USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 468 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 44 THR OG1 : rot 180:sc= -0.175 USER MOD Set 1.2: A 58 THR OG1 : rot -58:sc= 0.015 USER MOD Set 2.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.052 (180deg=0) USER MOD Single : A 2 SER OG : rot -22:sc= 0.545 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc=-0.00415 X(o=-0.0041,f=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -1.8 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.352 X(o=-0.35,f=-0.0025) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -69:sc= 0.152 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 171:sc= -0.49 (180deg=-0.893) USER MOD Single : A 35 MET CE :methyl 142:sc= -0.292 (180deg=-2.78!) USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= -0.0054 (180deg=-0.109) USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= -0.0114 (180deg=-0.471) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -56:sc= 0.0164 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.744 13.394 13.621 1.00 0.00 N ATOM 2 CA GLY A 1 -15.266 12.646 12.473 1.00 0.00 C ATOM 3 C GLY A 1 -16.290 11.652 11.961 1.00 0.00 C ATOM 4 O GLY A 1 -17.489 11.814 12.188 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.654 14.413 13.433 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.742 13.161 13.796 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.178 13.145 14.458 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.007 13.340 11.674 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.353 12.116 12.743 1.00 0.00 H new ATOM 8 N SER A 2 -15.817 10.622 11.268 1.00 0.00 N ATOM 9 CA SER A 2 -16.701 9.601 10.717 1.00 0.00 C ATOM 10 C SER A 2 -15.928 8.322 10.409 1.00 0.00 C ATOM 11 O SER A 2 -14.712 8.260 10.589 1.00 0.00 O ATOM 12 CB SER A 2 -17.382 10.117 9.448 1.00 0.00 C ATOM 13 OG SER A 2 -18.021 11.360 9.682 1.00 0.00 O ATOM 0 H SER A 2 -14.827 10.472 11.074 1.00 0.00 H new ATOM 0 HA SER A 2 -17.463 9.374 11.463 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.643 10.228 8.654 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.114 9.387 9.102 1.00 0.00 H new ATOM 0 HG SER A 2 -18.207 11.457 10.639 1.00 0.00 H new ATOM 19 N SER A 3 -16.644 7.303 9.944 1.00 0.00 N ATOM 20 CA SER A 3 -16.027 6.023 9.614 1.00 0.00 C ATOM 21 C SER A 3 -16.415 5.580 8.207 1.00 0.00 C ATOM 22 O SER A 3 -17.576 5.674 7.812 1.00 0.00 O ATOM 23 CB SER A 3 -16.442 4.957 10.629 1.00 0.00 C ATOM 24 OG SER A 3 -16.188 5.388 11.955 1.00 0.00 O ATOM 0 H SER A 3 -17.651 7.339 9.787 1.00 0.00 H new ATOM 0 HA SER A 3 -14.945 6.149 9.651 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.502 4.733 10.513 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.898 4.033 10.433 1.00 0.00 H new ATOM 0 HG SER A 3 -16.464 4.689 12.585 1.00 0.00 H new ATOM 30 N GLY A 4 -15.431 5.098 7.453 1.00 0.00 N ATOM 31 CA GLY A 4 -15.688 4.647 6.098 1.00 0.00 C ATOM 32 C GLY A 4 -14.828 5.365 5.076 1.00 0.00 C ATOM 33 O GLY A 4 -15.194 6.434 4.587 1.00 0.00 O ATOM 0 H GLY A 4 -14.461 5.012 7.757 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.504 3.575 6.034 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.740 4.805 5.859 1.00 0.00 H new ATOM 37 N SER A 5 -13.681 4.777 4.753 1.00 0.00 N ATOM 38 CA SER A 5 -12.764 5.369 3.786 1.00 0.00 C ATOM 39 C SER A 5 -12.954 4.749 2.406 1.00 0.00 C ATOM 40 O SER A 5 -12.422 3.677 2.116 1.00 0.00 O ATOM 41 CB SER A 5 -11.316 5.186 4.246 1.00 0.00 C ATOM 42 OG SER A 5 -10.420 5.883 3.398 1.00 0.00 O ATOM 0 H SER A 5 -13.364 3.891 5.147 1.00 0.00 H new ATOM 0 HA SER A 5 -12.984 6.434 3.719 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.208 5.546 5.269 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.065 4.125 4.253 1.00 0.00 H new ATOM 0 HG SER A 5 -9.502 5.752 3.714 1.00 0.00 H new ATOM 48 N SER A 6 -13.716 5.430 1.557 1.00 0.00 N ATOM 49 CA SER A 6 -13.981 4.945 0.207 1.00 0.00 C ATOM 50 C SER A 6 -12.872 5.371 -0.750 1.00 0.00 C ATOM 51 O SER A 6 -12.405 6.509 -0.711 1.00 0.00 O ATOM 52 CB SER A 6 -15.329 5.469 -0.291 1.00 0.00 C ATOM 53 OG SER A 6 -16.401 4.730 0.268 1.00 0.00 O ATOM 0 H SER A 6 -14.161 6.320 1.780 1.00 0.00 H new ATOM 0 HA SER A 6 -14.012 3.856 0.238 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.433 6.522 -0.029 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.368 5.406 -1.378 1.00 0.00 H new ATOM 0 HG SER A 6 -17.252 5.085 -0.064 1.00 0.00 H new ATOM 59 N GLY A 7 -12.454 4.448 -1.611 1.00 0.00 N ATOM 60 CA GLY A 7 -11.403 4.745 -2.566 1.00 0.00 C ATOM 61 C GLY A 7 -10.593 3.519 -2.937 1.00 0.00 C ATOM 62 O GLY A 7 -10.451 3.193 -4.115 1.00 0.00 O ATOM 0 H GLY A 7 -12.825 3.499 -1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.845 5.171 -3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.740 5.502 -2.148 1.00 0.00 H new ATOM 66 N GLY A 8 -10.057 2.838 -1.929 1.00 0.00 N ATOM 67 CA GLY A 8 -9.262 1.649 -2.176 1.00 0.00 C ATOM 68 C GLY A 8 -8.693 1.057 -0.902 1.00 0.00 C ATOM 69 O GLY A 8 -8.298 1.786 0.008 1.00 0.00 O ATOM 0 H GLY A 8 -10.159 3.088 -0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.878 0.902 -2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -8.445 1.896 -2.854 1.00 0.00 H new ATOM 73 N HIS A 9 -8.654 -0.270 -0.835 1.00 0.00 N ATOM 74 CA HIS A 9 -8.130 -0.961 0.338 1.00 0.00 C ATOM 75 C HIS A 9 -6.872 -1.749 -0.011 1.00 0.00 C ATOM 76 O HIS A 9 -6.884 -2.590 -0.911 1.00 0.00 O ATOM 77 CB HIS A 9 -9.189 -1.900 0.918 1.00 0.00 C ATOM 78 CG HIS A 9 -10.079 -1.247 1.931 1.00 0.00 C ATOM 79 ND1 HIS A 9 -10.661 -1.934 2.975 1.00 0.00 N ATOM 80 CD2 HIS A 9 -10.483 0.038 2.056 1.00 0.00 C ATOM 81 CE1 HIS A 9 -11.387 -1.100 3.698 1.00 0.00 C ATOM 82 NE2 HIS A 9 -11.295 0.104 3.162 1.00 0.00 N ATOM 0 H HIS A 9 -8.979 -0.888 -1.579 1.00 0.00 H new ATOM 0 HA HIS A 9 -7.871 -0.210 1.085 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -9.802 -2.289 0.105 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -8.692 -2.754 1.379 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -10.217 0.859 1.407 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -11.958 -1.358 4.577 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -11.752 0.946 3.512 1.00 0.00 H new ATOM 91 N CYS A 10 -5.788 -1.471 0.704 1.00 0.00 N ATOM 92 CA CYS A 10 -4.520 -2.152 0.468 1.00 0.00 C ATOM 93 C CYS A 10 -3.759 -2.353 1.775 1.00 0.00 C ATOM 94 O CYS A 10 -3.875 -1.552 2.703 1.00 0.00 O ATOM 95 CB CYS A 10 -3.664 -1.355 -0.516 1.00 0.00 C ATOM 96 SG CYS A 10 -2.968 0.165 0.173 1.00 0.00 S ATOM 0 H CYS A 10 -5.762 -0.778 1.452 1.00 0.00 H new ATOM 0 HA CYS A 10 -4.736 -3.131 0.040 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.849 -1.988 -0.868 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.270 -1.103 -1.386 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.258 0.768 -0.734 1.00 0.00 H new ATOM 102 N VAL A 11 -2.982 -3.430 1.842 1.00 0.00 N ATOM 103 CA VAL A 11 -2.203 -3.737 3.035 1.00 0.00 C ATOM 104 C VAL A 11 -0.743 -4.000 2.685 1.00 0.00 C ATOM 105 O VAL A 11 -0.441 -4.737 1.747 1.00 0.00 O ATOM 106 CB VAL A 11 -2.770 -4.963 3.776 1.00 0.00 C ATOM 107 CG1 VAL A 11 -4.192 -4.693 4.245 1.00 0.00 C ATOM 108 CG2 VAL A 11 -2.720 -6.194 2.884 1.00 0.00 C ATOM 0 H VAL A 11 -2.876 -4.104 1.084 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.267 -2.866 3.687 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.153 -5.153 4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.576 -5.570 4.766 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.196 -3.838 4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.824 -4.477 3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.124 -7.051 3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.313 -6.017 1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.687 -6.397 2.602 1.00 0.00 H new ATOM 118 N ALA A 12 0.161 -3.392 3.446 1.00 0.00 N ATOM 119 CA ALA A 12 1.591 -3.562 3.219 1.00 0.00 C ATOM 120 C ALA A 12 1.966 -5.039 3.161 1.00 0.00 C ATOM 121 O ALA A 12 1.645 -5.806 4.069 1.00 0.00 O ATOM 122 CB ALA A 12 2.386 -2.855 4.306 1.00 0.00 C ATOM 0 H ALA A 12 -0.072 -2.777 4.226 1.00 0.00 H new ATOM 0 HA ALA A 12 1.837 -3.114 2.256 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.452 -2.990 4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.149 -1.791 4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.128 -3.276 5.278 1.00 0.00 H new ATOM 128 N ILE A 13 2.646 -5.431 2.089 1.00 0.00 N ATOM 129 CA ILE A 13 3.064 -6.816 1.914 1.00 0.00 C ATOM 130 C ILE A 13 4.389 -7.083 2.620 1.00 0.00 C ATOM 131 O ILE A 13 4.571 -8.127 3.247 1.00 0.00 O ATOM 132 CB ILE A 13 3.207 -7.177 0.424 1.00 0.00 C ATOM 133 CG1 ILE A 13 1.957 -6.750 -0.349 1.00 0.00 C ATOM 134 CG2 ILE A 13 3.452 -8.670 0.262 1.00 0.00 C ATOM 135 CD1 ILE A 13 2.089 -6.909 -1.847 1.00 0.00 C ATOM 0 H ILE A 13 2.919 -4.809 1.328 1.00 0.00 H new ATOM 0 HA ILE A 13 2.287 -7.439 2.357 1.00 0.00 H new ATOM 0 HB ILE A 13 4.064 -6.641 0.016 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.107 -7.338 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.737 -5.707 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.551 -8.910 -0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.368 -8.947 0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.613 -9.224 0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.166 -6.587 -2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.918 -6.299 -2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.278 -7.955 -2.087 1.00 0.00 H new ATOM 147 N TYR A 14 5.311 -6.132 2.514 1.00 0.00 N ATOM 148 CA TYR A 14 6.621 -6.265 3.141 1.00 0.00 C ATOM 149 C TYR A 14 7.049 -4.952 3.790 1.00 0.00 C ATOM 150 O TYR A 14 6.641 -3.872 3.362 1.00 0.00 O ATOM 151 CB TYR A 14 7.662 -6.701 2.109 1.00 0.00 C ATOM 152 CG TYR A 14 7.140 -7.709 1.111 1.00 0.00 C ATOM 153 CD1 TYR A 14 6.978 -9.044 1.463 1.00 0.00 C ATOM 154 CD2 TYR A 14 6.809 -7.328 -0.183 1.00 0.00 C ATOM 155 CE1 TYR A 14 6.502 -9.969 0.554 1.00 0.00 C ATOM 156 CE2 TYR A 14 6.332 -8.246 -1.098 1.00 0.00 C ATOM 157 CZ TYR A 14 6.180 -9.565 -0.725 1.00 0.00 C ATOM 158 OH TYR A 14 5.705 -10.483 -1.633 1.00 0.00 O ATOM 0 H TYR A 14 5.176 -5.261 2.000 1.00 0.00 H new ATOM 0 HA TYR A 14 6.549 -7.027 3.917 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.019 -5.822 1.572 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.520 -7.128 2.629 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.228 -9.363 2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.927 -6.296 -0.479 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.383 -11.003 0.843 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.079 -7.933 -2.100 1.00 0.00 H new ATOM 0 HH TYR A 14 5.525 -10.036 -2.486 1.00 0.00 H new ATOM 168 N HIS A 15 7.877 -5.054 4.826 1.00 0.00 N ATOM 169 CA HIS A 15 8.363 -3.875 5.534 1.00 0.00 C ATOM 170 C HIS A 15 9.047 -2.907 4.573 1.00 0.00 C ATOM 171 O HIS A 15 10.125 -3.193 4.051 1.00 0.00 O ATOM 172 CB HIS A 15 9.334 -4.284 6.641 1.00 0.00 C ATOM 173 CG HIS A 15 10.285 -3.196 7.037 1.00 0.00 C ATOM 174 ND1 HIS A 15 9.981 -2.239 7.981 1.00 0.00 N ATOM 175 CD2 HIS A 15 11.539 -2.918 6.611 1.00 0.00 C ATOM 176 CE1 HIS A 15 11.007 -1.418 8.118 1.00 0.00 C ATOM 177 NE2 HIS A 15 11.966 -1.808 7.298 1.00 0.00 N ATOM 0 H HIS A 15 8.225 -5.940 5.193 1.00 0.00 H new ATOM 0 HA HIS A 15 7.506 -3.371 5.980 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.764 -4.593 7.517 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.905 -5.151 6.310 1.00 0.00 H new ATOM 0 HD2 HIS A 15 12.100 -3.467 5.869 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.054 -0.572 8.787 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.875 -1.358 7.192 1.00 0.00 H new ATOM 186 N PHE A 16 8.413 -1.762 4.343 1.00 0.00 N ATOM 187 CA PHE A 16 8.959 -0.753 3.443 1.00 0.00 C ATOM 188 C PHE A 16 9.312 0.521 4.205 1.00 0.00 C ATOM 189 O PHE A 16 8.430 1.234 4.684 1.00 0.00 O ATOM 190 CB PHE A 16 7.958 -0.435 2.331 1.00 0.00 C ATOM 191 CG PHE A 16 8.425 0.642 1.394 1.00 0.00 C ATOM 192 CD1 PHE A 16 9.204 0.329 0.291 1.00 0.00 C ATOM 193 CD2 PHE A 16 8.085 1.967 1.616 1.00 0.00 C ATOM 194 CE1 PHE A 16 9.635 1.318 -0.573 1.00 0.00 C ATOM 195 CE2 PHE A 16 8.513 2.959 0.754 1.00 0.00 C ATOM 196 CZ PHE A 16 9.290 2.635 -0.341 1.00 0.00 C ATOM 0 H PHE A 16 7.521 -1.510 4.768 1.00 0.00 H new ATOM 0 HA PHE A 16 9.870 -1.154 2.998 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.761 -1.342 1.760 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.013 -0.130 2.780 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.477 -0.699 0.105 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.479 2.227 2.471 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.241 1.061 -1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.240 3.988 0.937 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.627 3.410 -1.014 1.00 0.00 H new ATOM 206 N GLU A 17 10.607 0.800 4.313 1.00 0.00 N ATOM 207 CA GLU A 17 11.076 1.987 5.018 1.00 0.00 C ATOM 208 C GLU A 17 11.014 3.216 4.115 1.00 0.00 C ATOM 209 O GLU A 17 11.538 3.209 3.002 1.00 0.00 O ATOM 210 CB GLU A 17 12.507 1.779 5.517 1.00 0.00 C ATOM 211 CG GLU A 17 13.540 1.731 4.403 1.00 0.00 C ATOM 212 CD GLU A 17 14.952 1.550 4.924 1.00 0.00 C ATOM 213 OE1 GLU A 17 15.121 0.878 5.963 1.00 0.00 O ATOM 214 OE2 GLU A 17 15.889 2.081 4.292 1.00 0.00 O ATOM 0 H GLU A 17 11.350 0.221 3.922 1.00 0.00 H new ATOM 0 HA GLU A 17 10.421 2.152 5.874 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.764 2.585 6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.553 0.849 6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.299 0.912 3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.486 2.652 3.823 1.00 0.00 H new ATOM 221 N GLY A 18 10.369 4.271 4.605 1.00 0.00 N ATOM 222 CA GLY A 18 10.249 5.492 3.830 1.00 0.00 C ATOM 223 C GLY A 18 11.370 6.471 4.114 1.00 0.00 C ATOM 224 O GLY A 18 11.123 7.626 4.461 1.00 0.00 O ATOM 0 H GLY A 18 9.928 4.302 5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.246 5.246 2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.292 5.966 4.050 1.00 0.00 H new ATOM 228 N SER A 19 12.608 6.009 3.968 1.00 0.00 N ATOM 229 CA SER A 19 13.773 6.851 4.217 1.00 0.00 C ATOM 230 C SER A 19 13.981 7.842 3.075 1.00 0.00 C ATOM 231 O SER A 19 14.209 9.030 3.303 1.00 0.00 O ATOM 232 CB SER A 19 15.024 5.989 4.393 1.00 0.00 C ATOM 233 OG SER A 19 16.046 6.704 5.065 1.00 0.00 O ATOM 0 H SER A 19 12.830 5.056 3.679 1.00 0.00 H new ATOM 0 HA SER A 19 13.595 7.412 5.134 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.774 5.090 4.957 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.385 5.663 3.418 1.00 0.00 H new ATOM 0 HG SER A 19 16.834 6.130 5.166 1.00 0.00 H new ATOM 239 N SER A 20 13.899 7.343 1.845 1.00 0.00 N ATOM 240 CA SER A 20 14.082 8.183 0.667 1.00 0.00 C ATOM 241 C SER A 20 13.279 9.474 0.790 1.00 0.00 C ATOM 242 O SER A 20 12.477 9.633 1.709 1.00 0.00 O ATOM 243 CB SER A 20 13.661 7.426 -0.594 1.00 0.00 C ATOM 244 OG SER A 20 14.364 6.201 -0.712 1.00 0.00 O ATOM 0 H SER A 20 13.707 6.363 1.639 1.00 0.00 H new ATOM 0 HA SER A 20 15.139 8.439 0.594 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.589 7.232 -0.565 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.849 8.043 -1.472 1.00 0.00 H new ATOM 0 HG SER A 20 14.076 5.735 -1.525 1.00 0.00 H new ATOM 250 N GLU A 21 13.503 10.394 -0.144 1.00 0.00 N ATOM 251 CA GLU A 21 12.802 11.672 -0.139 1.00 0.00 C ATOM 252 C GLU A 21 11.381 11.515 -0.674 1.00 0.00 C ATOM 253 O GLU A 21 11.178 11.099 -1.813 1.00 0.00 O ATOM 254 CB GLU A 21 13.564 12.700 -0.979 1.00 0.00 C ATOM 255 CG GLU A 21 12.845 14.033 -1.108 1.00 0.00 C ATOM 256 CD GLU A 21 13.675 15.075 -1.833 1.00 0.00 C ATOM 257 OE1 GLU A 21 13.698 15.051 -3.082 1.00 0.00 O ATOM 258 OE2 GLU A 21 14.300 15.913 -1.152 1.00 0.00 O ATOM 0 H GLU A 21 14.164 10.278 -0.912 1.00 0.00 H new ATOM 0 HA GLU A 21 12.747 12.024 0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.544 12.867 -0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.733 12.290 -1.975 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.906 13.885 -1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.591 14.403 -0.114 1.00 0.00 H new ATOM 265 N GLY A 22 10.401 11.851 0.159 1.00 0.00 N ATOM 266 CA GLY A 22 9.012 11.740 -0.247 1.00 0.00 C ATOM 267 C GLY A 22 8.518 10.307 -0.237 1.00 0.00 C ATOM 268 O GLY A 22 8.176 9.753 -1.283 1.00 0.00 O ATOM 0 H GLY A 22 10.544 12.198 1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.393 12.339 0.420 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.895 12.154 -1.248 1.00 0.00 H new ATOM 272 N THR A 23 8.481 9.703 0.946 1.00 0.00 N ATOM 273 CA THR A 23 8.029 8.325 1.087 1.00 0.00 C ATOM 274 C THR A 23 7.540 8.049 2.505 1.00 0.00 C ATOM 275 O THR A 23 7.945 8.722 3.453 1.00 0.00 O ATOM 276 CB THR A 23 9.150 7.327 0.739 1.00 0.00 C ATOM 277 OG1 THR A 23 10.350 7.676 1.437 1.00 0.00 O ATOM 278 CG2 THR A 23 9.414 7.311 -0.759 1.00 0.00 C ATOM 0 H THR A 23 8.759 10.147 1.821 1.00 0.00 H new ATOM 0 HA THR A 23 7.203 8.190 0.388 1.00 0.00 H new ATOM 0 HB THR A 23 8.829 6.332 1.046 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.710 8.511 1.071 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.209 6.599 -0.981 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.506 7.016 -1.285 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.716 8.306 -1.086 1.00 0.00 H new ATOM 286 N ILE A 24 6.670 7.054 2.642 1.00 0.00 N ATOM 287 CA ILE A 24 6.129 6.689 3.945 1.00 0.00 C ATOM 288 C ILE A 24 6.478 5.248 4.301 1.00 0.00 C ATOM 289 O ILE A 24 6.641 4.402 3.422 1.00 0.00 O ATOM 290 CB ILE A 24 4.598 6.859 3.987 1.00 0.00 C ATOM 291 CG1 ILE A 24 4.051 6.415 5.345 1.00 0.00 C ATOM 292 CG2 ILE A 24 3.947 6.068 2.863 1.00 0.00 C ATOM 293 CD1 ILE A 24 2.631 6.870 5.602 1.00 0.00 C ATOM 0 H ILE A 24 6.325 6.487 1.867 1.00 0.00 H new ATOM 0 HA ILE A 24 6.582 7.361 4.674 1.00 0.00 H new ATOM 0 HB ILE A 24 4.360 7.914 3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.092 5.328 5.406 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.697 6.804 6.133 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.866 6.198 2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.318 6.427 1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.190 5.011 2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.309 6.520 6.583 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.587 7.959 5.573 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.973 6.460 4.836 1.00 0.00 H new ATOM 305 N SER A 25 6.591 4.975 5.597 1.00 0.00 N ATOM 306 CA SER A 25 6.924 3.636 6.071 1.00 0.00 C ATOM 307 C SER A 25 5.661 2.857 6.428 1.00 0.00 C ATOM 308 O SER A 25 4.629 3.443 6.755 1.00 0.00 O ATOM 309 CB SER A 25 7.848 3.717 7.287 1.00 0.00 C ATOM 310 OG SER A 25 7.263 4.490 8.321 1.00 0.00 O ATOM 0 H SER A 25 6.457 5.663 6.338 1.00 0.00 H new ATOM 0 HA SER A 25 7.440 3.110 5.267 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.060 2.713 7.655 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.801 4.157 6.995 1.00 0.00 H new ATOM 0 HG SER A 25 7.872 4.525 9.088 1.00 0.00 H new ATOM 316 N MET A 26 5.753 1.533 6.362 1.00 0.00 N ATOM 317 CA MET A 26 4.619 0.673 6.680 1.00 0.00 C ATOM 318 C MET A 26 5.092 -0.697 7.156 1.00 0.00 C ATOM 319 O MET A 26 6.135 -1.188 6.725 1.00 0.00 O ATOM 320 CB MET A 26 3.712 0.515 5.457 1.00 0.00 C ATOM 321 CG MET A 26 4.465 0.170 4.183 1.00 0.00 C ATOM 322 SD MET A 26 3.430 0.287 2.711 1.00 0.00 S ATOM 323 CE MET A 26 4.609 -0.146 1.433 1.00 0.00 C ATOM 0 H MET A 26 6.600 1.033 6.092 1.00 0.00 H new ATOM 0 HA MET A 26 4.054 1.143 7.485 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.978 -0.265 5.658 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.159 1.442 5.303 1.00 0.00 H new ATOM 0 HG2 MET A 26 5.318 0.840 4.077 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.863 -0.842 4.263 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.087 -0.275 0.485 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.348 0.649 1.335 1.00 0.00 H new ATOM 0 HE3 MET A 26 5.110 -1.076 1.700 1.00 0.00 H new ATOM 333 N ALA A 27 4.318 -1.309 8.047 1.00 0.00 N ATOM 334 CA ALA A 27 4.658 -2.622 8.580 1.00 0.00 C ATOM 335 C ALA A 27 4.153 -3.733 7.665 1.00 0.00 C ATOM 336 O ALA A 27 3.376 -3.485 6.744 1.00 0.00 O ATOM 337 CB ALA A 27 4.087 -2.788 9.980 1.00 0.00 C ATOM 0 H ALA A 27 3.451 -0.916 8.415 1.00 0.00 H new ATOM 0 HA ALA A 27 5.744 -2.695 8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.349 -3.773 10.365 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.500 -2.021 10.635 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.002 -2.689 9.945 1.00 0.00 H new ATOM 343 N GLU A 28 4.599 -4.958 7.927 1.00 0.00 N ATOM 344 CA GLU A 28 4.192 -6.106 7.125 1.00 0.00 C ATOM 345 C GLU A 28 2.775 -6.544 7.483 1.00 0.00 C ATOM 346 O GLU A 28 2.551 -7.177 8.513 1.00 0.00 O ATOM 347 CB GLU A 28 5.165 -7.269 7.330 1.00 0.00 C ATOM 348 CG GLU A 28 5.094 -8.321 6.236 1.00 0.00 C ATOM 349 CD GLU A 28 6.031 -9.487 6.486 1.00 0.00 C ATOM 350 OE1 GLU A 28 7.255 -9.258 6.571 1.00 0.00 O ATOM 351 OE2 GLU A 28 5.538 -10.630 6.598 1.00 0.00 O ATOM 0 H GLU A 28 5.241 -5.181 8.687 1.00 0.00 H new ATOM 0 HA GLU A 28 4.208 -5.809 6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.181 -6.877 7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.957 -7.741 8.290 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.072 -8.691 6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.339 -7.861 5.279 1.00 0.00 H new ATOM 358 N GLY A 29 1.821 -6.201 6.622 1.00 0.00 N ATOM 359 CA GLY A 29 0.437 -6.566 6.864 1.00 0.00 C ATOM 360 C GLY A 29 -0.327 -5.484 7.601 1.00 0.00 C ATOM 361 O GLY A 29 -1.240 -5.776 8.373 1.00 0.00 O ATOM 0 H GLY A 29 1.982 -5.677 5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.054 -6.769 5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.404 -7.489 7.443 1.00 0.00 H new ATOM 365 N GLU A 30 0.047 -4.230 7.364 1.00 0.00 N ATOM 366 CA GLU A 30 -0.609 -3.102 8.013 1.00 0.00 C ATOM 367 C GLU A 30 -1.683 -2.503 7.110 1.00 0.00 C ATOM 368 O GLU A 30 -1.488 -2.369 5.901 1.00 0.00 O ATOM 369 CB GLU A 30 0.419 -2.029 8.382 1.00 0.00 C ATOM 370 CG GLU A 30 -0.147 -0.917 9.249 1.00 0.00 C ATOM 371 CD GLU A 30 -0.667 -1.422 10.581 1.00 0.00 C ATOM 372 OE1 GLU A 30 -0.055 -2.357 11.140 1.00 0.00 O ATOM 373 OE2 GLU A 30 -1.684 -0.884 11.064 1.00 0.00 O ATOM 0 H GLU A 30 0.801 -3.971 6.727 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.086 -3.467 8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.251 -2.500 8.906 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.823 -1.595 7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.627 -0.170 9.425 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.955 -0.419 8.713 1.00 0.00 H new ATOM 380 N ASP A 31 -2.816 -2.146 7.704 1.00 0.00 N ATOM 381 CA ASP A 31 -3.921 -1.561 6.954 1.00 0.00 C ATOM 382 C ASP A 31 -3.579 -0.147 6.495 1.00 0.00 C ATOM 383 O ASP A 31 -2.973 0.628 7.236 1.00 0.00 O ATOM 384 CB ASP A 31 -5.190 -1.540 7.808 1.00 0.00 C ATOM 385 CG ASP A 31 -6.271 -0.657 7.216 1.00 0.00 C ATOM 386 OD1 ASP A 31 -6.726 -0.950 6.090 1.00 0.00 O ATOM 387 OD2 ASP A 31 -6.664 0.325 7.879 1.00 0.00 O ATOM 0 H ASP A 31 -2.993 -2.251 8.703 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.095 -2.177 6.072 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.571 -2.556 7.912 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.945 -1.187 8.810 1.00 0.00 H new ATOM 392 N LEU A 32 -3.969 0.182 5.269 1.00 0.00 N ATOM 393 CA LEU A 32 -3.702 1.503 4.710 1.00 0.00 C ATOM 394 C LEU A 32 -4.930 2.045 3.985 1.00 0.00 C ATOM 395 O LEU A 32 -5.808 1.285 3.576 1.00 0.00 O ATOM 396 CB LEU A 32 -2.514 1.441 3.748 1.00 0.00 C ATOM 397 CG LEU A 32 -1.210 0.892 4.327 1.00 0.00 C ATOM 398 CD1 LEU A 32 -0.212 0.606 3.216 1.00 0.00 C ATOM 399 CD2 LEU A 32 -0.622 1.868 5.336 1.00 0.00 C ATOM 0 H LEU A 32 -4.471 -0.447 4.643 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.461 2.177 5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.796 0.826 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.326 2.446 3.370 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.429 -0.044 4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.710 0.216 3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.632 -0.130 2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.002 1.527 2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.306 1.461 5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.418 2.820 4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.332 2.023 6.148 1.00 0.00 H new ATOM 411 N SER A 33 -4.984 3.364 3.828 1.00 0.00 N ATOM 412 CA SER A 33 -6.105 4.009 3.154 1.00 0.00 C ATOM 413 C SER A 33 -5.695 4.503 1.770 1.00 0.00 C ATOM 414 O SER A 33 -5.008 5.517 1.638 1.00 0.00 O ATOM 415 CB SER A 33 -6.627 5.177 3.991 1.00 0.00 C ATOM 416 OG SER A 33 -7.574 4.736 4.948 1.00 0.00 O ATOM 0 H SER A 33 -4.264 4.007 4.158 1.00 0.00 H new ATOM 0 HA SER A 33 -6.900 3.272 3.037 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.795 5.666 4.497 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.084 5.920 3.338 1.00 0.00 H new ATOM 0 HG SER A 33 -7.891 5.502 5.471 1.00 0.00 H new ATOM 422 N LEU A 34 -6.121 3.780 0.740 1.00 0.00 N ATOM 423 CA LEU A 34 -5.799 4.144 -0.635 1.00 0.00 C ATOM 424 C LEU A 34 -6.337 5.531 -0.972 1.00 0.00 C ATOM 425 O LEU A 34 -7.515 5.818 -0.763 1.00 0.00 O ATOM 426 CB LEU A 34 -6.377 3.111 -1.605 1.00 0.00 C ATOM 427 CG LEU A 34 -5.612 2.919 -2.915 1.00 0.00 C ATOM 428 CD1 LEU A 34 -5.669 4.184 -3.757 1.00 0.00 C ATOM 429 CD2 LEU A 34 -4.168 2.526 -2.637 1.00 0.00 C ATOM 0 H LEU A 34 -6.690 2.938 0.831 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.714 4.161 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.428 2.150 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.401 3.399 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.086 2.113 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.119 4.028 -4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.708 4.422 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.221 5.010 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.639 2.394 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.683 3.310 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.147 1.592 -2.075 1.00 0.00 H new ATOM 441 N MET A 35 -5.466 6.387 -1.496 1.00 0.00 N ATOM 442 CA MET A 35 -5.854 7.743 -1.865 1.00 0.00 C ATOM 443 C MET A 35 -5.626 7.988 -3.353 1.00 0.00 C ATOM 444 O MET A 35 -6.568 8.257 -4.098 1.00 0.00 O ATOM 445 CB MET A 35 -5.067 8.764 -1.041 1.00 0.00 C ATOM 446 CG MET A 35 -5.418 8.752 0.438 1.00 0.00 C ATOM 447 SD MET A 35 -6.987 9.568 0.787 1.00 0.00 S ATOM 448 CE MET A 35 -8.050 8.154 1.067 1.00 0.00 C ATOM 0 H MET A 35 -4.487 6.165 -1.675 1.00 0.00 H new ATOM 0 HA MET A 35 -6.917 7.860 -1.655 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.001 8.566 -1.155 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.251 9.761 -1.442 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.464 7.721 0.788 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.624 9.244 1.000 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.747 8.377 1.875 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.608 7.932 0.157 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.443 7.291 1.340 1.00 0.00 H new ATOM 458 N GLU A 36 -4.370 7.894 -3.778 1.00 0.00 N ATOM 459 CA GLU A 36 -4.020 8.107 -5.177 1.00 0.00 C ATOM 460 C GLU A 36 -3.588 6.799 -5.835 1.00 0.00 C ATOM 461 O GLU A 36 -2.610 6.178 -5.420 1.00 0.00 O ATOM 462 CB GLU A 36 -2.900 9.143 -5.294 1.00 0.00 C ATOM 463 CG GLU A 36 -3.367 10.571 -5.065 1.00 0.00 C ATOM 464 CD GLU A 36 -2.280 11.592 -5.340 1.00 0.00 C ATOM 465 OE1 GLU A 36 -1.674 11.533 -6.431 1.00 0.00 O ATOM 466 OE2 GLU A 36 -2.034 12.448 -4.465 1.00 0.00 O ATOM 0 H GLU A 36 -3.579 7.672 -3.174 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.905 8.479 -5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.119 8.905 -4.572 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.451 9.071 -6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.224 10.776 -5.707 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.708 10.677 -4.035 1.00 0.00 H new ATOM 473 N GLU A 37 -4.324 6.389 -6.863 1.00 0.00 N ATOM 474 CA GLU A 37 -4.018 5.155 -7.577 1.00 0.00 C ATOM 475 C GLU A 37 -2.738 5.303 -8.395 1.00 0.00 C ATOM 476 O GLU A 37 -2.308 6.416 -8.697 1.00 0.00 O ATOM 477 CB GLU A 37 -5.181 4.768 -8.493 1.00 0.00 C ATOM 478 CG GLU A 37 -6.188 3.838 -7.839 1.00 0.00 C ATOM 479 CD GLU A 37 -6.912 2.962 -8.843 1.00 0.00 C ATOM 480 OE1 GLU A 37 -7.461 3.512 -9.821 1.00 0.00 O ATOM 481 OE2 GLU A 37 -6.930 1.729 -8.651 1.00 0.00 O ATOM 0 H GLU A 37 -5.136 6.893 -7.220 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.868 4.366 -6.840 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.693 5.674 -8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.784 4.288 -9.387 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.675 3.206 -7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.918 4.430 -7.286 1.00 0.00 H new ATOM 488 N ASP A 38 -2.136 4.174 -8.749 1.00 0.00 N ATOM 489 CA ASP A 38 -0.906 4.177 -9.532 1.00 0.00 C ATOM 490 C ASP A 38 -1.181 3.775 -10.978 1.00 0.00 C ATOM 491 O ASP A 38 -1.667 2.676 -11.247 1.00 0.00 O ATOM 492 CB ASP A 38 0.121 3.227 -8.913 1.00 0.00 C ATOM 493 CG ASP A 38 0.025 1.823 -9.477 1.00 0.00 C ATOM 494 OD1 ASP A 38 0.680 1.551 -10.505 1.00 0.00 O ATOM 495 OD2 ASP A 38 -0.706 0.996 -8.892 1.00 0.00 O ATOM 0 H ASP A 38 -2.479 3.245 -8.506 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.503 5.190 -9.525 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.124 3.617 -9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.025 3.192 -7.833 1.00 0.00 H new ATOM 500 N LYS A 39 -0.868 4.673 -11.906 1.00 0.00 N ATOM 501 CA LYS A 39 -1.082 4.413 -13.325 1.00 0.00 C ATOM 502 C LYS A 39 0.248 4.227 -14.050 1.00 0.00 C ATOM 503 O LYS A 39 0.858 5.194 -14.505 1.00 0.00 O ATOM 504 CB LYS A 39 -1.866 5.562 -13.962 1.00 0.00 C ATOM 505 CG LYS A 39 -3.359 5.503 -13.692 1.00 0.00 C ATOM 506 CD LYS A 39 -4.114 6.548 -14.497 1.00 0.00 C ATOM 507 CE LYS A 39 -4.171 7.880 -13.766 1.00 0.00 C ATOM 508 NZ LYS A 39 -5.120 7.842 -12.618 1.00 0.00 N ATOM 0 H LYS A 39 -0.465 5.587 -11.701 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.659 3.493 -13.418 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.475 6.508 -13.589 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.699 5.551 -15.039 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.735 4.510 -13.939 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.544 5.658 -12.629 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.630 6.683 -15.464 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.127 6.196 -14.693 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.175 8.140 -13.406 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.473 8.663 -14.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.326 8.812 -12.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.003 7.379 -12.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.694 7.308 -11.833 1.00 0.00 H new ATOM 522 N GLY A 40 0.690 2.978 -14.155 1.00 0.00 N ATOM 523 CA GLY A 40 1.943 2.689 -14.826 1.00 0.00 C ATOM 524 C GLY A 40 3.120 3.404 -14.192 1.00 0.00 C ATOM 525 O GLY A 40 4.216 3.426 -14.751 1.00 0.00 O ATOM 0 H GLY A 40 0.202 2.161 -13.787 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.122 1.614 -14.807 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.866 2.981 -15.873 1.00 0.00 H new ATOM 529 N ASP A 41 2.892 3.992 -13.023 1.00 0.00 N ATOM 530 CA ASP A 41 3.942 4.712 -12.312 1.00 0.00 C ATOM 531 C ASP A 41 4.545 3.847 -11.210 1.00 0.00 C ATOM 532 O ASP A 41 5.730 3.955 -10.900 1.00 0.00 O ATOM 533 CB ASP A 41 3.388 6.007 -11.715 1.00 0.00 C ATOM 534 CG ASP A 41 3.469 7.172 -12.682 1.00 0.00 C ATOM 535 OD1 ASP A 41 3.459 6.927 -13.907 1.00 0.00 O ATOM 536 OD2 ASP A 41 3.544 8.327 -12.215 1.00 0.00 O ATOM 0 H ASP A 41 1.990 3.984 -12.548 1.00 0.00 H new ATOM 0 HA ASP A 41 4.727 4.957 -13.027 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.349 5.853 -11.422 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.942 6.252 -10.809 1.00 0.00 H new ATOM 541 N GLY A 42 3.719 2.987 -10.621 1.00 0.00 N ATOM 542 CA GLY A 42 4.188 2.117 -9.559 1.00 0.00 C ATOM 543 C GLY A 42 4.264 2.824 -8.220 1.00 0.00 C ATOM 544 O GLY A 42 4.916 2.343 -7.293 1.00 0.00 O ATOM 0 H GLY A 42 2.734 2.878 -10.861 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.521 1.259 -9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.174 1.731 -9.819 1.00 0.00 H new ATOM 548 N TRP A 43 3.600 3.969 -8.120 1.00 0.00 N ATOM 549 CA TRP A 43 3.597 4.745 -6.885 1.00 0.00 C ATOM 550 C TRP A 43 2.174 4.971 -6.386 1.00 0.00 C ATOM 551 O TRP A 43 1.335 5.521 -7.100 1.00 0.00 O ATOM 552 CB TRP A 43 4.293 6.090 -7.102 1.00 0.00 C ATOM 553 CG TRP A 43 5.777 5.969 -7.279 1.00 0.00 C ATOM 554 CD1 TRP A 43 6.480 6.138 -8.437 1.00 0.00 C ATOM 555 CD2 TRP A 43 6.738 5.650 -6.266 1.00 0.00 C ATOM 556 NE1 TRP A 43 7.821 5.944 -8.206 1.00 0.00 N ATOM 557 CE2 TRP A 43 8.005 5.644 -6.882 1.00 0.00 C ATOM 558 CE3 TRP A 43 6.651 5.372 -4.900 1.00 0.00 C ATOM 559 CZ2 TRP A 43 9.173 5.370 -6.176 1.00 0.00 C ATOM 560 CZ3 TRP A 43 7.812 5.098 -4.201 1.00 0.00 C ATOM 561 CH2 TRP A 43 9.059 5.100 -4.839 1.00 0.00 C ATOM 0 H TRP A 43 3.057 4.381 -8.879 1.00 0.00 H new ATOM 0 HA TRP A 43 4.141 4.179 -6.129 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.868 6.573 -7.981 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.087 6.739 -6.251 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.046 6.387 -9.394 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.559 6.012 -8.907 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.694 5.371 -4.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.135 5.370 -6.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.756 4.879 -3.145 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.948 4.884 -4.265 1.00 0.00 H new ATOM 572 N THR A 44 1.907 4.542 -5.157 1.00 0.00 N ATOM 573 CA THR A 44 0.585 4.696 -4.564 1.00 0.00 C ATOM 574 C THR A 44 0.658 5.463 -3.248 1.00 0.00 C ATOM 575 O THR A 44 1.513 5.188 -2.406 1.00 0.00 O ATOM 576 CB THR A 44 -0.081 3.330 -4.312 1.00 0.00 C ATOM 577 OG1 THR A 44 -0.017 2.528 -5.497 1.00 0.00 O ATOM 578 CG2 THR A 44 -1.532 3.505 -3.890 1.00 0.00 C ATOM 0 H THR A 44 2.590 4.085 -4.552 1.00 0.00 H new ATOM 0 HA THR A 44 -0.017 5.259 -5.277 1.00 0.00 H new ATOM 0 HB THR A 44 0.457 2.831 -3.506 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.441 1.661 -5.328 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.981 2.527 -3.718 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.576 4.091 -2.972 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.080 4.022 -4.677 1.00 0.00 H new ATOM 586 N ARG A 45 -0.243 6.424 -3.078 1.00 0.00 N ATOM 587 CA ARG A 45 -0.280 7.231 -1.864 1.00 0.00 C ATOM 588 C ARG A 45 -1.421 6.790 -0.952 1.00 0.00 C ATOM 589 O ARG A 45 -2.592 6.872 -1.323 1.00 0.00 O ATOM 590 CB ARG A 45 -0.436 8.712 -2.215 1.00 0.00 C ATOM 591 CG ARG A 45 -0.393 9.632 -1.006 1.00 0.00 C ATOM 592 CD ARG A 45 -0.197 11.083 -1.416 1.00 0.00 C ATOM 593 NE ARG A 45 -0.313 11.994 -0.281 1.00 0.00 N ATOM 594 CZ ARG A 45 0.228 13.207 -0.253 1.00 0.00 C ATOM 595 NH1 ARG A 45 0.917 13.653 -1.294 1.00 0.00 N ATOM 596 NH2 ARG A 45 0.078 13.977 0.817 1.00 0.00 N ATOM 0 H ARG A 45 -0.958 6.663 -3.765 1.00 0.00 H new ATOM 0 HA ARG A 45 0.662 7.088 -1.334 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.356 8.998 -2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.382 8.855 -2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.320 9.535 -0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.418 9.327 -0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.784 11.200 -1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.937 11.349 -2.171 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.838 11.682 0.536 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.033 13.064 -2.119 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.331 14.585 -1.270 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.453 13.638 1.619 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.494 14.908 0.838 1.00 0.00 H new ATOM 610 N VAL A 46 -1.072 6.323 0.242 1.00 0.00 N ATOM 611 CA VAL A 46 -2.066 5.870 1.207 1.00 0.00 C ATOM 612 C VAL A 46 -2.029 6.717 2.474 1.00 0.00 C ATOM 613 O VAL A 46 -1.095 7.490 2.688 1.00 0.00 O ATOM 614 CB VAL A 46 -1.850 4.392 1.584 1.00 0.00 C ATOM 615 CG1 VAL A 46 -2.056 3.496 0.373 1.00 0.00 C ATOM 616 CG2 VAL A 46 -0.463 4.192 2.177 1.00 0.00 C ATOM 0 H VAL A 46 -0.107 6.248 0.564 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.041 5.977 0.731 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.586 4.116 2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.899 2.456 0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.072 3.620 -0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.345 3.769 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.327 3.142 2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.291 4.485 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.358 4.805 3.072 1.00 0.00 H new ATOM 626 N ARG A 47 -3.050 6.566 3.310 1.00 0.00 N ATOM 627 CA ARG A 47 -3.135 7.318 4.556 1.00 0.00 C ATOM 628 C ARG A 47 -3.203 6.377 5.756 1.00 0.00 C ATOM 629 O ARG A 47 -3.983 5.424 5.766 1.00 0.00 O ATOM 630 CB ARG A 47 -4.361 8.233 4.542 1.00 0.00 C ATOM 631 CG ARG A 47 -4.591 8.962 5.856 1.00 0.00 C ATOM 632 CD ARG A 47 -5.974 9.593 5.908 1.00 0.00 C ATOM 633 NE ARG A 47 -6.090 10.734 5.003 1.00 0.00 N ATOM 634 CZ ARG A 47 -7.247 11.181 4.528 1.00 0.00 C ATOM 635 NH1 ARG A 47 -8.382 10.587 4.871 1.00 0.00 N ATOM 636 NH2 ARG A 47 -7.270 12.225 3.710 1.00 0.00 N ATOM 0 H ARG A 47 -3.830 5.930 3.147 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.236 7.928 4.645 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.247 8.967 3.744 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.244 7.640 4.306 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.477 8.264 6.685 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.832 9.734 5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.723 8.846 5.647 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.187 9.916 6.927 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.235 11.214 4.720 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.368 9.785 5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.269 10.932 4.505 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.399 12.685 3.445 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.159 12.568 3.346 1.00 0.00 H new ATOM 650 N ARG A 48 -2.381 6.651 6.764 1.00 0.00 N ATOM 651 CA ARG A 48 -2.347 5.828 7.967 1.00 0.00 C ATOM 652 C ARG A 48 -3.390 6.298 8.977 1.00 0.00 C ATOM 653 O ARG A 48 -3.802 7.458 8.966 1.00 0.00 O ATOM 654 CB ARG A 48 -0.954 5.870 8.599 1.00 0.00 C ATOM 655 CG ARG A 48 0.109 5.160 7.777 1.00 0.00 C ATOM 656 CD ARG A 48 1.509 5.498 8.266 1.00 0.00 C ATOM 657 NE ARG A 48 1.765 4.969 9.603 1.00 0.00 N ATOM 658 CZ ARG A 48 2.174 3.727 9.836 1.00 0.00 C ATOM 659 NH1 ARG A 48 2.373 2.891 8.826 1.00 0.00 N ATOM 660 NH2 ARG A 48 2.385 3.319 11.081 1.00 0.00 N ATOM 0 H ARG A 48 -1.730 7.436 6.771 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.579 4.802 7.682 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.659 6.910 8.739 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.999 5.416 9.589 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.047 4.083 7.832 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.010 5.444 6.729 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.244 5.094 7.570 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.639 6.580 8.273 1.00 0.00 H new ATOM 0 HE ARG A 48 1.622 5.587 10.402 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.212 3.201 7.868 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.687 1.938 9.007 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.233 3.959 11.860 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.699 2.365 11.259 1.00 0.00 H new ATOM 674 N LYS A 49 -3.813 5.390 9.849 1.00 0.00 N ATOM 675 CA LYS A 49 -4.807 5.709 10.866 1.00 0.00 C ATOM 676 C LYS A 49 -4.167 6.441 12.042 1.00 0.00 C ATOM 677 O LYS A 49 -4.834 6.755 13.027 1.00 0.00 O ATOM 678 CB LYS A 49 -5.492 4.433 11.359 1.00 0.00 C ATOM 679 CG LYS A 49 -6.772 4.690 12.136 1.00 0.00 C ATOM 680 CD LYS A 49 -7.983 4.722 11.219 1.00 0.00 C ATOM 681 CE LYS A 49 -8.620 3.347 11.087 1.00 0.00 C ATOM 682 NZ LYS A 49 -8.047 2.578 9.948 1.00 0.00 N ATOM 0 H LYS A 49 -3.482 4.425 9.872 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.553 6.363 10.415 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.718 3.798 10.502 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.798 3.879 11.992 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.904 3.913 12.888 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.692 5.638 12.668 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.717 5.428 11.608 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.685 5.082 10.234 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.474 2.789 12.012 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.695 3.457 10.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.689 1.799 9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.929 3.207 9.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.122 2.189 10.222 1.00 0.00 H new ATOM 696 N GLU A 50 -2.870 6.711 11.929 1.00 0.00 N ATOM 697 CA GLU A 50 -2.141 7.407 12.983 1.00 0.00 C ATOM 698 C GLU A 50 -1.987 8.888 12.652 1.00 0.00 C ATOM 699 O GLU A 50 -2.129 9.748 13.521 1.00 0.00 O ATOM 700 CB GLU A 50 -0.763 6.773 13.185 1.00 0.00 C ATOM 701 CG GLU A 50 0.296 7.755 13.658 1.00 0.00 C ATOM 702 CD GLU A 50 1.423 7.078 14.414 1.00 0.00 C ATOM 703 OE1 GLU A 50 1.285 6.891 15.641 1.00 0.00 O ATOM 704 OE2 GLU A 50 2.442 6.737 13.779 1.00 0.00 O ATOM 0 H GLU A 50 -2.303 6.459 11.119 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.714 7.316 13.906 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.847 5.965 13.912 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.437 6.325 12.246 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.707 8.283 12.797 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.169 8.504 14.300 1.00 0.00 H new ATOM 711 N GLY A 51 -1.696 9.179 11.387 1.00 0.00 N ATOM 712 CA GLY A 51 -1.528 10.557 10.963 1.00 0.00 C ATOM 713 C GLY A 51 -0.327 10.741 10.057 1.00 0.00 C ATOM 714 O GLY A 51 0.468 11.660 10.247 1.00 0.00 O ATOM 0 H GLY A 51 -1.574 8.485 10.649 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.427 10.886 10.441 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.418 11.194 11.841 1.00 0.00 H new ATOM 718 N GLY A 52 -0.193 9.862 9.068 1.00 0.00 N ATOM 719 CA GLY A 52 0.923 9.949 8.144 1.00 0.00 C ATOM 720 C GLY A 52 0.600 9.357 6.787 1.00 0.00 C ATOM 721 O GLY A 52 -0.048 8.315 6.696 1.00 0.00 O ATOM 0 H GLY A 52 -0.837 9.091 8.890 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.209 10.994 8.022 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.783 9.430 8.568 1.00 0.00 H new ATOM 725 N GLU A 53 1.052 10.024 5.729 1.00 0.00 N ATOM 726 CA GLU A 53 0.804 9.558 4.370 1.00 0.00 C ATOM 727 C GLU A 53 2.015 9.813 3.478 1.00 0.00 C ATOM 728 O GLU A 53 2.772 10.758 3.696 1.00 0.00 O ATOM 729 CB GLU A 53 -0.429 10.251 3.786 1.00 0.00 C ATOM 730 CG GLU A 53 -0.294 11.762 3.701 1.00 0.00 C ATOM 731 CD GLU A 53 -0.657 12.454 5.000 1.00 0.00 C ATOM 732 OE1 GLU A 53 -1.847 12.787 5.184 1.00 0.00 O ATOM 733 OE2 GLU A 53 0.249 12.663 5.833 1.00 0.00 O ATOM 0 H GLU A 53 1.591 10.888 5.787 1.00 0.00 H new ATOM 0 HA GLU A 53 0.623 8.484 4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.620 9.855 2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.297 10.006 4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.731 12.017 3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.935 12.136 2.903 1.00 0.00 H new ATOM 740 N GLY A 54 2.191 8.963 2.471 1.00 0.00 N ATOM 741 CA GLY A 54 3.312 9.113 1.561 1.00 0.00 C ATOM 742 C GLY A 54 3.177 8.243 0.327 1.00 0.00 C ATOM 743 O GLY A 54 2.191 7.522 0.172 1.00 0.00 O ATOM 0 H GLY A 54 1.578 8.173 2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.393 10.157 1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.235 8.859 2.082 1.00 0.00 H new ATOM 747 N TYR A 55 4.169 8.311 -0.554 1.00 0.00 N ATOM 748 CA TYR A 55 4.155 7.526 -1.783 1.00 0.00 C ATOM 749 C TYR A 55 4.917 6.217 -1.603 1.00 0.00 C ATOM 750 O TYR A 55 6.125 6.217 -1.365 1.00 0.00 O ATOM 751 CB TYR A 55 4.763 8.330 -2.933 1.00 0.00 C ATOM 752 CG TYR A 55 3.868 9.440 -3.437 1.00 0.00 C ATOM 753 CD1 TYR A 55 2.853 9.180 -4.349 1.00 0.00 C ATOM 754 CD2 TYR A 55 4.038 10.748 -3.001 1.00 0.00 C ATOM 755 CE1 TYR A 55 2.033 10.190 -4.813 1.00 0.00 C ATOM 756 CE2 TYR A 55 3.222 11.765 -3.458 1.00 0.00 C ATOM 757 CZ TYR A 55 2.221 11.481 -4.364 1.00 0.00 C ATOM 758 OH TYR A 55 1.407 12.491 -4.823 1.00 0.00 O ATOM 0 H TYR A 55 4.993 8.902 -0.440 1.00 0.00 H new ATOM 0 HA TYR A 55 3.118 7.291 -2.022 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.710 8.759 -2.604 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.989 7.654 -3.758 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.702 8.170 -4.701 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.821 10.974 -2.293 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.249 9.970 -5.523 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.367 12.776 -3.108 1.00 0.00 H new ATOM 0 HH TYR A 55 1.671 13.338 -4.408 1.00 0.00 H new ATOM 768 N VAL A 56 4.202 5.103 -1.718 1.00 0.00 N ATOM 769 CA VAL A 56 4.810 3.786 -1.570 1.00 0.00 C ATOM 770 C VAL A 56 4.745 3.001 -2.875 1.00 0.00 C ATOM 771 O VAL A 56 3.846 3.185 -3.695 1.00 0.00 O ATOM 772 CB VAL A 56 4.122 2.972 -0.459 1.00 0.00 C ATOM 773 CG1 VAL A 56 4.072 3.769 0.835 1.00 0.00 C ATOM 774 CG2 VAL A 56 2.724 2.555 -0.892 1.00 0.00 C ATOM 0 H VAL A 56 3.201 5.086 -1.913 1.00 0.00 H new ATOM 0 HA VAL A 56 5.853 3.948 -1.298 1.00 0.00 H new ATOM 0 HB VAL A 56 4.707 2.070 -0.279 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.582 3.177 1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.086 4.012 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.512 4.690 0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.252 1.981 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.128 3.443 -1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.789 1.942 -1.791 1.00 0.00 H new ATOM 784 N PRO A 57 5.721 2.102 -3.074 1.00 0.00 N ATOM 785 CA PRO A 57 5.796 1.269 -4.278 1.00 0.00 C ATOM 786 C PRO A 57 4.688 0.223 -4.330 1.00 0.00 C ATOM 787 O PRO A 57 4.578 -0.624 -3.442 1.00 0.00 O ATOM 788 CB PRO A 57 7.165 0.594 -4.157 1.00 0.00 C ATOM 789 CG PRO A 57 7.453 0.582 -2.695 1.00 0.00 C ATOM 790 CD PRO A 57 6.826 1.830 -2.139 1.00 0.00 C ATOM 0 HA PRO A 57 5.674 1.856 -5.188 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.146 -0.417 -4.565 1.00 0.00 H new ATOM 0 HB3 PRO A 57 7.928 1.145 -4.706 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.037 -0.308 -2.223 1.00 0.00 H new ATOM 0 HG3 PRO A 57 8.527 0.569 -2.509 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.464 1.679 -1.122 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.536 2.656 -2.105 1.00 0.00 H new ATOM 798 N THR A 58 3.869 0.286 -5.374 1.00 0.00 N ATOM 799 CA THR A 58 2.769 -0.655 -5.541 1.00 0.00 C ATOM 800 C THR A 58 3.205 -2.076 -5.203 1.00 0.00 C ATOM 801 O THR A 58 2.466 -2.829 -4.569 1.00 0.00 O ATOM 802 CB THR A 58 2.218 -0.627 -6.979 1.00 0.00 C ATOM 803 OG1 THR A 58 2.056 0.727 -7.415 1.00 0.00 O ATOM 804 CG2 THR A 58 0.885 -1.356 -7.063 1.00 0.00 C ATOM 0 H THR A 58 3.947 0.980 -6.118 1.00 0.00 H new ATOM 0 HA THR A 58 1.982 -0.346 -4.853 1.00 0.00 H new ATOM 0 HB THR A 58 2.932 -1.134 -7.628 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.452 1.197 -6.804 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.516 -1.323 -8.088 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.018 -2.394 -6.759 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.164 -0.874 -6.402 1.00 0.00 H new ATOM 812 N SER A 59 4.411 -2.437 -5.631 1.00 0.00 N ATOM 813 CA SER A 59 4.945 -3.770 -5.377 1.00 0.00 C ATOM 814 C SER A 59 4.699 -4.187 -3.929 1.00 0.00 C ATOM 815 O SER A 59 4.377 -5.342 -3.650 1.00 0.00 O ATOM 816 CB SER A 59 6.443 -3.810 -5.683 1.00 0.00 C ATOM 817 OG SER A 59 6.684 -3.652 -7.071 1.00 0.00 O ATOM 0 H SER A 59 5.036 -1.825 -6.155 1.00 0.00 H new ATOM 0 HA SER A 59 4.429 -4.472 -6.032 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.952 -3.020 -5.130 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.862 -4.757 -5.343 1.00 0.00 H new ATOM 0 HG SER A 59 7.649 -3.679 -7.241 1.00 0.00 H new ATOM 823 N TYR A 60 4.853 -3.237 -3.013 1.00 0.00 N ATOM 824 CA TYR A 60 4.651 -3.504 -1.594 1.00 0.00 C ATOM 825 C TYR A 60 3.208 -3.225 -1.188 1.00 0.00 C ATOM 826 O TYR A 60 2.934 -2.840 -0.050 1.00 0.00 O ATOM 827 CB TYR A 60 5.604 -2.653 -0.753 1.00 0.00 C ATOM 828 CG TYR A 60 7.054 -3.062 -0.879 1.00 0.00 C ATOM 829 CD1 TYR A 60 7.674 -3.117 -2.121 1.00 0.00 C ATOM 830 CD2 TYR A 60 7.803 -3.394 0.243 1.00 0.00 C ATOM 831 CE1 TYR A 60 8.999 -3.491 -2.242 1.00 0.00 C ATOM 832 CE2 TYR A 60 9.128 -3.767 0.132 1.00 0.00 C ATOM 833 CZ TYR A 60 9.722 -3.815 -1.113 1.00 0.00 C ATOM 834 OH TYR A 60 11.041 -4.188 -1.228 1.00 0.00 O ATOM 0 H TYR A 60 5.117 -2.275 -3.228 1.00 0.00 H new ATOM 0 HA TYR A 60 4.862 -4.558 -1.414 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.503 -1.609 -1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.307 -2.717 0.294 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.111 -2.863 -3.007 1.00 0.00 H new ATOM 0 HD2 TYR A 60 7.341 -3.360 1.219 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.466 -3.529 -3.215 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.697 -4.020 1.015 1.00 0.00 H new ATOM 0 HH TYR A 60 11.405 -4.382 -0.339 1.00 0.00 H new ATOM 844 N LEU A 61 2.287 -3.424 -2.125 1.00 0.00 N ATOM 845 CA LEU A 61 0.870 -3.195 -1.866 1.00 0.00 C ATOM 846 C LEU A 61 0.022 -4.326 -2.439 1.00 0.00 C ATOM 847 O LEU A 61 -0.021 -4.529 -3.652 1.00 0.00 O ATOM 848 CB LEU A 61 0.431 -1.858 -2.467 1.00 0.00 C ATOM 849 CG LEU A 61 1.102 -0.611 -1.890 1.00 0.00 C ATOM 850 CD1 LEU A 61 0.527 0.646 -2.525 1.00 0.00 C ATOM 851 CD2 LEU A 61 0.940 -0.568 -0.378 1.00 0.00 C ATOM 0 H LEU A 61 2.496 -3.743 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 61 0.723 -3.167 -0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.621 -1.885 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.647 -1.760 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 61 2.167 -0.656 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.016 1.524 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.696 0.620 -3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.544 0.697 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.424 0.326 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.120 -0.547 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.400 -1.452 0.063 1.00 0.00 H new ATOM 863 N ARG A 62 -0.652 -5.058 -1.558 1.00 0.00 N ATOM 864 CA ARG A 62 -1.500 -6.167 -1.976 1.00 0.00 C ATOM 865 C ARG A 62 -2.974 -5.834 -1.767 1.00 0.00 C ATOM 866 O ARG A 62 -3.474 -5.861 -0.643 1.00 0.00 O ATOM 867 CB ARG A 62 -1.137 -7.435 -1.200 1.00 0.00 C ATOM 868 CG ARG A 62 -2.113 -8.580 -1.414 1.00 0.00 C ATOM 869 CD ARG A 62 -1.723 -9.804 -0.600 1.00 0.00 C ATOM 870 NE ARG A 62 -2.830 -10.747 -0.464 1.00 0.00 N ATOM 871 CZ ARG A 62 -2.877 -11.695 0.465 1.00 0.00 C ATOM 872 NH1 ARG A 62 -1.885 -11.826 1.335 1.00 0.00 N ATOM 873 NH2 ARG A 62 -3.919 -12.515 0.526 1.00 0.00 N ATOM 0 H ARG A 62 -0.627 -4.903 -0.550 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.332 -6.339 -3.039 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.139 -7.759 -1.496 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.093 -7.200 -0.137 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.117 -8.261 -1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.144 -8.840 -2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.879 -10.302 -1.077 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.391 -9.490 0.390 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.609 -10.674 -1.118 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.083 -11.198 1.292 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.924 -12.555 2.047 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.685 -12.417 -0.141 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.954 -13.243 1.240 1.00 0.00 H new ATOM 887 N VAL A 63 -3.665 -5.519 -2.858 1.00 0.00 N ATOM 888 CA VAL A 63 -5.082 -5.181 -2.795 1.00 0.00 C ATOM 889 C VAL A 63 -5.865 -6.236 -2.022 1.00 0.00 C ATOM 890 O VAL A 63 -5.951 -7.392 -2.439 1.00 0.00 O ATOM 891 CB VAL A 63 -5.688 -5.038 -4.204 1.00 0.00 C ATOM 892 CG1 VAL A 63 -7.180 -4.755 -4.117 1.00 0.00 C ATOM 893 CG2 VAL A 63 -4.974 -3.944 -4.982 1.00 0.00 C ATOM 0 H VAL A 63 -3.266 -5.491 -3.796 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.156 -4.225 -2.277 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.551 -5.979 -4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.591 -4.657 -5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.677 -5.576 -3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.343 -3.829 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.415 -3.857 -5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.077 -2.996 -4.454 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.917 -4.194 -5.075 1.00 0.00 H new ATOM 903 N THR A 64 -6.435 -5.832 -0.891 1.00 0.00 N ATOM 904 CA THR A 64 -7.211 -6.742 -0.058 1.00 0.00 C ATOM 905 C THR A 64 -8.082 -7.659 -0.909 1.00 0.00 C ATOM 906 O THR A 64 -8.550 -7.269 -1.978 1.00 0.00 O ATOM 907 CB THR A 64 -8.107 -5.973 0.930 1.00 0.00 C ATOM 908 OG1 THR A 64 -9.057 -5.177 0.213 1.00 0.00 O ATOM 909 CG2 THR A 64 -7.273 -5.081 1.837 1.00 0.00 C ATOM 0 H THR A 64 -6.374 -4.880 -0.531 1.00 0.00 H new ATOM 0 HA THR A 64 -6.496 -7.343 0.504 1.00 0.00 H new ATOM 0 HB THR A 64 -8.635 -6.700 1.548 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.624 -4.693 0.849 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.928 -4.548 2.526 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.571 -5.693 2.404 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.721 -4.362 1.232 1.00 0.00 H new ATOM 917 N SER A 65 -8.295 -8.880 -0.427 1.00 0.00 N ATOM 918 CA SER A 65 -9.108 -9.854 -1.146 1.00 0.00 C ATOM 919 C SER A 65 -10.578 -9.727 -0.758 1.00 0.00 C ATOM 920 O SER A 65 -10.906 -9.468 0.399 1.00 0.00 O ATOM 921 CB SER A 65 -8.613 -11.273 -0.859 1.00 0.00 C ATOM 922 OG SER A 65 -8.634 -11.549 0.531 1.00 0.00 O ATOM 0 H SER A 65 -7.916 -9.218 0.458 1.00 0.00 H new ATOM 0 HA SER A 65 -9.014 -9.653 -2.213 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.239 -11.993 -1.385 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.599 -11.392 -1.241 1.00 0.00 H new ATOM 0 HG SER A 65 -8.315 -12.462 0.688 1.00 0.00 H new ATOM 928 N GLY A 66 -11.460 -9.911 -1.736 1.00 0.00 N ATOM 929 CA GLY A 66 -12.884 -9.814 -1.478 1.00 0.00 C ATOM 930 C GLY A 66 -13.498 -8.566 -2.081 1.00 0.00 C ATOM 931 O GLY A 66 -13.672 -7.547 -1.412 1.00 0.00 O ATOM 0 H GLY A 66 -11.213 -10.125 -2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.384 -10.694 -1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -13.056 -9.817 -0.402 1.00 0.00 H new ATOM 935 N PRO A 67 -13.838 -8.636 -3.377 1.00 0.00 N ATOM 936 CA PRO A 67 -14.440 -7.511 -4.099 1.00 0.00 C ATOM 937 C PRO A 67 -15.865 -7.224 -3.641 1.00 0.00 C ATOM 938 O PRO A 67 -16.540 -8.098 -3.096 1.00 0.00 O ATOM 939 CB PRO A 67 -14.431 -7.980 -5.556 1.00 0.00 C ATOM 940 CG PRO A 67 -14.436 -9.468 -5.476 1.00 0.00 C ATOM 941 CD PRO A 67 -13.660 -9.818 -4.237 1.00 0.00 C ATOM 0 HA PRO A 67 -13.896 -6.581 -3.932 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.302 -7.610 -6.096 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -13.550 -7.615 -6.084 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -15.454 -9.852 -5.420 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.977 -9.908 -6.361 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.045 -10.721 -3.763 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.608 -9.998 -4.459 1.00 0.00 H new ATOM 949 N SER A 68 -16.319 -5.995 -3.865 1.00 0.00 N ATOM 950 CA SER A 68 -17.664 -5.593 -3.471 1.00 0.00 C ATOM 951 C SER A 68 -18.588 -5.529 -4.683 1.00 0.00 C ATOM 952 O SER A 68 -18.249 -4.934 -5.706 1.00 0.00 O ATOM 953 CB SER A 68 -17.628 -4.233 -2.772 1.00 0.00 C ATOM 954 OG SER A 68 -18.926 -3.671 -2.681 1.00 0.00 O ATOM 0 H SER A 68 -15.775 -5.260 -4.317 1.00 0.00 H new ATOM 0 HA SER A 68 -18.052 -6.340 -2.778 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.206 -4.345 -1.773 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.973 -3.556 -3.320 1.00 0.00 H new ATOM 0 HG SER A 68 -18.876 -2.803 -2.229 1.00 0.00 H new ATOM 960 N SER A 69 -19.758 -6.148 -4.560 1.00 0.00 N ATOM 961 CA SER A 69 -20.732 -6.165 -5.646 1.00 0.00 C ATOM 962 C SER A 69 -20.122 -6.760 -6.912 1.00 0.00 C ATOM 963 O SER A 69 -20.335 -6.255 -8.013 1.00 0.00 O ATOM 964 CB SER A 69 -21.240 -4.750 -5.927 1.00 0.00 C ATOM 965 OG SER A 69 -22.478 -4.780 -6.616 1.00 0.00 O ATOM 0 H SER A 69 -20.055 -6.644 -3.720 1.00 0.00 H new ATOM 0 HA SER A 69 -21.571 -6.789 -5.339 1.00 0.00 H new ATOM 0 HB2 SER A 69 -21.356 -4.209 -4.988 1.00 0.00 H new ATOM 0 HB3 SER A 69 -20.504 -4.207 -6.519 1.00 0.00 H new ATOM 0 HG SER A 69 -22.380 -5.296 -7.443 1.00 0.00 H new ATOM 971 N GLY A 70 -19.362 -7.839 -6.745 1.00 0.00 N ATOM 972 CA GLY A 70 -18.733 -8.486 -7.882 1.00 0.00 C ATOM 973 C GLY A 70 -19.706 -8.742 -9.015 1.00 0.00 C ATOM 974 O GLY A 70 -20.550 -9.634 -8.927 1.00 0.00 O ATOM 0 H GLY A 70 -19.171 -8.276 -5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -17.915 -7.863 -8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.296 -9.432 -7.562 1.00 0.00 H new TER 978 GLY A 70