS A 12 6.028 18.995 1.287 1.00 0.00 C ATOM 186 NE2 HIS A 12 6.971 19.509 2.054 1.00 0.00 N ATOM 0 H HIS A 12 1.998 22.304 4.375 1.00 0.00 H new ATOM 0 HA HIS A 12 2.243 19.921 2.909 1.00 0.00 H new ATOM 0 HB2 HIS A 12 3.481 21.931 2.356 1.00 0.00 H new ATOM 0 HB3 HIS A 12 4.292 21.924 3.909 1.00 0.00 H new ATOM 0 HD1 HIS A 12 3.965 19.297 1.076 1.00 0.00 H new ATOM 0 HD2 HIS A 12 6.793 21.024 3.620 1.00 0.00 H new ATOM 0 HE1 HIS A 12 6.201 18.232 0.542 1.00 0.00 H new ATOM 194 N MET A 13 3.730 19.851 5.884 1.00 0.00 N ATOM 195 CA MET A 13 4.258 18.906 6.868 1.00 0.00 C ATOM 196 C MET A 13 3.149 18.020 7.418 1.00 0.00 C ATOM 197 O MET A 13 3.357 16.824 7.633 1.00 0.00 O ATOM 198 CB MET A 13 4.950 19.630 8.025 1.00 0.00 C ATOM 199 CG MET A 13 6.252 20.329 7.629 1.00 0.00 C ATOM 200 SD MET A 13 7.465 19.216 6.870 1.00 0.00 S ATOM 201 CE MET A 13 7.892 18.101 8.234 1.00 0.00 C ATOM 0 H MET A 13 3.727 20.827 6.180 1.00 0.00 H new ATOM 0 HA MET A 13 4.993 18.286 6.355 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.264 20.369 8.440 1.00 0.00 H new ATOM 0 HB3 MET A 13 5.161 18.911 8.816 1.00 0.00 H new ATOM 0 HG2 MET A 13 6.025 21.136 6.933 1.00 0.00 H new ATOM 0 HG3 MET A 13 6.694 20.787 8.514 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.679 17.419 7.913 1.00 0.00 H new ATOM 0 HE2 MET A 13 8.242 18.685 9.085 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.012 17.528 8.525 1.00 0.00 H new ATOM 211 N LYS A 14 1.965 18.582 7.639 1.00 0.00 N ATOM 212 CA LYS A 14 0.845 17.777 8.144 1.00 0.00 C ATOM 213 C LYS A 14 0.519 16.665 7.148 1.00 0.00 C ATOM 214 O LYS A 14 0.305 15.519 7.530 1.00 0.00 O ATOM 215 CB LYS A 14 -0.383 18.656 8.380 1.00 0.00 C ATOM 216 CG LYS A 14 -1.504 17.950 9.145 1.00 0.00 C ATOM 217 CD LYS A 14 -2.720 18.855 9.315 1.00 0.00 C ATOM 218 CE LYS A 14 -3.538 18.938 8.030 1.00 0.00 C ATOM 219 NZ LYS A 14 -4.631 19.953 8.148 1.00 0.00 N ATOM 0 H LYS A 14 1.753 19.567 7.483 1.00 0.00 H new ATOM 0 HA LYS A 14 1.133 17.330 9.096 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.082 19.546 8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.768 18.994 7.418 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.795 17.044 8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.139 17.641 10.125 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.347 18.477 10.123 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.394 19.854 9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.885 19.198 7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.968 17.962 7.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.841 20.348 7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.485 19.500 8.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.328 20.717 8.785 1.00 0.00 H new ATOM 233 N LYS A 15 0.499 17.019 5.873 1.00 0.00 N ATOM 234 CA LYS A 15 0.235 16.074 4.795 1.00 0.00 C ATOM 235 C LYS A 15 1.362 15.058 4.722 1.00 0.00 C ATOM 236 O LYS A 15 1.110 13.865 4.647 1.00 0.00 O ATOM 237 CB LYS A 15 0.097 16.841 3.474 1.00 0.00 C ATOM 238 CG LYS A 15 -0.253 15.983 2.295 1.00 0.00 C ATOM 239 CD LYS A 15 -0.750 16.827 1.125 1.00 0.00 C ATOM 240 CE LYS A 15 -0.896 15.991 -0.138 1.00 0.00 C ATOM 241 NZ LYS A 15 -1.586 14.684 0.112 1.00 0.00 N ATOM 0 H LYS A 15 0.666 17.973 5.553 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.695 15.538 4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.669 17.607 3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.035 17.357 3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.621 15.409 1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.021 15.264 2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.710 17.276 1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.054 17.646 0.943 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.457 16.557 -0.881 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.091 15.802 -0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.185 14.446 -0.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.876 13.937 0.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.177 14.761 0.964 1.00 0.00 H new ATOM 255 N MET A 16 2.600 15.531 4.772 1.00 0.00 N ATOM 256 CA MET A 16 3.761 14.648 4.738 1.00 0.00 C ATOM 257 C MET A 16 3.690 13.614 5.851 1.00 0.00 C ATOM 258 O MET A 16 3.914 12.439 5.610 1.00 0.00 O ATOM 259 CB MET A 16 5.064 15.451 4.863 1.00 0.00 C ATOM 260 CG MET A 16 6.311 14.578 4.867 1.00 0.00 C ATOM 261 SD MET A 16 7.832 15.529 5.030 1.00 0.00 S ATOM 262 CE MET A 16 8.767 14.485 6.161 1.00 0.00 C ATOM 0 H MET A 16 2.828 16.523 4.836 1.00 0.00 H new ATOM 0 HA MET A 16 3.754 14.133 3.777 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.127 16.159 4.037 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.035 16.036 5.782 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.246 13.864 5.688 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.347 14.000 3.943 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.737 14.941 6.360 1.00 0.00 H new ATOM 0 HE2 MET A 16 8.217 14.378 7.096 1.00 0.00 H new ATOM 0 HE3 MET A 16 8.914 13.503 5.712 1.00 0.00 H new ATOM 272 N MET A 17 3.369 14.033 7.066 1.00 0.00 N ATOM 273 CA MET A 17 3.274 13.075 8.169 1.00 0.00 C ATOM 274 C MET A 17 2.116 12.100 7.952 1.00 0.00 C ATOM 275 O MET A 17 2.260 10.906 8.182 1.00 0.00 O ATOM 276 CB MET A 17 3.111 13.800 9.506 1.00 0.00 C ATOM 277 CG MET A 17 4.360 14.576 9.921 1.00 0.00 C ATOM 278 SD MET A 17 4.192 15.379 11.536 1.00 0.00 S ATOM 279 CE MET A 17 3.060 16.722 11.170 1.00 0.00 C ATOM 0 H MET A 17 3.174 15.003 7.315 1.00 0.00 H new ATOM 0 HA MET A 17 4.203 12.505 8.194 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.268 14.488 9.439 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.868 13.072 10.280 1.00 0.00 H new ATOM 0 HG2 MET A 17 5.211 13.896 9.947 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.578 15.332 9.167 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.022 17.407 12.017 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.404 17.257 10.285 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.064 16.319 10.985 1.00 0.00 H new ATOM 289 N LYS A 18 0.974 12.601 7.499 1.00 0.00 N ATOM 290 CA LYS A 18 -0.198 11.749 7.263 1.00 0.00 C ATOM 291 C LYS A 18 0.061 10.745 6.143 1.00 0.00 C ATOM 292 O LYS A 18 -0.321 9.585 6.232 1.00 0.00 O ATOM 293 CB LYS A 18 -1.410 12.622 6.896 1.00 0.00 C ATOM 294 CG LYS A 18 -2.752 11.864 6.850 1.00 0.00 C ATOM 295 CD LYS A 18 -3.508 12.085 5.524 1.00 0.00 C ATOM 296 CE LYS A 18 -2.878 11.282 4.387 1.00 0.00 C ATOM 297 NZ LYS A 18 -3.528 11.498 3.047 1.00 0.00 N ATOM 0 H LYS A 18 0.828 13.588 7.287 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.401 11.195 8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.490 13.433 7.619 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.231 13.079 5.923 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.569 10.798 6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.378 12.189 7.681 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.551 11.793 5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.501 13.145 5.271 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.823 11.544 4.313 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.926 10.222 4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.843 11.292 2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.348 10.866 2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.842 12.486 2.969 1.00 0.00 H new ATOM 311 N ASP A 19 0.694 11.194 5.075 1.00 0.00 N ATOM 312 CA ASP A 19 0.931 10.321 3.932 1.00 0.00 C ATOM 313 C ASP A 19 2.106 9.377 4.145 1.00 0.00 C ATOM 314 O ASP A 19 2.139 8.317 3.552 1.00 0.00 O ATOM 315 CB ASP A 19 1.081 11.147 2.658 1.00 0.00 C ATOM 316 CG ASP A 19 -0.265 11.625 2.134 1.00 0.00 C ATOM 317 OD1 ASP A 19 -1.115 10.761 1.838 1.00 0.00 O ATOM 318 OD2 ASP A 19 -0.505 12.848 2.027 1.00 0.00 O ATOM 0 H ASP A 19 1.050 12.144 4.971 1.00 0.00 H new ATOM 0 HA ASP A 19 0.057 9.679 3.822 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.721 12.007 2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.578 10.549 1.893 1.00 0.00 H new ATOM 323 N LEU A 20 3.056 9.713 5.008 1.00 0.00 N ATOM 324 CA LEU A 20 4.129 8.760 5.311 1.00 0.00 C ATOM 325 C LEU A 20 3.651 7.711 6.303 1.00 0.00 C ATOM 326 O LEU A 20 4.136 6.590 6.288 1.00 0.00 O ATOM 327 CB LEU A 20 5.391 9.444 5.828 1.00 0.00 C ATOM 328 CG LEU A 20 6.245 10.119 4.741 1.00 0.00 C ATOM 329 CD1 LEU A 20 7.516 10.668 5.388 1.00 0.00 C ATOM 330 CD2 LEU A 20 6.614 9.141 3.594 1.00 0.00 C ATOM 0 H LEU A 20 3.112 10.605 5.499 1.00 0.00 H new ATOM 0 HA LEU A 20 4.391 8.272 4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.106 10.194 6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.003 8.705 6.346 1.00 0.00 H new ATOM 0 HG LEU A 20 5.661 10.925 4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.132 11.150 4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.249 11.396 6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.075 9.850 5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.217 9.663 2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.182 8.303 3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.703 8.769 3.126 1.00 0.00 H new ATOM 342 N GLU A 21 2.677 8.059 7.131 1.00 0.00 N ATOM 343 CA GLU A 21 2.011 7.069 7.983 1.00 0.00 C ATOM 344 C GLU A 21 1.362 6.100 6.992 1.00 0.00 C ATOM 345 O GLU A 21 1.457 4.877 7.119 1.00 0.00 O ATOM 346 CB GLU A 21 0.967 7.772 8.875 1.00 0.00 C ATOM 347 CG GLU A 21 -0.192 6.903 9.408 1.00 0.00 C ATOM 348 CD GLU A 21 0.155 6.104 10.657 1.00 0.00 C ATOM 349 OE1 GLU A 21 1.324 6.078 11.080 1.00 0.00 O ATOM 350 OE2 GLU A 21 -0.786 5.496 11.228 1.00 0.00 O ATOM 0 H GLU A 21 2.328 9.012 7.235 1.00 0.00 H new ATOM 0 HA GLU A 21 2.686 6.549 8.662 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.487 8.206 9.729 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.539 8.599 8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.044 7.547 9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.506 6.214 8.624 1.00 0.00 H new ATOM 357 N GLY A 22 0.725 6.666 5.974 1.00 0.00 N ATOM 358 CA GLY A 22 0.123 5.856 4.933 1.00 0.00 C ATOM 359 C GLY A 22 1.143 4.997 4.207 1.00 0.00 C ATOM 360 O GLY A 22 0.852 3.866 3.893 1.00 0.00 O ATOM 0 H GLY A 22 0.615 7.673 5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.642 5.215 5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.378 6.505 4.215 1.00 0.00 H new ATOM 364 N LEU A 23 2.335 5.517 3.947 1.00 0.00 N ATOM 365 CA LEU A 23 3.387 4.751 3.261 1.00 0.00 C ATOM 366 C LEU A 23 3.839 3.570 4.134 1.00 0.00 C ATOM 367 O LEU A 23 4.022 2.447 3.653 1.00 0.00 O ATOM 368 CB LEU A 23 4.560 5.679 2.916 1.00 0.00 C ATOM 369 CG LEU A 23 5.326 5.331 1.626 1.00 0.00 C ATOM 370 CD1 LEU A 23 6.175 6.516 1.180 1.00 0.00 C ATOM 371 CD2 LEU A 23 6.227 4.108 1.808 1.00 0.00 C ATOM 0 H LEU A 23 2.606 6.468 4.198 1.00 0.00 H new ATOM 0 HA LEU A 23 2.993 4.341 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.181 6.697 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.264 5.671 3.749 1.00 0.00 H new ATOM 0 HG LEU A 23 4.582 5.097 0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.711 6.256 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.531 7.375 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.891 6.766 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.748 3.898 0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.956 4.307 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.620 3.247 2.086 1.00 0.00 H new ATOM 383 N HIS A 24 3.987 3.814 5.427 1.00 0.00 N ATOM 384 CA HIS A 24 4.332 2.745 6.360 1.00 0.00 C ATOM 385 C HIS A 24 3.199 1.720 6.342 1.00 0.00 C ATOM 386 O HIS A 24 3.418 0.520 6.431 1.00 0.00 O ATOM 387 CB HIS A 24 4.538 3.303 7.768 1.00 0.00 C ATOM 388 CG HIS A 24 4.997 2.278 8.756 1.00 0.00 C ATOM 389 ND1 HIS A 24 5.965 1.336 8.504 1.00 0.00 N ATOM 390 CD2 HIS A 24 4.595 2.036 10.034 1.00 0.00 C ATOM 391 CE1 HIS A 24 6.114 0.591 9.592 1.00 0.00 C ATOM 392 NE2 HIS A 24 5.308 0.977 10.563 1.00 0.00 N ATOM 0 H HIS A 24 3.875 4.733 5.854 1.00 0.00 H new ATOM 0 HA HIS A 24 5.267 2.272 6.060 1.00 0.00 H new ATOM 0 HB2 HIS A 24 5.270 4.110 7.727 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.602 3.739 8.118 1.00 0.00 H new ATOM 0 HD1 HIS A 24 6.481 1.228 7.631 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.831 2.591 10.558 1.00 0.00 H new ATOM 0 HE1 HIS A 24 6.810 -0.231 9.673 1.00 0.00 H new ATOM 400 N ARG A 25 1.972 2.191 6.186 1.00 0.00 N ATOM 401 CA ARG A 25 0.839 1.277 6.028 1.00 0.00 C ATOM 402 C ARG A 25 0.797 0.596 4.652 1.00 0.00 C ATOM 403 O ARG A 25 0.187 -0.439 4.516 1.00 0.00 O ATOM 404 CB ARG A 25 -0.469 1.929 6.448 1.00 0.00 C ATOM 405 CG ARG A 25 -0.407 2.221 7.943 1.00 0.00 C ATOM 406 CD ARG A 25 -1.722 2.576 8.571 1.00 0.00 C ATOM 407 NE ARG A 25 -1.478 3.028 9.951 1.00 0.00 N ATOM 408 CZ ARG A 25 -1.279 2.246 11.005 1.00 0.00 C ATOM 409 NH1 ARG A 25 -1.291 0.938 10.948 1.00 0.00 N ATOM 410 NH2 ARG A 25 -1.045 2.813 12.152 1.00 0.00 N ATOM 0 H ARG A 25 1.731 3.182 6.165 1.00 0.00 H new ATOM 0 HA ARG A 25 0.993 0.451 6.722 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.629 2.851 5.889 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.309 1.271 6.225 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.001 1.347 8.453 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.292 3.040 8.110 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.215 3.361 7.998 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.388 1.713 8.568 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.460 4.035 10.112 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.460 0.468 10.059 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.131 0.389 11.793 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.019 3.830 12.222 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.888 2.240 12.981 1.00 0.00 H new ATOM 424 N ALA A 26 1.452 1.145 3.642 1.00 0.00 N ATOM 425 CA ALA A 26 1.611 0.434 2.370 1.00 0.00 C ATOM 426 C ALA A 26 2.625 -0.715 2.583 1.00 0.00 C ATOM 427 O ALA A 26 2.524 -1.775 1.962 1.00 0.00 O ATOM 428 CB ALA A 26 2.080 1.383 1.259 1.00 0.00 C ATOM 0 H ALA A 26 1.880 2.070 3.670 1.00 0.00 H new ATOM 0 HA ALA A 26 0.651 0.028 2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.189 0.827 0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.345 2.177 1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.040 1.820 1.535 1.00 0.00 H new ATOM 434 N GLU A 27 3.589 -0.528 3.480 1.00 0.00 N ATOM 435 CA GLU A 27 4.490 -1.647 3.833 1.00 0.00 C ATOM 436 C GLU A 27 3.628 -2.713 4.559 1.00 0.00 C ATOM 437 O GLU A 27 3.718 -3.952 4.332 1.00 0.00 O ATOM 438 CB GLU A 27 5.653 -1.185 4.723 1.00 0.00 C ATOM 439 CG GLU A 27 6.532 -0.116 4.073 1.00 0.00 C ATOM 440 CD GLU A 27 7.655 0.356 4.989 1.00 0.00 C ATOM 441 OE1 GLU A 27 8.836 0.228 4.599 1.00 0.00 O ATOM 442 OE2 GLU A 27 7.359 0.866 6.097 1.00 0.00 O ATOM 0 H GLU A 27 3.772 0.350 3.966 1.00 0.00 H new ATOM 0 HA GLU A 27 4.944 -2.059 2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.251 -0.794 5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.270 -2.047 4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.961 -0.514 3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.914 0.737 3.793 1.00 0.00 H new ATOM 449 N GLN A 28 2.753 -2.213 5.417 1.00 0.00 N ATOM 450 CA GLN A 28 1.797 -3.073 6.086 1.00 0.00 C ATOM 451 C GLN A 28 0.930 -3.757 5.024 1.00 0.00 C ATOM 452 O GLN A 28 0.570 -4.878 5.209 1.00 0.00 O ATOM 453 CB GLN A 28 0.924 -2.283 7.073 1.00 0.00 C ATOM 454 CG GLN A 28 0.096 -3.145 8.011 1.00 0.00 C ATOM 455 CD GLN A 28 -1.086 -2.389 8.584 1.00 0.00 C ATOM 456 OE1 GLN A 28 -0.945 -1.303 9.149 1.00 0.00 O ATOM 457 NE2 GLN A 28 -2.255 -2.944 8.439 1.00 0.00 N ATOM 0 H GLN A 28 2.687 -1.225 5.663 1.00 0.00 H new ATOM 0 HA GLN A 28 2.335 -3.822 6.667 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.567 -1.634 7.668 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.253 -1.636 6.508 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.262 -4.024 7.474 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.726 -3.503 8.825 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.337 -3.844 7.966 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.089 -2.479 8.798 1.00 0.00 H new ATOM 466 N SER A 29 0.604 -3.108 3.911 1.00 0.00 N ATOM 467 CA SER A 29 -0.219 -3.760 2.889 1.00 0.00 C ATOM 468 C SER A 29 0.527 -4.904 2.190 1.00 0.00 C ATOM 469 O SER A 29 -0.065 -5.950 1.994 1.00 0.00 O ATOM 470 CB SER A 29 -0.810 -2.758 1.879 1.00 0.00 C ATOM 471 OG SER A 29 0.157 -2.213 1.005 1.00 0.00 O ATOM 0 H SER A 29 0.887 -2.153 3.693 1.00 0.00 H new ATOM 0 HA SER A 29 -1.064 -4.205 3.415 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.581 -3.256 1.292 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.296 -1.948 2.423 1.00 0.00 H new ATOM 0 HG SER A 29 1.049 -2.316 1.399 1.00 0.00 H new ATOM 477 N LEU A 30 1.810 -4.753 1.848 1.00 0.00 N ATOM 478 CA LEU A 30 2.586 -5.903 1.302 1.00 0.00 C ATOM 479 C LEU A 30 2.576 -7.011 2.376 1.00 0.00 C ATOM 480 O LEU A 30 2.229 -8.202 2.110 1.00 0.00 O ATOM 481 CB LEU A 30 4.021 -5.529 0.876 1.00 0.00 C ATOM 482 CG LEU A 30 4.878 -4.405 1.457 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.969 -4.970 2.362 1.00 0.00 C ATOM 484 CD2 LEU A 30 5.542 -3.584 0.346 1.00 0.00 C ATOM 0 H LEU A 30 2.332 -3.881 1.930 1.00 0.00 H new ATOM 0 HA LEU A 30 2.114 -6.249 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.609 -6.438 1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.965 -5.330 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 30 4.215 -3.761 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.567 -4.153 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.511 -5.523 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.609 -5.639 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.145 -2.792 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.180 -4.233 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.774 -3.143 -0.289 1.00 0.00 H new ATOM 496 N HIS A 31 2.929 -6.658 3.605 1.00 0.00 N ATOM 497 CA HIS A 31 2.987 -7.709 4.616 1.00 0.00 C ATOM 498 C HIS A 31 1.627 -8.296 5.034 1.00 0.00 C ATOM 499 O HIS A 31 1.554 -9.474 5.367 1.00 0.00 O ATOM 500 CB HIS A 31 3.858 -7.294 5.785 1.00 0.00 C ATOM 501 CG HIS A 31 5.322 -7.311 5.451 1.00 0.00 C ATOM 502 ND1 HIS A 31 5.865 -7.940 4.345 1.00 0.00 N ATOM 503 CD2 HIS A 31 6.386 -6.763 6.100 1.00 0.00 C ATOM 504 CE1 HIS A 31 7.181 -7.764 4.375 1.00 0.00 C ATOM 505 NE2 HIS A 31 7.557 -7.056 5.422 1.00 0.00 N ATOM 0 H HIS A 31 3.166 -5.716 3.916 1.00 0.00 H new ATOM 0 HA HIS A 31 3.470 -8.557 4.131 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.574 -6.292 6.106 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.673 -7.963 6.626 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.345 -8.450 3.631 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.325 -6.185 7.010 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.861 -8.154 3.632 1.00 0.00 H new ATOM 513 N ASP A 32 0.558 -7.521 4.971 1.00 0.00 N ATOM 514 CA ASP A 32 -0.793 -8.039 5.219 1.00 0.00 C ATOM 515 C ASP A 32 -1.165 -8.939 4.058 1.00 0.00 C ATOM 516 O ASP A 32 -1.844 -9.941 4.242 1.00 0.00 O ATOM 517 CB ASP A 32 -1.847 -6.923 5.296 1.00 0.00 C ATOM 518 CG ASP A 32 -1.872 -6.213 6.645 1.00 0.00 C ATOM 519 OD1 ASP A 32 -2.639 -5.229 6.768 1.00 0.00 O ATOM 520 OD2 ASP A 32 -1.157 -6.624 7.580 1.00 0.00 O ATOM 0 H ASP A 32 0.591 -6.526 4.750 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.781 -8.563 6.175 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.651 -6.192 4.512 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.831 -7.347 5.098 1.00 0.00 H new ATOM 525 N LEU A 33 -0.714 -8.594 2.857 1.00 0.00 N ATOM 526 CA LEU A 33 -0.971 -9.422 1.684 1.00 0.00 C ATOM 527 C LEU A 33 -0.323 -10.783 1.916 1.00 0.00 C ATOM 528 O LEU A 33 -0.985 -11.813 1.728 1.00 0.00 O ATOM 529 CB LEU A 33 -0.452 -8.771 0.387 1.00 0.00 C ATOM 530 CG LEU A 33 -1.449 -7.879 -0.377 1.00 0.00 C ATOM 531 CD1 LEU A 33 -0.725 -6.777 -1.163 1.00 0.00 C ATOM 532 CD2 LEU A 33 -2.281 -8.718 -1.343 1.00 0.00 C ATOM 0 H LEU A 33 -0.171 -7.751 2.670 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.047 -9.534 1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.425 -8.171 0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.119 -9.563 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.101 -7.412 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.457 -6.166 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.158 -6.151 -0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.045 -7.231 -1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.981 -8.073 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.622 -9.208 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.835 -9.473 -0.785 1.00 0.00 H new ATOM 544 N GLN A 34 0.937 -10.841 2.352 1.00 0.00 N ATOM 545 CA GLN A 34 1.489 -12.199 2.632 1.00 0.00 C ATOM 546 C GLN A 34 0.907 -12.879 3.905 1.00 0.00 C ATOM 547 O GLN A 34 0.729 -14.116 3.936 1.00 0.00 O ATOM 548 CB GLN A 34 3.026 -12.281 2.669 1.00 0.00 C ATOM 549 CG GLN A 34 3.763 -11.032 3.073 1.00 0.00 C ATOM 550 CD GLN A 34 4.249 -10.181 1.904 1.00 0.00 C ATOM 551 OE1 GLN A 34 5.131 -9.335 2.095 1.00 0.00 O ATOM 552 NE2 GLN A 34 3.692 -10.379 0.714 1.00 0.00 N ATOM 0 H GLN A 34 1.560 -10.050 2.513 1.00 0.00 H new ATOM 0 HA GLN A 34 1.150 -12.758 1.760 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.307 -13.079 3.357 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.374 -12.576 1.679 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.109 -10.426 3.701 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.621 -11.313 3.684 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.967 -11.088 0.602 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.989 -9.822 -0.087 1.00 0.00 H new ATOM 561 N GLU A 35 0.594 -12.120 4.947 1.00 0.00 N ATOM 562 CA GLU A 35 0.019 -12.732 6.152 1.00 0.00 C ATOM 563 C GLU A 35 -1.354 -13.310 5.814 1.00 0.00 C ATOM 564 O GLU A 35 -1.690 -14.427 6.207 1.00 0.00 O ATOM 565 CB GLU A 35 -0.107 -11.735 7.314 1.00 0.00 C ATOM 566 CG GLU A 35 -0.547 -12.426 8.610 1.00 0.00 C ATOM 567 CD GLU A 35 -0.758 -11.477 9.779 1.00 0.00 C ATOM 568 OE1 GLU A 35 0.216 -10.855 10.241 1.00 0.00 O ATOM 569 OE2 GLU A 35 -1.919 -11.375 10.248 1.00 0.00 O ATOM 0 H GLU A 35 0.721 -11.109 4.991 1.00 0.00 H new ATOM 0 HA GLU A 35 0.696 -13.521 6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.850 -11.239 7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.828 -10.960 7.052 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.474 -12.967 8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.204 -13.166 8.888 1.00 0.00 H new ATOM 576 N ARG A 36 -2.155 -12.572 5.063 1.00 0.00 N ATOM 577 CA ARG A 36 -3.456 -13.086 4.669 1.00 0.00 C ATOM 578 C ARG A 36 -3.280 -14.190 3.634 1.00 0.00 C ATOM 579 O ARG A 36 -4.159 -14.992 3.489 1.00 0.00 O ATOM 580 CB ARG A 36 -4.395 -11.973 4.192 1.00 0.00 C ATOM 581 CG ARG A 36 -5.855 -12.450 4.017 1.00 0.00 C ATOM 582 CD ARG A 36 -6.822 -11.291 3.860 1.00 0.00 C ATOM 583 NE ARG A 36 -8.148 -11.742 3.391 1.00 0.00 N ATOM 584 CZ ARG A 36 -9.153 -10.942 3.045 1.00 0.00 C ATOM 585 NH1 ARG A 36 -9.060 -9.635 3.107 1.00 0.00 N ATOM 586 NH2 ARG A 36 -10.270 -11.461 2.621 1.00 0.00 N ATOM 0 H ARG A 36 -1.935 -11.637 4.721 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.940 -13.518 5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.370 -11.152 4.908 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.031 -11.579 3.243 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.922 -13.097 3.143 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.146 -13.049 4.880 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.930 -10.776 4.815 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.413 -10.569 3.153 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.306 -12.748 3.327 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.195 -9.200 3.429 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.852 -9.054 2.833 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.369 -12.474 2.556 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.045 -10.854 2.354 1.00 0.00 H new ATOM 600 N LEU A 37 -2.144 -14.275 2.949 1.00 0.00 N ATOM 601 CA LEU A 37 -1.851 -15.456 2.110 1.00 0.00 C ATOM 602 C LEU A 37 -1.615 -16.657 3.038 1.00 0.00 C ATOM 603 O LEU A 37 -2.142 -17.782 2.808 1.00 0.00 O ATOM 604 CB LEU A 37 -0.608 -15.218 1.239 1.00 0.00 C ATOM 605 CG LEU A 37 0.306 -16.411 0.891 1.00 0.00 C ATOM 606 CD1 LEU A 37 -0.364 -17.374 -0.081 1.00 0.00 C ATOM 607 CD2 LEU A 37 1.620 -15.901 0.302 1.00 0.00 C ATOM 0 H LEU A 37 -1.416 -13.560 2.950 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.693 -15.645 1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.944 -14.778 0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.006 -14.470 1.740 1.00 0.00 H new ATOM 0 HG LEU A 37 0.505 -16.959 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.313 -18.200 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.279 -17.764 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.606 -16.849 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.262 -16.747 0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.415 -15.328 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.122 -15.263 1.030 1.00 0.00 H new ATOM 619 N HIS A 38 -0.836 -16.429 4.096 1.00 0.00 N ATOM 620 CA HIS A 38 -0.582 -17.498 5.068 1.00 0.00 C ATOM 621 C HIS A 38 -1.937 -17.998 5.570 1.00 0.00 C ATOM 622 O HIS A 38 -2.155 -19.200 5.637 1.00 0.00 O ATOM 623 CB HIS A 38 0.358 -17.033 6.204 1.00 0.00 C ATOM 624 CG HIS A 38 -0.232 -17.124 7.582 1.00 0.00 C ATOM 625 ND1 HIS A 38 -0.507 -18.298 8.249 1.00 0.00 N ATOM 626 CD2 HIS A 38 -0.585 -16.140 8.455 1.00 0.00 C ATOM 627 CE1 HIS A 38 -1.010 -17.992 9.440 1.00 0.00 C ATOM 628 NE2 HIS A 38 -1.079 -16.688 9.621 1.00 0.00 N ATOM 0 H HIS A 38 -0.380 -15.540 4.301 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.051 -18.325 4.597 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.268 -17.632 6.173 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.650 -16.000 6.016 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -0.492 -15.081 8.262 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.324 -18.723 10.171 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.423 -16.192 10.444 1.00 0.00 H new ATOM 636 N LYS A 39 -2.854 -17.087 5.872 1.00 0.00 N ATOM 637 CA LYS A 39 -4.211 -17.469 6.290 1.00 0.00 C ATOM 638 C LYS A 39 -5.035 -18.045 5.141 1.00 0.00 C ATOM 639 O LYS A 39 -5.807 -18.964 5.337 1.00 0.00 O ATOM 640 CB LYS A 39 -4.924 -16.260 6.886 1.00 0.00 C ATOM 641 CG LYS A 39 -4.248 -15.779 8.154 1.00 0.00 C ATOM 642 CD LYS A 39 -4.837 -14.496 8.673 1.00 0.00 C ATOM 643 CE LYS A 39 -4.004 -14.017 9.849 1.00 0.00 C ATOM 644 NZ LYS A 39 -4.390 -12.645 10.290 1.00 0.00 N ATOM 0 H LYS A 39 -2.691 -16.081 5.838 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.113 -18.253 7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.943 -15.452 6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.961 -16.519 7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.332 -16.549 8.921 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.185 -15.635 7.962 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.850 -13.741 7.887 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.871 -14.653 8.981 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.121 -14.711 10.681 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.950 -14.025 9.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.533 -12.078 10.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.971 -12.194 9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.935 -12.705 11.173 1.00 0.00 H new ATOM 658 N ALA A 40 -4.858 -17.522 3.937 1.00 0.00 N ATOM 659 CA ALA A 40 -5.564 -18.013 2.756 1.00 0.00 C ATOM 660 C ALA A 40 -5.210 -19.472 2.580 1.00 0.00 C ATOM 661 O ALA A 40 -6.044 -20.288 2.155 1.00 0.00 O ATOM 662 CB ALA A 40 -5.183 -17.216 1.505 1.00 0.00 C ATOM 0 H ALA A 40 -4.223 -16.747 3.748 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.638 -17.892 2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.726 -17.607 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.440 -16.167 1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.111 -17.306 1.329 1.00 0.00 H new ATOM 668 N GLN A 41 -3.990 -19.849 2.925 1.00 0.00 N ATOM 669 CA GLN A 41 -3.750 -21.274 2.879 1.00 0.00 C ATOM 670 C GLN A 41 -4.254 -21.912 4.187 1.00 0.00 C ATOM 671 O GLN A 41 -5.224 -22.674 4.188 1.00 0.00 O ATOM 672 CB GLN A 41 -2.243 -21.530 2.743 1.00 0.00 C ATOM 673 CG GLN A 41 -1.630 -20.980 1.456 1.00 0.00 C ATOM 674 CD GLN A 41 -0.129 -20.823 1.562 1.00 0.00 C ATOM 675 OE1 GLN A 41 0.632 -21.567 0.971 1.00 0.00 O ATOM 676 NE2 GLN A 41 0.299 -19.842 2.308 1.00 0.00 N ATOM 0 H GLN A 41 -3.217 -19.250 3.214 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.275 -21.708 2.028 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.731 -21.084 3.596 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.062 -22.604 2.789 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.867 -21.648 0.628 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.080 -20.014 1.225 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.368 -19.238 2.789 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.301 -19.679 2.411 1.00 0.00 H new ATOM 685 N GLU A 42 -3.646 -21.544 5.302 1.00 0.00 N ATOM 686 CA GLU A 42 -3.811 -22.287 6.554 1.00 0.00 C ATOM 687 C GLU A 42 -5.234 -22.356 7.063 1.00 0.00 C ATOM 688 O GLU A 42 -5.685 -23.406 7.531 1.00 0.00 O ATOM 689 CB GLU A 42 -2.873 -21.698 7.609 1.00 0.00 C ATOM 690 CG GLU A 42 -2.640 -22.607 8.811 1.00 0.00 C ATOM 691 CD GLU A 42 -1.451 -22.161 9.660 1.00 0.00 C ATOM 692 OE1 GLU A 42 -0.795 -21.152 9.308 1.00 0.00 O ATOM 693 OE2 GLU A 42 -1.164 -22.830 10.677 1.00 0.00 O ATOM 0 H GLU A 42 -3.031 -20.734 5.373 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.548 -23.324 6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.913 -21.476 7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.285 -20.751 7.958 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.538 -22.624 9.429 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.473 -23.627 8.464 1.00 0.00 H new ATOM 700 N GLU A 43 -5.950 -21.254 6.956 1.00 0.00 N ATOM 701 CA GLU A 43 -7.334 -21.204 7.383 1.00 0.00 C ATOM 702 C GLU A 43 -8.291 -21.436 6.212 1.00 0.00 C ATOM 703 O GLU A 43 -9.351 -22.036 6.401 1.00 0.00 O ATOM 704 CB GLU A 43 -7.640 -19.843 8.027 1.00 0.00 C ATOM 705 CG GLU A 43 -6.763 -19.529 9.242 1.00 0.00 C ATOM 706 CD GLU A 43 -7.195 -18.255 9.967 1.00 0.00 C ATOM 707 OE1 GLU A 43 -7.603 -18.351 11.146 1.00 0.00 O ATOM 708 OE2 GLU A 43 -7.118 -17.160 9.367 1.00 0.00 O ATOM 0 H GLU A 43 -5.594 -20.377 6.575 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.482 -22.000 8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.507 -19.059 7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.687 -19.821 8.330 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.799 -20.368 9.937 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.727 -19.426 8.920 1.00 0.00 H new ATOM 715 N HIS A 44 -7.962 -20.936 5.022 1.00 0.00 N ATOM 716 CA HIS A 44 -8.960 -20.973 3.933 1.00 0.00 C ATOM 717 C HIS A 44 -8.877 -22.119 2.937 1.00 0.00 C ATOM 718 O HIS A 44 -9.916 -22.611 2.505 1.00 0.00 O ATOM 719 CB HIS A 44 -9.032 -19.631 3.194 1.00 0.00 C ATOM 720 CG HIS A 44 -9.403 -18.477 4.073 1.00 0.00 C ATOM 721 ND1 HIS A 44 -10.691 -18.134 4.394 1.00 0.00 N ATOM 722 CD2 HIS A 44 -8.626 -17.556 4.708 1.00 0.00 C ATOM 723 CE1 HIS A 44 -10.654 -17.060 5.177 1.00 0.00 C ATOM 724 NE2 HIS A 44 -9.419 -16.659 5.393 1.00 0.00 N ATOM 0 H HIS A 44 -7.062 -20.519 4.785 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.885 -21.171 4.474 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.065 -19.428 2.733 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.760 -19.710 2.387 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -7.547 -17.532 4.679 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.529 -16.576 5.585 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.114 -15.858 5.947 1.00 0.00 H new ATOM 732 N ARG A 45 -7.672 -22.545 2.564 1.00 0.00 N ATOM 733 CA ARG A 45 -7.503 -23.678 1.624 1.00 0.00 C ATOM 734 C ARG A 45 -8.423 -23.549 0.398 1.00 0.00 C ATOM 735 O ARG A 45 -9.208 -24.442 0.087 1.00 0.00 O ATOM 736 CB ARG A 45 -7.750 -25.009 2.362 1.00 0.00 C ATOM 737 CG ARG A 45 -6.502 -25.585 3.016 1.00 0.00 C ATOM 738 CD ARG A 45 -6.827 -26.436 4.238 1.00 0.00 C ATOM 739 NE ARG A 45 -7.034 -25.614 5.446 1.00 0.00 N ATOM 740 CZ ARG A 45 -8.206 -25.344 6.012 1.00 0.00 C ATOM 741 NH1 ARG A 45 -9.344 -25.771 5.541 1.00 0.00 N ATOM 742 NH2 ARG A 45 -8.220 -24.624 7.089 1.00 0.00 N ATOM 0 H ARG A 45 -6.797 -22.134 2.889 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.478 -23.661 1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.512 -24.855 3.126 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.149 -25.737 1.656 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.960 -26.190 2.289 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.840 -24.770 3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.724 -27.024 4.042 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.015 -27.142 4.415 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.203 -25.218 5.886 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.364 -26.343 4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.214 -25.533 6.017 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.345 -24.279 7.483 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.106 -24.402 7.543 1.00 0.00 H new ATOM 756 N THR A 46 -8.320 -22.418 -0.285 1.00 0.00 N ATOM 757 CA THR A 46 -9.096 -22.159 -1.505 1.00 0.00 C ATOM 758 C THR A 46 -8.720 -23.174 -2.609 1.00 0.00 C ATOM 759 O THR A 46 -7.750 -23.916 -2.476 1.00 0.00 O ATOM 760 CB THR A 46 -8.856 -20.695 -1.984 1.00 0.00 C ATOM 761 OG1 THR A 46 -9.607 -20.429 -3.172 1.00 0.00 O ATOM 762 CG2 THR A 46 -7.386 -20.440 -2.265 1.00 0.00 C ATOM 0 H THR A 46 -7.701 -21.653 -0.017 1.00 0.00 H new ATOM 0 HA THR A 46 -10.157 -22.281 -1.286 1.00 0.00 H new ATOM 0 HB THR A 46 -9.183 -20.033 -1.182 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.448 -19.506 -3.460 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.252 -19.410 -2.597 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.808 -20.606 -1.356 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.041 -21.120 -3.044 1.00 0.00 H new ATOM 770 N VAL A 47 -9.477 -23.203 -3.702 1.00 0.00 N ATOM 771 CA VAL A 47 -9.247 -24.168 -4.794 1.00 0.00 C ATOM 772 C VAL A 47 -7.841 -24.085 -5.392 1.00 0.00 C ATOM 773 O VAL A 47 -7.327 -25.059 -5.932 1.00 0.00 O ATOM 774 CB VAL A 47 -10.276 -23.972 -5.966 1.00 0.00 C ATOM 775 CG1 VAL A 47 -11.686 -24.338 -5.517 1.00 0.00 C ATOM 776 CG2 VAL A 47 -10.271 -22.513 -6.495 1.00 0.00 C ATOM 0 H VAL A 47 -10.260 -22.570 -3.863 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.374 -25.146 -4.329 1.00 0.00 H new ATOM 0 HB VAL A 47 -9.968 -24.636 -6.773 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.380 -24.194 -6.345 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -11.708 -25.381 -5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.979 -23.701 -4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.995 -22.417 -7.304 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.538 -21.832 -5.687 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.277 -22.264 -6.866 1.00 0.00 H new ATOM 786 N GLU A 48 -7.225 -22.918 -5.296 1.00 0.00 N ATOM 787 CA GLU A 48 -5.899 -22.687 -5.858 1.00 0.00 C ATOM 788 C GLU A 48 -4.801 -22.718 -4.789 1.00 0.00 C ATOM 789 O GLU A 48 -3.715 -22.215 -5.017 1.00 0.00 O ATOM 790 CB GLU A 48 -5.887 -21.334 -6.584 1.00 0.00 C ATOM 791 CG GLU A 48 -6.345 -20.179 -5.710 1.00 0.00 C ATOM 792 CD GLU A 48 -6.106 -18.826 -6.345 1.00 0.00 C ATOM 793 OE1 GLU A 48 -5.874 -17.862 -5.583 1.00 0.00 O ATOM 794 OE2 GLU A 48 -6.158 -18.715 -7.588 1.00 0.00 O ATOM 0 H GLU A 48 -7.626 -22.105 -4.828 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.687 -23.494 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.878 -21.131 -6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.531 -21.394 -7.461 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.408 -20.291 -5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.822 -20.224 -4.755 1.00 0.00 H new ATOM 801 N VAL A 49 -5.073 -23.314 -3.631 1.00 0.00 N ATOM 802 CA VAL A 49 -4.097 -23.358 -2.520 1.00 0.00 C ATOM 803 C VAL A 49 -2.728 -23.935 -2.939 1.00 0.00 C ATOM 804 O VAL A 49 -1.698 -23.578 -2.380 1.00 0.00 O ATOM 805 CB VAL A 49 -4.693 -24.138 -1.287 1.00 0.00 C ATOM 806 CG1 VAL A 49 -4.871 -25.638 -1.590 1.00 0.00 C ATOM 807 CG2 VAL A 49 -3.838 -23.943 -0.037 1.00 0.00 C ATOM 0 H VAL A 49 -5.959 -23.777 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.911 -22.325 -2.225 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.680 -23.717 -1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.284 -26.139 -0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.551 -25.761 -2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.904 -26.077 -1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.278 -24.494 0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.830 -24.312 -0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.795 -22.883 0.213 1.00 0.00 H new ATOM 817 N GLU A 50 -2.719 -24.798 -3.946 1.00 0.00 N ATOM 818 CA GLU A 50 -1.482 -25.380 -4.481 1.00 0.00 C ATOM 819 C GLU A 50 -0.540 -24.300 -5.051 1.00 0.00 C ATOM 820 O GLU A 50 0.682 -24.460 -5.064 1.00 0.00 O ATOM 821 CB GLU A 50 -1.868 -26.368 -5.600 1.00 0.00 C ATOM 822 CG GLU A 50 -0.709 -27.164 -6.239 1.00 0.00 C ATOM 823 CD GLU A 50 -0.168 -28.289 -5.354 1.00 0.00 C ATOM 824 OE1 GLU A 50 -0.755 -28.574 -4.288 1.00 0.00 O ATOM 825 OE2 GLU A 50 0.854 -28.899 -5.746 1.00 0.00 O ATOM 0 H GLU A 50 -3.564 -25.118 -4.419 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.950 -25.883 -3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.589 -27.078 -5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.376 -25.812 -6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.050 -27.590 -7.183 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.104 -26.477 -6.475 1.00 0.00 H new ATOM 832 N LYS A 51 -1.109 -23.205 -5.542 1.00 0.00 N ATOM 833 CA LYS A 51 -0.327 -22.164 -6.214 1.00 0.00 C ATOM 834 C LYS A 51 -0.915 -20.758 -6.040 1.00 0.00 C ATOM 835 O LYS A 51 -0.832 -19.939 -6.948 1.00 0.00 O ATOM 836 CB LYS A 51 -0.274 -22.526 -7.703 1.00 0.00 C ATOM 837 CG LYS A 51 0.989 -22.097 -8.421 1.00 0.00 C ATOM 838 CD LYS A 51 0.899 -22.525 -9.870 1.00 0.00 C ATOM 839 CE LYS A 51 2.138 -22.132 -10.645 1.00 0.00 C ATOM 840 NZ LYS A 51 2.008 -22.574 -12.074 1.00 0.00 N ATOM 0 H LYS A 51 -2.109 -23.011 -5.489 1.00 0.00 H new ATOM 0 HA LYS A 51 0.666 -22.130 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.382 -23.606 -7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.130 -22.072 -8.203 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.112 -21.016 -8.354 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.862 -22.547 -7.949 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.763 -23.605 -9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.022 -22.071 -10.330 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.278 -21.052 -10.601 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.020 -22.587 -10.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.862 -22.301 -12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.895 -23.607 -12.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.177 -22.120 -12.503 1.00 0.00 H new ATOM 854 N VAL A 52 -1.510 -20.504 -4.881 1.00 0.00 N ATOM 855 CA VAL A 52 -2.206 -19.232 -4.592 1.00 0.00 C ATOM 856 C VAL A 52 -1.453 -17.974 -5.017 1.00 0.00 C ATOM 857 O VAL A 52 -1.989 -17.133 -5.724 1.00 0.00 O ATOM 858 CB VAL A 52 -2.507 -19.079 -3.063 1.00 0.00 C ATOM 859 CG1 VAL A 52 -3.980 -19.292 -2.781 1.00 0.00 C ATOM 860 CG2 VAL A 52 -1.664 -20.055 -2.218 1.00 0.00 C ATOM 0 H VAL A 52 -1.530 -21.168 -4.107 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.117 -19.305 -5.185 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.235 -18.062 -2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.166 -19.181 -1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.566 -18.555 -3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.270 -20.294 -3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.900 -19.920 -1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.890 -21.080 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.605 -19.856 -2.381 1.00 0.00 H new ATOM 870 N HIS A 53 -0.209 -17.841 -4.577 1.00 0.00 N ATOM 871 CA HIS A 53 0.584 -16.659 -4.913 1.00 0.00 C ATOM 872 C HIS A 53 1.894 -17.045 -5.585 1.00 0.00 C ATOM 873 O HIS A 53 2.187 -16.645 -6.724 1.00 0.00 O ATOM 874 CB HIS A 53 0.929 -15.837 -3.657 1.00 0.00 C ATOM 875 CG HIS A 53 -0.239 -15.133 -3.032 1.00 0.00 C ATOM 876 ND1 HIS A 53 -0.133 -13.989 -2.281 1.00 0.00 N ATOM 877 CD2 HIS A 53 -1.571 -15.423 -3.036 1.00 0.00 C ATOM 878 CE1 HIS A 53 -1.344 -13.653 -1.860 1.00 0.00 C ATOM 879 NE2 HIS A 53 -2.256 -14.496 -2.284 1.00 0.00 N ATOM 0 H HIS A 53 0.271 -18.526 -3.993 1.00 0.00 H new ATOM 0 HA HIS A 53 -0.027 -16.065 -5.593 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.376 -16.500 -2.916 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.685 -15.097 -3.919 1.00 0.00 H new ATOM 0 HD1 HIS A 53 0.730 -13.484 -2.081 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.022 -16.257 -3.553 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.554 -12.791 -1.244 1.00 0.00 H new ATOM 887 N LEU A 54 2.687 -17.812 -4.846 1.00 0.00 N ATOM 888 CA LEU A 54 4.038 -18.192 -5.251 1.00 0.00 C ATOM 889 C LEU A 54 4.895 -16.922 -5.405 1.00 0.00 C ATOM 890 O LEU A 54 4.432 -15.789 -5.177 1.00 0.00 O ATOM 891 CB LEU A 54 4.013 -19.031 -6.546 1.00 0.00 C ATOM 892 CG LEU A 54 4.998 -20.209 -6.632 1.00 0.00 C ATOM 893 CD1 LEU A 54 4.626 -21.327 -5.653 1.00 0.00 C ATOM 894 CD2 LEU A 54 5.009 -20.757 -8.057 1.00 0.00 C ATOM 0 H LEU A 54 2.409 -18.192 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 54 4.485 -18.821 -4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.004 -19.422 -6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.208 -18.364 -7.386 1.00 0.00 H new ATOM 0 HG LEU A 54 5.989 -19.844 -6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.344 -22.142 -5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.642 -20.939 -4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.627 -21.696 -5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.707 -21.592 -8.120 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.009 -21.099 -8.323 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.320 -19.972 -8.746 1.00 0.00 H new ATOM 906 N GLU A 55 6.151 -17.111 -5.780 1.00 0.00 N ATOM 907 CA GLU A 55 7.073 -15.988 -5.902 1.00 0.00 C ATOM 908 C GLU A 55 6.541 -14.943 -6.868 1.00 0.00 C ATOM 909 O GLU A 55 6.622 -13.760 -6.587 1.00 0.00 O ATOM 910 CB GLU A 55 8.452 -16.477 -6.359 1.00 0.00 C ATOM 911 CG GLU A 55 9.555 -15.434 -6.187 1.00 0.00 C ATOM 912 CD GLU A 55 10.017 -14.825 -7.506 1.00 0.00 C ATOM 913 OE1 GLU A 55 11.205 -14.992 -7.843 1.00 0.00 O ATOM 914 OE2 GLU A 55 9.216 -14.166 -8.201 1.00 0.00 O ATOM 0 H GLU A 55 6.554 -18.021 -6.003 1.00 0.00 H new ATOM 0 HA GLU A 55 7.169 -15.525 -4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.717 -17.371 -5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.397 -16.767 -7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.196 -14.639 -5.533 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.408 -15.895 -5.689 1.00 0.00 H new ATOM 921 N LYS A 56 5.984 -15.374 -7.997 1.00 0.00 N ATOM 922 CA LYS A 56 5.494 -14.416 -8.987 1.00 0.00 C ATOM 923 C LYS A 56 4.440 -13.485 -8.416 1.00 0.00 C ATOM 924 O LYS A 56 4.586 -12.277 -8.523 1.00 0.00 O ATOM 925 CB LYS A 56 4.916 -15.099 -10.234 1.00 0.00 C ATOM 926 CG LYS A 56 4.552 -14.065 -11.323 1.00 0.00 C ATOM 927 CD LYS A 56 3.709 -14.630 -12.449 1.00 0.00 C ATOM 928 CE LYS A 56 3.307 -13.486 -13.391 1.00 0.00 C ATOM 929 NZ LYS A 56 2.328 -13.911 -14.450 1.00 0.00 N ATOM 0 H LYS A 56 5.862 -16.355 -8.247 1.00 0.00 H new ATOM 0 HA LYS A 56 6.371 -13.836 -9.274 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.641 -15.809 -10.632 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.029 -15.670 -9.960 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.014 -13.238 -10.860 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.471 -13.654 -11.741 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.269 -15.389 -12.995 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.821 -15.117 -12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.871 -12.677 -12.805 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.201 -13.087 -13.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.095 -13.097 -15.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.750 -14.664 -15.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.461 -14.267 -13.999 1.00 0.00 H new ATOM 943 N LYS A 57 3.370 -14.012 -7.832 1.00 0.00 N ATOM 944 CA LYS A 57 2.314 -13.121 -7.365 1.00 0.00 C ATOM 945 C LYS A 57 2.736 -12.432 -6.089 1.00 0.00 C ATOM 946 O LYS A 57 2.304 -11.329 -5.855 1.00 0.00 O ATOM 947 CB LYS A 57 0.982 -13.842 -7.187 1.00 0.00 C ATOM 948 CG LYS A 57 -0.227 -12.911 -7.123 1.00 0.00 C ATOM 949 CD LYS A 57 -0.763 -12.795 -5.703 1.00 0.00 C ATOM 950 CE LYS A 57 -1.846 -11.745 -5.624 1.00 0.00 C ATOM 951 NZ LYS A 57 -2.367 -11.584 -4.228 1.00 0.00 N ATOM 0 H LYS A 57 3.212 -15.007 -7.675 1.00 0.00 H new ATOM 0 HA LYS A 57 2.158 -12.367 -8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.846 -14.540 -8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.021 -14.433 -6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.052 -11.923 -7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.012 -13.285 -7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.159 -13.758 -5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.049 -12.539 -5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.454 -10.791 -5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.666 -12.018 -6.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.839 -10.662 -4.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.048 -12.343 -4.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.576 -11.636 -3.554 1.00 0.00 H new ATOM 965 N LEU A 58 3.590 -13.034 -5.270 1.00 0.00 N ATOM 966 CA LEU A 58 4.059 -12.299 -4.088 1.00 0.00 C ATOM 967 C LEU A 58 4.845 -11.064 -4.569 1.00 0.00 C ATOM 968 O LEU A 58 4.639 -9.940 -4.108 1.00 0.00 O ATOM 969 CB LEU A 58 4.911 -13.195 -3.182 1.00 0.00 C ATOM 970 CG LEU A 58 5.248 -12.586 -1.809 1.00 0.00 C ATOM 971 CD1 LEU A 58 5.304 -13.695 -0.760 1.00 0.00 C ATOM 972 CD2 LEU A 58 6.581 -11.827 -1.822 1.00 0.00 C ATOM 0 H LEU A 58 3.959 -13.978 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 58 3.208 -11.976 -3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.385 -14.137 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.842 -13.431 -3.698 1.00 0.00 H new ATOM 0 HG LEU A 58 4.463 -11.870 -1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.543 -13.264 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.337 -14.196 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.072 -14.418 -1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.775 -11.416 -0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.386 -12.509 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.531 -11.016 -2.548 1.00 0.00 H new ATOM 984 N ARG A 59 5.735 -11.275 -5.526 1.00 0.00 N ATOM 985 CA ARG A 59 6.526 -10.182 -6.090 1.00 0.00 C ATOM 986 C ARG A 59 5.604 -9.130 -6.699 1.00 0.00 C ATOM 987 O ARG A 59 5.859 -7.938 -6.577 1.00 0.00 O ATOM 988 CB ARG A 59 7.477 -10.743 -7.156 1.00 0.00 C ATOM 989 CG ARG A 59 8.439 -9.731 -7.753 1.00 0.00 C ATOM 990 CD ARG A 59 9.251 -10.357 -8.892 1.00 0.00 C ATOM 991 NE ARG A 59 10.149 -11.437 -8.438 1.00 0.00 N ATOM 992 CZ ARG A 59 11.382 -11.270 -7.971 1.00 0.00 C ATOM 993 NH1 ARG A 59 11.929 -10.085 -7.838 1.00 0.00 N ATOM 994 NH2 ARG A 59 12.088 -12.310 -7.639 1.00 0.00 N ATOM 0 H ARG A 59 5.931 -12.190 -5.931 1.00 0.00 H new ATOM 0 HA ARG A 59 7.112 -9.710 -5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.055 -11.555 -6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.882 -11.175 -7.961 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.883 -8.871 -8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.113 -9.363 -6.979 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.567 -10.753 -9.643 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.843 -9.581 -9.378 1.00 0.00 H new ATOM 0 HE ARG A 59 9.793 -12.392 -8.487 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.405 -9.249 -8.097 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.879 -9.999 -7.475 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.695 -13.246 -7.738 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.035 -12.190 -7.280 1.00 0.00 H new ATOM 1008 N ASP A 60 4.548 -9.578 -7.358 1.00 0.00 N ATOM 1009 CA ASP A 60 3.600 -8.681 -8.019 1.00 0.00 C ATOM 1010 C ASP A 60 2.703 -7.919 -7.032 1.00 0.00 C ATOM 1011 O ASP A 60 2.461 -6.735 -7.202 1.00 0.00 O ATOM 1012 CB ASP A 60 2.730 -9.489 -8.991 1.00 0.00 C ATOM 1013 CG ASP A 60 2.156 -8.641 -10.118 1.00 0.00 C ATOM 1014 OD1 ASP A 60 1.192 -9.108 -10.766 1.00 0.00 O ATOM 1015 OD2 ASP A 60 2.674 -7.533 -10.377 1.00 0.00 O ATOM 0 H ASP A 60 4.320 -10.568 -7.453 1.00 0.00 H new ATOM 0 HA ASP A 60 4.184 -7.933 -8.555 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.325 -10.297 -9.418 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.912 -9.953 -8.439 1.00 0.00 H new ATOM 1020 N GLU A 61 2.218 -8.584 -5.993 1.00 0.00 N ATOM 1021 CA GLU A 61 1.336 -7.938 -5.014 1.00 0.00 C ATOM 1022 C GLU A 61 2.127 -6.915 -4.200 1.00 0.00 C ATOM 1023 O GLU A 61 1.659 -5.801 -3.941 1.00 0.00 O ATOM 1024 CB GLU A 61 0.651 -8.981 -4.108 1.00 0.00 C ATOM 1025 CG GLU A 61 1.526 -9.543 -2.971 1.00 0.00 C ATOM 1026 CD GLU A 61 0.948 -10.759 -2.300 1.00 0.00 C ATOM 1027 OE1 GLU A 61 1.639 -11.366 -1.432 1.00 0.00 O ATOM 1028 OE2 GLU A 61 -0.193 -11.128 -2.639 1.00 0.00 O ATOM 0 H GLU A 61 2.415 -9.566 -5.801 1.00 0.00 H new ATOM 0 HA GLU A 61 0.543 -7.413 -5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.239 -8.529 -3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.314 -9.811 -4.729 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.508 -9.794 -3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.676 -8.765 -2.223 1.00 0.00 H new ATOM 1035 N ILE A 62 3.349 -7.247 -3.808 1.00 0.00 N ATOM 1036 CA ILE A 62 4.136 -6.260 -3.109 1.00 0.00 C ATOM 1037 C ILE A 62 4.618 -5.186 -4.080 1.00 0.00 C ATOM 1038 O ILE A 62 4.979 -4.102 -3.661 1.00 0.00 O ATOM 1039 CB ILE A 62 5.209 -6.863 -2.204 1.00 0.00 C ATOM 1040 CG1 ILE A 62 6.464 -7.302 -2.947 1.00 0.00 C ATOM 1041 CG2 ILE A 62 4.599 -8.034 -1.376 1.00 0.00 C ATOM 1042 CD1 ILE A 62 7.515 -7.732 -1.946 1.00 0.00 C ATOM 0 H ILE A 62 3.796 -8.152 -3.956 1.00 0.00 H new ATOM 0 HA ILE A 62 3.493 -5.750 -2.391 1.00 0.00 H new ATOM 0 HB ILE A 62 5.540 -6.072 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.231 -8.125 -3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.842 -6.484 -3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.367 -8.462 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.779 -7.658 -0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.224 -8.802 -2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.414 -8.047 -2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.755 -6.896 -1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.134 -8.563 -1.352 1.00 0.00 H new ATOM 1054 N ASN A 63 4.591 -5.456 -5.383 1.00 0.00 N ATOM 1055 CA ASN A 63 4.869 -4.401 -6.365 1.00 0.00 C ATOM 1056 C ASN A 63 3.643 -3.497 -6.483 1.00 0.00 C ATOM 1057 O ASN A 63 3.781 -2.309 -6.740 1.00 0.00 O ATOM 1058 CB ASN A 63 5.221 -4.956 -7.742 1.00 0.00 C ATOM 1059 CG ASN A 63 6.674 -4.792 -8.066 1.00 0.00 C ATOM 1060 OD1 ASN A 63 7.125 -3.710 -8.438 1.00 0.00 O ATOM 1061 ND2 ASN A 63 7.423 -5.844 -7.921 1.00 0.00 N ATOM 0 H ASN A 63 4.385 -6.372 -5.781 1.00 0.00 H new ATOM 0 HA ASN A 63 5.735 -3.842 -6.011 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.959 -6.013 -7.783 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.623 -4.450 -8.499 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.422 -5.790 -8.118 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.012 -6.724 -7.610 1.00 0.00 H new ATOM 1068 N LEU A 64 2.455 -4.050 -6.278 1.00 0.00 N ATOM 1069 CA LEU A 64 1.221 -3.260 -6.236 1.00 0.00 C ATOM 1070 C LEU A 64 1.282 -2.386 -4.986 1.00 0.00 C ATOM 1071 O LEU A 64 0.976 -1.194 -5.045 1.00 0.00 O ATOM 1072 CB LEU A 64 -0.011 -4.176 -6.186 1.00 0.00 C ATOM 1073 CG LEU A 64 -1.372 -3.507 -5.945 1.00 0.00 C ATOM 1074 CD1 LEU A 64 -1.845 -2.715 -7.166 1.00 0.00 C ATOM 1075 CD2 LEU A 64 -2.378 -4.590 -5.584 1.00 0.00 C ATOM 0 H LEU A 64 2.314 -5.050 -6.137 1.00 0.00 H new ATOM 0 HA LEU A 64 1.134 -2.647 -7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.065 -4.722 -7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.147 -4.913 -5.399 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.277 -2.791 -5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.811 -2.259 -6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.119 -1.936 -7.398 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.942 -3.386 -8.020 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.353 -4.136 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.453 -5.305 -6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.050 -5.105 -4.681 1.00 0.00 H new ATOM 1087 N ALA A 65 1.705 -2.961 -3.868 1.00 0.00 N ATOM 1088 CA ALA A 65 1.887 -2.177 -2.640 1.00 0.00 C ATOM 1089 C ALA A 65 3.004 -1.122 -2.830 1.00 0.00 C ATOM 1090 O ALA A 65 2.916 0.000 -2.359 1.00 0.00 O ATOM 1091 CB ALA A 65 2.207 -3.103 -1.483 1.00 0.00 C ATOM 0 H ALA A 65 1.927 -3.952 -3.779 1.00 0.00 H new ATOM 0 HA ALA A 65 0.961 -1.647 -2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.341 -2.517 -0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.387 -3.807 -1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.123 -3.652 -1.699 1.00 0.00 H new ATOM 1097 N LYS A 66 4.054 -1.479 -3.553 1.00 0.00 N ATOM 1098 CA LYS A 66 5.127 -0.531 -3.883 1.00 0.00 C ATOM 1099 C LYS A 66 4.577 0.577 -4.793 1.00 0.00 C ATOM 1100 O LYS A 66 5.029 1.717 -4.745 1.00 0.00 O ATOM 1101 CB LYS A 66 6.275 -1.287 -4.560 1.00 0.00 C ATOM 1102 CG LYS A 66 7.492 -0.444 -4.953 1.00 0.00 C ATOM 1103 CD LYS A 66 7.956 -0.802 -6.363 1.00 0.00 C ATOM 1104 CE LYS A 66 6.985 -0.258 -7.417 1.00 0.00 C ATOM 1105 NZ LYS A 66 7.259 -0.808 -8.778 1.00 0.00 N ATOM 0 H LYS A 66 4.194 -2.418 -3.927 1.00 0.00 H new ATOM 0 HA LYS A 66 5.507 -0.063 -2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.608 -2.079 -3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.887 -1.770 -5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.239 0.615 -4.905 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.302 -0.611 -4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.952 -0.394 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.034 -1.885 -6.460 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.963 -0.503 -7.127 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.056 0.829 -7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.491 -0.535 -9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.160 -0.428 -9.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.317 -1.845 -8.728 1.00 0.00 H new ATOM 1119 N GLN A 67 3.590 0.254 -5.615 1.00 0.00 N ATOM 1120 CA GLN A 67 2.949 1.260 -6.456 1.00 0.00 C ATOM 1121 C GLN A 67 2.183 2.196 -5.519 1.00 0.00 C ATOM 1122 O GLN A 67 2.323 3.409 -5.612 1.00 0.00 O ATOM 1123 CB GLN A 67 2.004 0.611 -7.476 1.00 0.00 C ATOM 1124 CG GLN A 67 2.401 0.824 -8.933 1.00 0.00 C ATOM 1125 CD GLN A 67 3.453 -0.161 -9.406 1.00 0.00 C ATOM 1126 OE1 GLN A 67 4.629 0.165 -9.503 1.00 0.00 O ATOM 1127 NE2 GLN A 67 3.036 -1.363 -9.711 1.00 0.00 N ATOM 0 H GLN A 67 3.216 -0.689 -5.719 1.00 0.00 H new ATOM 0 HA GLN A 67 3.693 1.810 -7.032 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.957 -0.460 -7.278 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.000 1.007 -7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.516 0.734 -9.563 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.778 1.839 -9.057 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.048 -1.599 -9.618 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.699 -2.064 -10.042 1.00 0.00 H new ATOM 1136 N GLU A 68 1.398 1.638 -4.601 1.00 0.00 N ATOM 1137 CA GLU A 68 0.761 2.432 -3.542 1.00 0.00 C ATOM 1138 C GLU A 68 1.805 3.295 -2.804 1.00 0.00 C ATOM 1139 O GLU A 68 1.582 4.473 -2.570 1.00 0.00 O ATOM 1140 CB GLU A 68 0.076 1.492 -2.545 1.00 0.00 C ATOM 1141 CG GLU A 68 -0.880 2.171 -1.611 1.00 0.00 C ATOM 1142 CD GLU A 68 -1.232 1.300 -0.412 1.00 0.00 C ATOM 1143 OE1 GLU A 68 -1.066 0.058 -0.485 1.00 0.00 O ATOM 1144 OE2 GLU A 68 -1.665 1.867 0.611 1.00 0.00 O ATOM 0 H GLU A 68 1.185 0.641 -4.565 1.00 0.00 H new ATOM 0 HA GLU A 68 0.023 3.093 -3.996 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.461 0.723 -3.100 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.841 0.985 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.442 3.106 -1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.791 2.428 -2.151 1.00 0.00 H new ATOM 1151 N ALA A 69 2.949 2.718 -2.457 1.00 0.00 N ATOM 1152 CA ALA A 69 4.013 3.468 -1.779 1.00 0.00 C ATOM 1153 C ALA A 69 4.527 4.668 -2.605 1.00 0.00 C ATOM 1154 O ALA A 69 4.780 5.739 -2.053 1.00 0.00 O ATOM 1155 CB ALA A 69 5.166 2.525 -1.429 1.00 0.00 C ATOM 0 H ALA A 69 3.169 1.737 -2.631 1.00 0.00 H new ATOM 0 HA ALA A 69 3.584 3.884 -0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.954 3.085 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.804 1.736 -0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.563 2.081 -2.342 1.00 0.00 H new ATOM 1161 N GLN A 70 4.673 4.506 -3.916 1.00 0.00 N ATOM 1162 CA GLN A 70 5.095 5.621 -4.783 1.00 0.00 C ATOM 1163 C GLN A 70 4.041 6.720 -4.696 1.00 0.00 C ATOM 1164 O GLN A 70 4.365 7.908 -4.583 1.00 0.00 O ATOM 1165 CB GLN A 70 5.271 5.144 -6.241 1.00 0.00 C ATOM 1166 CG GLN A 70 4.930 6.188 -7.351 1.00 0.00 C ATOM 1167 CD GLN A 70 5.779 7.454 -7.293 1.00 0.00 C ATOM 1168 OE1 GLN A 70 6.983 7.397 -7.071 1.00 0.00 O ATOM 1169 NE2 GLN A 70 5.157 8.589 -7.504 1.00 0.00 N ATOM 0 H GLN A 70 4.509 3.626 -4.406 1.00 0.00 H new ATOM 0 HA GLN A 70 6.059 6.006 -4.449 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.305 4.826 -6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.644 4.265 -6.392 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.059 5.721 -8.327 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.879 6.463 -7.266 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.153 8.594 -7.685 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.677 9.466 -7.487 1.00 0.00 H new ATOM 1178 N ARG A 71 2.780 6.318 -4.726 1.00 0.00 N ATOM 1179 CA ARG A 71 1.683 7.274 -4.633 1.00 0.00 C ATOM 1180 C ARG A 71 1.797 8.030 -3.314 1.00 0.00 C ATOM 1181 O ARG A 71 1.591 9.226 -3.276 1.00 0.00 O ATOM 1182 CB ARG A 71 0.327 6.562 -4.710 1.00 0.00 C ATOM 1183 CG ARG A 71 -0.369 6.599 -6.069 1.00 0.00 C ATOM 1184 CD ARG A 71 0.256 5.699 -7.117 1.00 0.00 C ATOM 1185 NE ARG A 71 -0.100 4.294 -6.858 1.00 0.00 N ATOM 1186 CZ ARG A 71 -0.889 3.539 -7.612 1.00 0.00 C ATOM 1187 NH1 ARG A 71 -1.418 3.954 -8.730 1.00 0.00 N ATOM 1188 NH2 ARG A 71 -1.154 2.326 -7.226 1.00 0.00 N ATOM 0 H ARG A 71 2.490 5.344 -4.813 1.00 0.00 H new ATOM 0 HA ARG A 71 1.747 7.969 -5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.469 5.520 -4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.338 7.008 -3.970 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.412 6.313 -5.937 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.364 7.624 -6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.087 5.992 -8.109 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.340 5.815 -7.107 1.00 0.00 H new ATOM 0 HE ARG A 71 0.296 3.862 -6.023 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.231 4.900 -9.062 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.018 3.332 -9.272 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.757 1.969 -6.357 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.758 1.731 -7.793 1.00 0.00 H new ATOM 1202 N LEU A 72 2.143 7.342 -2.234 1.00 0.00 N ATOM 1203 CA LEU A 72 2.245 7.968 -0.921 1.00 0.00 C ATOM 1204 C LEU A 72 3.497 8.829 -0.814 1.00 0.00 C ATOM 1205 O LEU A 72 3.537 9.777 -0.041 1.00 0.00 O ATOM 1206 CB LEU A 72 2.157 6.898 0.159 1.00 0.00 C ATOM 1207 CG LEU A 72 0.704 6.389 0.242 1.00 0.00 C ATOM 1208 CD1 LEU A 72 0.640 4.945 0.644 1.00 0.00 C ATOM 1209 CD2 LEU A 72 -0.121 7.240 1.209 1.00 0.00 C ATOM 0 H LEU A 72 2.359 6.345 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 72 1.408 8.651 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.832 6.074 -0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.469 7.306 1.120 1.00 0.00 H new ATOM 0 HG LEU A 72 0.278 6.479 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.401 4.626 0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.173 4.339 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.102 4.819 1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.142 6.859 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.322 7.194 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.133 8.274 0.865 1.00 0.00 H new ATOM 1221 N LYS A 73 4.507 8.536 -1.618 1.00 0.00 N ATOM 1222 CA LYS A 73 5.684 9.405 -1.710 1.00 0.00 C ATOM 1223 C LYS A 73 5.274 10.681 -2.464 1.00 0.00 C ATOM 1224 O LYS A 73 5.617 11.807 -2.067 1.00 0.00 O ATOM 1225 CB LYS A 73 6.833 8.662 -2.419 1.00 0.00 C ATOM 1226 CG LYS A 73 7.905 9.558 -3.045 1.00 0.00 C ATOM 1227 CD LYS A 73 7.807 9.540 -4.576 1.00 0.00 C ATOM 1228 CE LYS A 73 8.505 10.741 -5.196 1.00 0.00 C ATOM 1229 NZ LYS A 73 7.635 11.955 -5.131 1.00 0.00 N ATOM 0 H LYS A 73 4.542 7.710 -2.215 1.00 0.00 H new ATOM 0 HA LYS A 73 6.046 9.679 -0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.313 7.998 -1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.408 8.032 -3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.789 10.579 -2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.894 9.219 -2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.253 8.622 -4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.759 9.534 -4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.442 10.932 -4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.757 10.524 -6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.230 12.807 -5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.025 11.991 -5.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.043 11.913 -4.277 1.00 0.00 H new ATOM 1243 N GLU A 74 4.530 10.524 -3.545 1.00 0.00 N ATOM 1244 CA GLU A 74 4.091 11.691 -4.304 1.00 0.00 C ATOM 1245 C GLU A 74 3.190 12.552 -3.424 1.00 0.00 C ATOM 1246 O GLU A 74 3.305 13.774 -3.396 1.00 0.00 O ATOM 1247 CB GLU A 74 3.366 11.255 -5.573 1.00 0.00 C ATOM 1248 CG GLU A 74 3.318 12.332 -6.650 1.00 0.00 C ATOM 1249 CD GLU A 74 4.682 12.596 -7.302 1.00 0.00 C ATOM 1250 OE1 GLU A 74 4.808 13.628 -8.005 1.00 0.00 O ATOM 1251 OE2 GLU A 74 5.630 11.791 -7.112 1.00 0.00 O ATOM 0 H GLU A 74 4.221 9.625 -3.914 1.00 0.00 H new ATOM 0 HA GLU A 74 4.957 12.281 -4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.859 10.371 -5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.347 10.963 -5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.606 12.035 -7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.946 13.258 -6.212 1.00 0.00 H new ATOM 1258 N LEU A 75 2.313 11.897 -2.682 1.00 0.00 N ATOM 1259 CA LEU A 75 1.421 12.576 -1.755 1.00 0.00 C ATOM 1260 C LEU A 75 2.172 13.266 -0.620 1.00 0.00 C ATOM 1261 O LEU A 75 1.853 14.398 -0.273 1.00 0.00 O ATOM 1262 CB LEU A 75 0.449 11.570 -1.151 1.00 0.00 C ATOM 1263 CG LEU A 75 -0.712 11.109 -2.034 1.00 0.00 C ATOM 1264 CD1 LEU A 75 -1.234 9.760 -1.574 1.00 0.00 C ATOM 1265 CD2 LEU A 75 -1.822 12.130 -1.968 1.00 0.00 C ATOM 0 H LEU A 75 2.199 10.884 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 75 0.892 13.340 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.016 10.689 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.032 12.005 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.357 11.010 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.059 9.451 -2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.434 9.022 -1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.584 9.837 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.652 11.806 -2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.164 12.230 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.453 13.092 -2.323 1.00 0.00 H new ATOM 1277 N ARG A 76 3.174 12.617 -0.038 1.00 0.00 N ATOM 1278 CA ARG A 76 3.921 13.242 1.064 1.00 0.00 C ATOM 1279 C ARG A 76 4.760 14.407 0.560 1.00 0.00 C ATOM 1280 O ARG A 76 5.185 15.246 1.346 1.00 0.00 O ATOM 1281 CB ARG A 76 4.783 12.223 1.834 1.00 0.00 C ATOM 1282 CG ARG A 76 6.079 11.829 1.148 1.00 0.00 C ATOM 1283 CD ARG A 76 7.296 12.465 1.786 1.00 0.00 C ATOM 1284 NE ARG A 76 8.451 12.400 0.877 1.00 0.00 N ATOM 1285 CZ ARG A 76 9.684 12.784 1.170 1.00 0.00 C ATOM 1286 NH1 ARG A 76 10.010 13.250 2.352 1.00 0.00 N ATOM 1287 NH2 ARG A 76 10.602 12.705 0.251 1.00 0.00 N ATOM 0 H ARG A 76 3.488 11.682 -0.297 1.00 0.00 H new ATOM 0 HA ARG A 76 3.188 13.632 1.770 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.020 12.637 2.814 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.191 11.323 2.003 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.185 10.744 1.176 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.032 12.118 0.098 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.081 13.504 2.036 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.532 11.955 2.720 1.00 0.00 H new ATOM 0 HE ARG A 76 8.288 12.027 -0.058 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.303 13.326 3.083 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.971 13.536 2.540 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.366 12.352 -0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.557 12.996 0.458 1.00 0.00 H new ATOM 1301 N GLU A 77 4.981 14.476 -0.748 1.00 0.00 N ATOM 1302 CA GLU A 77 5.691 15.619 -1.336 1.00 0.00 C ATOM 1303 C GLU A 77 4.682 16.635 -1.899 1.00 0.00 C ATOM 1304 O GLU A 77 5.054 17.616 -2.547 1.00 0.00 O ATOM 1305 CB GLU A 77 6.679 15.133 -2.401 1.00 0.00 C ATOM 1306 CG GLU A 77 7.855 14.418 -1.752 1.00 0.00 C ATOM 1307 CD GLU A 77 8.767 13.704 -2.727 1.00 0.00 C ATOM 1308 OE1 GLU A 77 9.333 12.656 -2.323 1.00 0.00 O ATOM 1309 OE2 GLU A 77 8.926 14.150 -3.880 1.00 0.00 O ATOM 0 H GLU A 77 4.685 13.767 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 77 6.269 16.128 -0.564 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.174 14.460 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.039 15.980 -2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.441 15.145 -1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.472 13.693 -1.033 1.00 0.00 H new ATOM 1316 N GLY A 78 3.403 16.400 -1.630 1.00 0.00 N ATOM 1317 CA GLY A 78 2.351 17.284 -2.106 1.00 0.00 C ATOM 1318 C GLY A 78 2.306 18.637 -1.413 1.00 0.00 C ATOM 1319 O GLY A 78 2.720 18.801 -0.262 1.00 0.00 O ATOM 0 H GLY A 78 3.072 15.604 -1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.483 17.442 -3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.389 16.789 -1.973 1.00 0.00 H new ATOM 1323 N THR A 79 1.804 19.625 -2.136 1.00 0.00 N ATOM 1324 CA THR A 79 1.724 21.000 -1.652 1.00 0.00 C ATOM 1325 C THR A 79 0.457 21.258 -0.831 1.00 0.00 C ATOM 1326 O THR A 79 -0.472 20.464 -0.839 1.00 0.00 O ATOM 1327 CB THR A 79 1.715 21.962 -2.862 1.00 0.00 C ATOM 1328 OG1 THR A 79 0.775 21.490 -3.832 1.00 0.00 O ATOM 1329 CG2 THR A 79 3.081 22.004 -3.529 1.00 0.00 C ATOM 0 H THR A 79 1.438 19.499 -3.080 1.00 0.00 H new ATOM 0 HA THR A 79 2.588 21.168 -1.010 1.00 0.00 H new ATOM 0 HB THR A 79 1.449 22.956 -2.503 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.074 22.162 -3.962 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.051 22.687 -4.378 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.826 22.349 -2.812 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.347 21.006 -3.876 1.00 0.00 H new ATOM 1337 N GLU A 80 0.431 22.393 -0.136 1.00 0.00 N ATOM 1338 CA GLU A 80 -0.736 22.822 0.655 1.00 0.00 C ATOM 1339 C GLU A 80 -1.970 22.993 -0.235 1.00 0.00 C ATOM 1340 O GLU A 80 -3.102 22.804 0.197 1.00 0.00 O ATOM 1341 CB GLU A 80 -0.404 24.150 1.353 1.00 0.00 C ATOM 1342 CG GLU A 80 -1.578 24.837 2.053 1.00 0.00 C ATOM 1343 CD GLU A 80 -1.124 25.863 3.084 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -1.417 27.066 2.908 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -0.479 25.478 4.091 1.00 0.00 O ATOM 0 H GLU A 80 1.214 23.046 -0.101 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.962 22.056 1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.379 23.968 2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.007 24.836 0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.204 25.328 1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.196 24.084 2.542 1.00 0.00 H new ATOM 1352 N ASN A 81 -1.742 23.344 -1.490 1.00 0.00 N ATOM 1353 CA ASN A 81 -2.825 23.484 -2.447 1.00 0.00 C ATOM 1354 C ASN A 81 -2.384 22.924 -3.784 1.00 0.00 C ATOM 1355 O ASN A 81 -1.321 23.275 -4.294 1.00 0.00 O ATOM 1356 CB ASN A 81 -3.231 24.944 -2.598 1.00 0.00 C ATOM 1357 CG ASN A 81 -4.445 25.100 -3.457 1.00 0.00 C ATOM 1358 OD1 ASN A 81 -4.367 25.022 -4.671 1.00 0.00 O ATOM 1359 ND2 ASN A 81 -5.575 25.310 -2.842 1.00 0.00 N ATOM 0 H ASN A 81 -0.815 23.537 -1.869 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.691 22.930 -2.084 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.426 25.370 -1.614 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.405 25.507 -3.032 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.436 25.415 -3.379 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.598 25.369 -1.824 1.00 0.00 H new ATOM 1366 N GLU A 82 -3.201 22.046 -4.338 1.00 0.00 N ATOM 1367 CA GLU A 82 -2.896 21.354 -5.586 1.00 0.00 C ATOM 1368 C GLU A 82 -3.296 22.121 -6.875 1.00 0.00 C ATOM 1369 O GLU A 82 -3.698 21.535 -7.881 1.00 0.00 O ATOM 1370 CB GLU A 82 -3.538 19.965 -5.531 1.00 0.00 C ATOM 1371 CG GLU A 82 -5.053 19.950 -5.454 1.00 0.00 C ATOM 1372 CD GLU A 82 -5.615 18.540 -5.418 1.00 0.00 C ATOM 1373 OE1 GLU A 82 -4.833 17.571 -5.534 1.00 0.00 O ATOM 1374 OE2 GLU A 82 -6.849 18.405 -5.293 1.00 0.00 O ATOM 0 H GLU A 82 -4.102 21.789 -3.935 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.811 21.279 -5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.231 19.406 -6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.142 19.435 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.374 20.490 -4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.463 20.480 -6.313 1.00 0.00 H new ATOM 1479 N TYR A 88 -3.212 16.253 -9.581 1.00 0.00 N ATOM 1480 CA TYR A 88 -2.854 14.850 -9.589 1.00 0.00 C ATOM 1481 C TYR A 88 -2.367 14.395 -8.202 1.00 0.00 C ATOM 1482 O TYR A 88 -2.254 13.217 -7.972 1.00 0.00 O ATOM 1483 CB TYR A 88 -1.788 14.563 -10.650 1.00 0.00 C ATOM 1484 CG TYR A 88 -0.386 14.895 -10.202 1.00 0.00 C ATOM 1485 CD1 TYR A 88 0.499 13.876 -9.799 1.00 0.00 C ATOM 1486 CD2 TYR A 88 0.065 16.226 -10.167 1.00 0.00 C ATOM 1487 CE1 TYR A 88 1.809 14.185 -9.368 1.00 0.00 C ATOM 1488 CE2 TYR A 88 1.369 16.535 -9.722 1.00 0.00 C ATOM 1489 CZ TYR A 88 2.232 15.511 -9.326 1.00 0.00 C ATOM 1490 OH TYR A 88 3.501 15.823 -8.907 1.00 0.00 O ATOM 0 HA TYR A 88 -3.750 14.282 -9.839 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.833 13.509 -10.923 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.018 15.135 -11.549 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.173 12.847 -9.820 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.593 17.021 -10.484 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.481 13.393 -9.072 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.699 17.563 -9.688 1.00 0.00 H new ATOM 0 HH TYR A 88 3.883 15.060 -8.424 1.00 0.00 H new ATOM 1500 N ALA A 89 -2.091 15.313 -7.274 1.00 0.00 N ATOM 1501 CA ALA A 89 -1.620 14.906 -5.959 1.00 0.00 C ATOM 1502 C ALA A 89 -2.726 14.175 -5.192 1.00 0.00 C ATOM 1503 O ALA A 89 -2.541 13.042 -4.803 1.00 0.00 O ATOM 1504 CB ALA A 89 -1.140 16.132 -5.165 1.00 0.00 C ATOM 0 H ALA A 89 -2.184 16.320 -7.408 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.782 14.221 -6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.790 15.815 -4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.325 16.617 -5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.965 16.835 -5.047 1.00 0.00 H new ATOM 1510 N GLU A 90 -3.890 14.781 -4.997 1.00 0.00 N ATOM 1511 CA GLU A 90 -4.953 14.071 -4.273 1.00 0.00 C ATOM 1512 C GLU A 90 -5.500 12.964 -5.165 1.00 0.00 C ATOM 1513 O GLU A 90 -6.120 12.021 -4.694 1.00 0.00 O ATOM 1514 CB GLU A 90 -6.069 15.011 -3.815 1.00 0.00 C ATOM 1515 CG GLU A 90 -5.641 15.970 -2.688 1.00 0.00 C ATOM 1516 CD GLU A 90 -5.149 15.240 -1.432 1.00 0.00 C ATOM 1517 OE1 GLU A 90 -5.868 14.361 -0.912 1.00 0.00 O ATOM 1518 OE2 GLU A 90 -4.033 15.558 -0.955 1.00 0.00 O ATOM 0 H GLU A 90 -4.124 15.723 -5.312 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.528 13.639 -3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.413 15.596 -4.668 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.916 14.417 -3.473 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.849 16.623 -3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.483 16.609 -2.423 1.00 0.00 H new ATOM 1525 N GLU A 91 -5.241 13.057 -6.458 1.00 0.00 N ATOM 1526 CA GLU A 91 -5.621 11.982 -7.367 1.00 0.00 C ATOM 1527 C GLU A 91 -4.739 10.764 -7.057 1.00 0.00 C ATOM 1528 O GLU A 91 -5.179 9.634 -7.200 1.00 0.00 O ATOM 1529 CB GLU A 91 -5.476 12.423 -8.821 1.00 0.00 C ATOM 1530 CG GLU A 91 -6.316 11.619 -9.811 1.00 0.00 C ATOM 1531 CD GLU A 91 -5.512 10.552 -10.541 1.00 0.00 C ATOM 1532 OE1 GLU A 91 -5.943 9.384 -10.560 1.00 0.00 O ATOM 1533 OE2 GLU A 91 -4.449 10.887 -11.108 1.00 0.00 O ATOM 0 H GLU A 91 -4.777 13.851 -6.900 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.669 11.720 -7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.753 13.474 -8.898 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.427 12.348 -9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.141 11.145 -9.279 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.756 12.298 -10.541 1.00 0.00 H new ATOM 1540 N GLU A 92 -3.509 10.979 -6.596 1.00 0.00 N ATOM 1541 CA GLU A 92 -2.651 9.852 -6.218 1.00 0.00 C ATOM 1542 C GLU A 92 -3.281 9.163 -4.995 1.00 0.00 C ATOM 1543 O GLU A 92 -3.095 7.978 -4.794 1.00 0.00 O ATOM 1544 CB GLU A 92 -1.204 10.291 -5.912 1.00 0.00 C ATOM 1545 CG GLU A 92 -0.362 10.691 -7.149 1.00 0.00 C ATOM 1546 CD GLU A 92 0.352 9.512 -7.816 1.00 0.00 C ATOM 1547 OE1 GLU A 92 1.551 9.276 -7.521 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -0.286 8.811 -8.627 1.00 0.00 O ATOM 0 H GLU A 92 -3.088 11.900 -6.476 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.586 9.160 -7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.235 11.136 -5.225 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.696 9.477 -5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.012 11.171 -7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.380 11.431 -6.848 1.00 0.00 H new ATOM 1555 N LEU A 93 -4.050 9.890 -4.187 1.00 0.00 N ATOM 1556 CA LEU A 93 -4.735 9.281 -3.032 1.00 0.00 C ATOM 1557 C LEU A 93 -5.912 8.439 -3.519 1.00 0.00 C ATOM 1558 O LEU A 93 -6.217 7.381 -2.960 1.00 0.00 O ATOM 1559 CB LEU A 93 -5.238 10.351 -2.050 1.00 0.00 C ATOM 1560 CG LEU A 93 -5.762 9.843 -0.696 1.00 0.00 C ATOM 1561 CD1 LEU A 93 -4.666 9.154 0.131 1.00 0.00 C ATOM 1562 CD2 LEU A 93 -6.330 11.022 0.091 1.00 0.00 C ATOM 0 H LEU A 93 -4.218 10.890 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.018 8.650 -2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.424 11.051 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.035 10.913 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.536 9.101 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.085 8.813 1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.276 8.300 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.859 9.860 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.704 10.671 1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.546 11.762 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.146 11.476 -0.472 1.00 0.00 H new ATOM 1574 N GLU A 94 -6.565 8.892 -4.576 1.00 0.00 N ATOM 1575 CA GLU A 94 -7.654 8.120 -5.176 1.00 0.00 C ATOM 1576 C GLU A 94 -7.029 6.824 -5.727 1.00 0.00 C ATOM 1577 O GLU A 94 -7.601 5.731 -5.616 1.00 0.00 O ATOM 1578 CB GLU A 94 -8.359 8.935 -6.276 1.00 0.00 C ATOM 1579 CG GLU A 94 -9.014 10.225 -5.742 1.00 0.00 C ATOM 1580 CD GLU A 94 -9.666 11.077 -6.834 1.00 0.00 C ATOM 1581 OE1 GLU A 94 -9.197 12.223 -7.073 1.00 0.00 O ATOM 1582 OE2 GLU A 94 -10.654 10.615 -7.442 1.00 0.00 O ATOM 0 H GLU A 94 -6.367 9.780 -5.037 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.422 7.881 -4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.635 9.194 -7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.121 8.315 -6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.768 9.960 -5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.259 10.821 -5.230 1.00 0.00 H new ATOM 1589 N GLN A 95 -5.831 6.946 -6.282 1.00 0.00 N ATOM 1590 CA GLN A 95 -5.090 5.789 -6.774 1.00 0.00 C ATOM 1591 C GLN A 95 -4.589 4.883 -5.633 1.00 0.00 C ATOM 1592 O GLN A 95 -4.508 3.676 -5.819 1.00 0.00 O ATOM 1593 CB GLN A 95 -3.912 6.233 -7.637 1.00 0.00 C ATOM 1594 CG GLN A 95 -4.309 6.845 -8.979 1.00 0.00 C ATOM 1595 CD GLN A 95 -3.099 7.177 -9.833 1.00 0.00 C ATOM 1596 OE1 GLN A 95 -2.206 6.348 -10.002 1.00 0.00 O ATOM 1597 NE2 GLN A 95 -3.064 8.359 -10.376 1.00 0.00 N ATOM 0 H GLN A 95 -5.349 7.837 -6.404 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.784 5.205 -7.378 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.323 6.961 -7.079 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -3.267 5.374 -7.820 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.953 6.150 -9.518 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.890 7.751 -8.807 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.825 9.019 -10.212 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.276 8.626 -10.966 1.00 0.00 H new ATOM 1606 N VAL A 96 -4.274 5.434 -4.463 1.00 0.00 N ATOM 1607 CA VAL A 96 -3.916 4.613 -3.283 1.00 0.00 C ATOM 1608 C VAL A 96 -5.125 3.766 -2.941 1.00 0.00 C ATOM 1609 O VAL A 96 -5.022 2.554 -2.697 1.00 0.00 O ATOM 1610 CB VAL A 96 -3.561 5.490 -2.019 1.00 0.00 C ATOM 1611 CG1 VAL A 96 -3.623 4.676 -0.710 1.00 0.00 C ATOM 1612 CG2 VAL A 96 -2.193 6.092 -2.161 1.00 0.00 C ATOM 0 H VAL A 96 -4.256 6.440 -4.296 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.037 4.019 -3.531 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.310 6.280 -1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.371 5.321 0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.629 4.280 -0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.912 3.851 -0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.967 6.693 -1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.454 5.297 -2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.164 6.724 -3.048 1.00 0.00 H new ATOM 1622 N ARG A 97 -6.289 4.401 -2.934 1.00 0.00 N ATOM 1623 CA ARG A 97 -7.511 3.687 -2.609 1.00 0.00 C ATOM 1624 C ARG A 97 -7.721 2.558 -3.596 1.00 0.00 C ATOM 1625 O ARG A 97 -8.086 1.473 -3.197 1.00 0.00 O ATOM 1626 CB ARG A 97 -8.718 4.622 -2.595 1.00 0.00 C ATOM 1627 CG ARG A 97 -9.949 3.958 -2.011 1.00 0.00 C ATOM 1628 CD ARG A 97 -11.140 4.883 -2.018 1.00 0.00 C ATOM 1629 NE ARG A 97 -12.291 4.235 -1.370 1.00 0.00 N ATOM 1630 CZ ARG A 97 -13.502 4.764 -1.248 1.00 0.00 C ATOM 1631 NH1 ARG A 97 -13.797 5.951 -1.722 1.00 0.00 N ATOM 1632 NH2 ARG A 97 -14.432 4.083 -0.639 1.00 0.00 N ATOM 0 H ARG A 97 -6.411 5.391 -3.146 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.410 3.272 -1.606 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -8.478 5.513 -2.015 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.932 4.951 -3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -10.183 3.060 -2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -9.741 3.641 -0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.894 5.808 -1.497 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.395 5.152 -3.043 1.00 0.00 H new ATOM 0 HE ARG A 97 -12.146 3.303 -0.983 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -13.084 6.500 -2.203 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -14.739 6.325 -1.609 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.224 3.157 -0.264 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.368 4.476 -0.537 1.00 0.00 H new ATOM 1646 N GLU A 98 -7.483 2.791 -4.877 1.00 0.00 N ATOM 1647 CA GLU A 98 -7.645 1.716 -5.859 1.00 0.00 C ATOM 1648 C GLU A 98 -6.528 0.654 -5.740 1.00 0.00 C ATOM 1649 O GLU A 98 -6.761 -0.512 -6.026 1.00 0.00 O ATOM 1650 CB GLU A 98 -7.740 2.285 -7.280 1.00 0.00 C ATOM 1651 CG GLU A 98 -8.229 1.270 -8.338 1.00 0.00 C ATOM 1652 CD GLU A 98 -9.614 0.666 -8.024 1.00 0.00 C ATOM 1653 OE1 GLU A 98 -10.542 1.401 -7.613 1.00 0.00 O ATOM 1654 OE2 GLU A 98 -9.776 -0.566 -8.202 1.00 0.00 O ATOM 0 H GLU A 98 -7.185 3.688 -5.260 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.584 1.207 -5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.417 3.139 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.759 2.658 -7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.269 1.762 -9.310 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.500 0.463 -8.419 1.00 0.00 H new ATOM 1661 N ALA A 99 -5.337 1.044 -5.293 1.00 0.00 N ATOM 1662 CA ALA A 99 -4.241 0.092 -5.037 1.00 0.00 C ATOM 1663 C ALA A 99 -4.707 -0.859 -3.928 1.00 0.00 C ATOM 1664 O ALA A 99 -4.665 -2.094 -4.068 1.00 0.00 O ATOM 1665 CB ALA A 99 -2.977 0.833 -4.609 1.00 0.00 C ATOM 0 H ALA A 99 -5.098 2.016 -5.097 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.002 -0.466 -5.942 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.179 0.114 -4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.672 1.519 -5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.176 1.396 -3.697 1.00 0.00 H new ATOM 1671 N LEU A 100 -5.175 -0.270 -2.832 1.00 0.00 N ATOM 1672 CA LEU A 100 -5.667 -1.054 -1.701 1.00 0.00 C ATOM 1673 C LEU A 100 -6.859 -1.897 -2.126 1.00 0.00 C ATOM 1674 O LEU A 100 -6.962 -3.052 -1.771 1.00 0.00 O ATOM 1675 CB LEU A 100 -6.073 -0.131 -0.548 1.00 0.00 C ATOM 1676 CG LEU A 100 -4.909 0.536 0.201 1.00 0.00 C ATOM 1677 CD1 LEU A 100 -5.448 1.641 1.106 1.00 0.00 C ATOM 1678 CD2 LEU A 100 -4.133 -0.486 1.037 1.00 0.00 C ATOM 0 H LEU A 100 -5.225 0.740 -2.702 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.866 -1.711 -1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.725 0.649 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.661 -0.707 0.167 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.227 0.962 -0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.621 2.113 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.964 2.387 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.144 1.213 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.315 0.014 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.802 -0.941 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.729 -1.259 0.383 1.00 0.00 H new ATOM 1690 N ARG A 101 -7.755 -1.319 -2.907 1.00 0.00 N ATOM 1691 CA ARG A 101 -8.935 -2.035 -3.394 1.00 0.00 C ATOM 1692 C ARG A 101 -8.554 -3.199 -4.306 1.00 0.00 C ATOM 1693 O ARG A 101 -9.201 -4.242 -4.310 1.00 0.00 O ATOM 1694 CB ARG A 101 -9.827 -1.052 -4.138 1.00 0.00 C ATOM 1695 CG ARG A 101 -11.248 -1.488 -4.335 1.00 0.00 C ATOM 1696 CD ARG A 101 -11.849 -0.569 -5.360 1.00 0.00 C ATOM 1697 NE ARG A 101 -13.253 -0.860 -5.661 1.00 0.00 N ATOM 1698 CZ ARG A 101 -13.930 -0.317 -6.666 1.00 0.00 C ATOM 1699 NH1 ARG A 101 -13.379 0.530 -7.507 1.00 0.00 N ATOM 1700 NH2 ARG A 101 -15.184 -0.639 -6.834 1.00 0.00 N ATOM 0 H ARG A 101 -7.692 -0.351 -3.222 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.466 -2.457 -2.541 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.828 -0.107 -3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -9.387 -0.858 -5.116 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.291 -2.524 -4.673 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.801 -1.435 -3.397 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.768 0.459 -5.006 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.268 -0.636 -6.280 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.742 -1.523 -5.059 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -12.399 0.791 -7.399 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -13.932 0.926 -8.267 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.631 -1.299 -6.198 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.717 -0.230 -7.601 1.00 0.00 H new ATOM 1714 N LYS A 102 -7.493 -3.041 -5.081 1.00 0.00 N ATOM 1715 CA LYS A 102 -7.022 -4.130 -5.933 1.00 0.00 C ATOM 1716 C LYS A 102 -6.537 -5.246 -5.020 1.00 0.00 C ATOM 1717 O LYS A 102 -6.840 -6.412 -5.270 1.00 0.00 O ATOM 1718 CB LYS A 102 -5.911 -3.647 -6.876 1.00 0.00 C ATOM 1719 CG LYS A 102 -5.312 -4.731 -7.786 1.00 0.00 C ATOM 1720 CD LYS A 102 -6.307 -5.244 -8.824 1.00 0.00 C ATOM 1721 CE LYS A 102 -5.635 -6.215 -9.799 1.00 0.00 C ATOM 1722 NZ LYS A 102 -5.227 -7.501 -9.142 1.00 0.00 N ATOM 0 H LYS A 102 -6.945 -2.183 -5.141 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.828 -4.495 -6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.309 -2.848 -7.502 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.110 -3.214 -6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -4.436 -4.329 -8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -4.969 -5.565 -7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.136 -5.743 -8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.728 -4.403 -9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.319 -6.431 -10.620 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.756 -5.738 -10.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.793 -8.129 -9.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.540 -7.302 -8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.065 -7.964 -8.735 1.00 0.00 H new ATOM 1736 N ALA A 103 -5.818 -4.891 -3.962 1.00 0.00 N ATOM 1737 CA ALA A 103 -5.361 -5.887 -2.995 1.00 0.00 C ATOM 1738 C ALA A 103 -6.570 -6.561 -2.314 1.00 0.00 C ATOM 1739 O ALA A 103 -6.571 -7.770 -2.118 1.00 0.00 O ATOM 1740 CB ALA A 103 -4.438 -5.237 -1.951 1.00 0.00 C ATOM 0 H ALA A 103 -5.540 -3.932 -3.751 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.792 -6.653 -3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.106 -5.992 -1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.571 -4.804 -2.451 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.981 -4.453 -1.423 1.00 0.00 H new ATOM 1746 N GLU A 104 -7.596 -5.785 -1.977 1.00 0.00 N ATOM 1747 CA GLU A 104 -8.817 -6.330 -1.363 1.00 0.00 C ATOM 1748 C GLU A 104 -9.410 -7.419 -2.250 1.00 0.00 C ATOM 1749 O GLU A 104 -9.685 -8.511 -1.775 1.00 0.00 O ATOM 1750 CB GLU A 104 -9.890 -5.242 -1.164 1.00 0.00 C ATOM 1751 CG GLU A 104 -9.621 -4.238 -0.040 1.00 0.00 C ATOM 1752 CD GLU A 104 -10.617 -3.062 -0.050 1.00 0.00 C ATOM 1753 OE1 GLU A 104 -11.327 -2.866 -1.068 1.00 0.00 O ATOM 1754 OE2 GLU A 104 -10.680 -2.328 0.960 1.00 0.00 O ATOM 0 H GLU A 104 -7.612 -4.775 -2.116 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.532 -6.734 -0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.000 -4.692 -2.098 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.844 -5.731 -0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.677 -4.749 0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.606 -3.852 -0.137 1.00 0.00 H new ATOM 1761 N LYS A 105 -9.596 -7.128 -3.534 1.00 0.00 N ATOM 1762 CA LYS A 105 -10.195 -8.104 -4.467 1.00 0.00 C ATOM 1763 C LYS A 105 -9.383 -9.389 -4.514 1.00 0.00 C ATOM 1764 O LYS A 105 -9.929 -10.501 -4.500 1.00 0.00 O ATOM 1765 CB LYS A 105 -10.245 -7.534 -5.887 1.00 0.00 C ATOM 1766 CG LYS A 105 -11.097 -6.285 -6.053 1.00 0.00 C ATOM 1767 CD LYS A 105 -10.645 -5.518 -7.295 1.00 0.00 C ATOM 1768 CE LYS A 105 -11.036 -4.055 -7.209 1.00 0.00 C ATOM 1769 NZ LYS A 105 -10.392 -3.258 -8.305 1.00 0.00 N ATOM 0 H LYS A 105 -9.346 -6.235 -3.959 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.201 -8.313 -4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.228 -7.306 -6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -10.624 -8.305 -6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.148 -6.559 -6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.009 -5.652 -5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -9.564 -5.602 -7.404 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.091 -5.965 -8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.120 -3.961 -7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.740 -3.653 -6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.279 -2.271 -7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.459 -3.661 -8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.991 -3.288 -9.154 1.00 0.00 H new ATOM 1783 N GLU A 106 -8.071 -9.232 -4.582 1.00 0.00 N ATOM 1784 CA GLU A 106 -7.176 -10.378 -4.651 1.00 0.00 C ATOM 1785 C GLU A 106 -7.342 -11.189 -3.386 1.00 0.00 C ATOM 1786 O GLU A 106 -7.607 -12.383 -3.428 1.00 0.00 O ATOM 1787 CB GLU A 106 -5.721 -9.921 -4.754 1.00 0.00 C ATOM 1788 CG GLU A 106 -5.349 -9.312 -6.086 1.00 0.00 C ATOM 1789 CD GLU A 106 -3.958 -8.697 -6.062 1.00 0.00 C ATOM 1790 OE1 GLU A 106 -3.185 -8.981 -5.129 1.00 0.00 O ATOM 1791 OE2 GLU A 106 -3.639 -7.927 -6.998 1.00 0.00 O ATOM 0 H GLU A 106 -7.602 -8.326 -4.591 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.421 -10.971 -5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.526 -9.192 -3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.071 -10.775 -4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.394 -10.078 -6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.079 -8.547 -6.352 1.00 0.00 H new ATOM 1798 N LEU A 107 -7.195 -10.531 -2.251 1.00 0.00 N ATOM 1799 CA LEU A 107 -7.259 -11.215 -0.974 1.00 0.00 C ATOM 1800 C LEU A 107 -8.600 -11.880 -0.738 1.00 0.00 C ATOM 1801 O LEU A 107 -8.641 -12.956 -0.159 1.00 0.00 O ATOM 1802 CB LEU A 107 -6.924 -10.242 0.151 1.00 0.00 C ATOM 1803 CG LEU A 107 -5.434 -9.866 0.199 1.00 0.00 C ATOM 1804 CD1 LEU A 107 -5.188 -8.760 1.228 1.00 0.00 C ATOM 1805 CD2 LEU A 107 -4.574 -11.109 0.513 1.00 0.00 C ATOM 0 H LEU A 107 -7.031 -9.526 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.519 -12.015 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.518 -9.336 0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.212 -10.685 1.104 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.143 -9.487 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.127 -8.509 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.766 -7.876 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.496 -9.106 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.522 -10.825 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.867 -11.520 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.725 -11.861 -0.262 1.00 0.00 H new ATOM 1817 N GLU A 108 -9.690 -11.282 -1.196 1.00 0.00 N ATOM 1818 CA GLU A 108 -11.003 -11.919 -1.089 1.00 0.00 C ATOM 1819 C GLU A 108 -10.965 -13.233 -1.867 1.00 0.00 C ATOM 1820 O GLU A 108 -11.331 -14.298 -1.333 1.00 0.00 O ATOM 1821 CB GLU A 108 -12.104 -11.019 -1.665 1.00 0.00 C ATOM 1822 CG GLU A 108 -12.514 -9.867 -0.755 1.00 0.00 C ATOM 1823 CD GLU A 108 -13.539 -8.947 -1.417 1.00 0.00 C ATOM 1824 OE1 GLU A 108 -14.622 -8.748 -0.826 1.00 0.00 O ATOM 1825 OE2 GLU A 108 -13.269 -8.434 -2.529 1.00 0.00 O ATOM 0 H GLU A 108 -9.697 -10.365 -1.642 1.00 0.00 H new ATOM 0 HA GLU A 108 -11.228 -12.097 -0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.763 -10.611 -2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -12.982 -11.629 -1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.930 -10.267 0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.631 -9.289 -0.483 1.00 0.00 H new ATOM 1832 N SER A 109 -10.510 -13.163 -3.116 1.00 0.00 N ATOM 1833 CA SER A 109 -10.464 -14.344 -3.984 1.00 0.00 C ATOM 1834 C SER A 109 -9.578 -15.466 -3.432 1.00 0.00 C ATOM 1835 O SER A 109 -9.904 -16.647 -3.575 1.00 0.00 O ATOM 1836 CB SER A 109 -10.020 -13.959 -5.400 1.00 0.00 C ATOM 1837 OG SER A 109 -8.670 -13.525 -5.455 1.00 0.00 O ATOM 0 H SER A 109 -10.169 -12.306 -3.551 1.00 0.00 H new ATOM 0 HA SER A 109 -11.480 -14.738 -4.019 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.148 -14.816 -6.061 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.667 -13.166 -5.776 1.00 0.00 H new ATOM 0 HG SER A 109 -8.365 -13.289 -4.554 1.00 0.00 H new ATOM 1843 N HIS A 110 -8.472 -15.118 -2.786 1.00 0.00 N ATOM 1844 CA HIS A 110 -7.583 -16.139 -2.238 1.00 0.00 C ATOM 1845 C HIS A 110 -8.161 -16.693 -0.929 1.00 0.00 C ATOM 1846 O HIS A 110 -7.822 -17.787 -0.497 1.00 0.00 O ATOM 1847 CB HIS A 110 -6.195 -15.544 -1.946 1.00 0.00 C ATOM 1848 CG HIS A 110 -5.537 -14.899 -3.132 1.00 0.00 C ATOM 1849 ND1 HIS A 110 -5.323 -15.509 -4.344 1.00 0.00 N ATOM 1850 CD2 HIS A 110 -5.009 -13.651 -3.274 1.00 0.00 C ATOM 1851 CE1 HIS A 110 -4.697 -14.646 -5.141 1.00 0.00 C ATOM 1852 NE2 HIS A 110 -4.479 -13.491 -4.541 1.00 0.00 N ATOM 0 H HIS A 110 -8.171 -14.156 -2.630 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.492 -16.938 -2.974 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.290 -14.804 -1.151 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -5.545 -16.335 -1.570 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -5.597 -16.460 -4.591 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -5.005 -12.893 -2.505 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -4.403 -14.865 -6.157 1.00 0.00 H new ATOM 1860 N SER A 111 -9.052 -15.934 -0.306 1.00 0.00 N ATOM 1861 CA SER A 111 -9.670 -16.323 0.967 1.00 0.00 C ATOM 1862 C SER A 111 -11.093 -16.823 0.790 1.00 0.00 C ATOM 1863 O SER A 111 -11.784 -17.095 1.767 1.00 0.00 O ATOM 1864 CB SER A 111 -9.721 -15.121 1.896 1.00 0.00 C ATOM 1865 OG SER A 111 -10.524 -14.105 1.314 1.00 0.00 O ATOM 0 H SER A 111 -9.370 -15.033 -0.662 1.00 0.00 H new ATOM 0 HA SER A 111 -9.062 -17.128 1.380 1.00 0.00 H new ATOM 0 HB2 SER A 111 -10.130 -15.413 2.863 1.00 0.00 H new ATOM 0 HB3 SER A 111 -8.714 -14.745 2.076 1.00 0.00 H new ATOM 0 HG SER A 111 -9.972 -13.547 0.727 1.00 0.00 H new ATOM 1871 N SER A 112 -11.534 -16.952 -0.452 1.00 0.00 N ATOM 1872 CA SER A 112 -12.898 -17.410 -0.736 1.00 0.00 C ATOM 1873 C SER A 112 -13.203 -18.836 -0.241 1.00 0.00 C ATOM 1874 O SER A 112 -14.367 -19.227 -0.202 1.00 0.00 O ATOM 1875 CB SER A 112 -13.164 -17.298 -2.231 1.00 0.00 C ATOM 1876 OG SER A 112 -13.033 -15.944 -2.641 1.00 0.00 O ATOM 0 H SER A 112 -10.975 -16.749 -1.281 1.00 0.00 H new ATOM 0 HA SER A 112 -13.569 -16.760 -0.174 1.00 0.00 H new ATOM 0 HB2 SER A 112 -12.463 -17.924 -2.783 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.166 -17.662 -2.460 1.00 0.00 H new ATOM 0 HG SER A 112 -12.483 -15.457 -1.992 1.00 0.00 H new ATOM 1882 N TRP A 113 -12.155 -19.567 0.152 1.00 0.00 N ATOM 1883 CA TRP A 113 -12.242 -20.915 0.760 1.00 0.00 C ATOM 1884 C TRP A 113 -12.772 -22.023 -0.180 1.00 0.00 C ATOM 1885 O TRP A 113 -13.431 -21.755 -1.183 1.00 0.00 O ATOM 1886 CB TRP A 113 -13.051 -20.843 2.088 1.00 0.00 C ATOM 1887 CG TRP A 113 -13.455 -22.180 2.646 1.00 0.00 C ATOM 1888 CD1 TRP A 113 -12.724 -23.001 3.440 1.00 0.00 C ATOM 1889 CD2 TRP A 113 -14.694 -22.882 2.413 1.00 0.00 C ATOM 1890 NE1 TRP A 113 -13.385 -24.157 3.714 1.00 0.00 N ATOM 1891 CE2 TRP A 113 -14.607 -24.126 3.107 1.00 0.00 C ATOM 1892 CE3 TRP A 113 -15.859 -22.596 1.674 1.00 0.00 C ATOM 1893 CZ2 TRP A 113 -15.645 -25.078 3.082 1.00 0.00 C ATOM 1894 CZ3 TRP A 113 -16.911 -23.551 1.649 1.00 0.00 C ATOM 1895 CH2 TRP A 113 -16.787 -24.785 2.356 1.00 0.00 C ATOM 0 H TRP A 113 -11.195 -19.237 0.057 1.00 0.00 H new ATOM 0 HA TRP A 113 -11.217 -21.221 0.971 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -12.455 -20.318 2.834 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -13.948 -20.247 1.920 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -11.737 -22.765 3.810 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -13.025 -24.924 4.282 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -15.951 -21.665 1.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -15.552 -26.012 3.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -17.811 -23.342 1.091 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -17.596 -25.500 2.324 1.00 0.00 H new